data_2kav_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 2kav _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 1791 ' ' SER . . . . . 0.525 ' N ' ' OD2' ' A' 1794 ' ' ASP . 24.2 t . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 1.0 110.539 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1792 ' ' GLU . . . . . 0.495 ' H ' ' CD ' ' A' 1792 ' ' GLU . 2.9 mp0 -60.24 -36.66 78.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -48.43 -28.07 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1794 ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' 1791 ' ' SER . 8.4 m-20 -78.49 -43.01 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.425 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -51.6 -50.18 60.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.639 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.24 -44.15 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.74 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1797 ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' 1797 ' ' MET . 15.6 tmm? -58.28 -35.95 72.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.442 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.7 t80 -61.84 -41.09 97.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -69.62 -31.88 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.49 -43.51 96.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.412 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 18.6 t -76.33 -38.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 119.966 -0.694 . . . . 1.0 109.257 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -54.19 -43.27 70.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.554 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.33 -30.04 59.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.735 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 48.8 mttm -69.83 -34.98 74.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.392 0.615 . . . . 1.0 112.421 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -95.95 -7.79 35.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.003 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -159.01 87.67 2.18 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.527 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.79 -2.58 10.96 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.388 2.059 . . . . 1.0 111.484 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -87.39 -8.56 56.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.326 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.29 29.11 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.301 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 1.3 t -68.29 -31.93 71.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.122 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 74.67 20.28 2.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.294 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -130.76 153.62 48.84 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.16 148.18 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 118.852 0.751 . . . . 1.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.88 143.43 31.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1815 ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' 1815 ' ' PHE . 25.3 t80 -58.48 -44.28 89.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.676 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.67 35.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.41 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -104.16 -4.05 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.001 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.0 tp -68.43 -49.18 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.199 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.2 p -50.11 -34.21 21.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.117 -0.633 . . . . 1.0 110.273 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1820 ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' 1820 ' ' ASP . 0.5 OUTLIER -71.75 -60.71 2.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 59.8 t80 -46.86 -44.93 19.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.633 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.17 21.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.24 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1823 ' ' ASP . . . . . 0.533 ' OD2' ' NZ ' ' A' 1833 ' ' LYS . 1.1 p30 -96.45 4.67 51.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.371 0.605 . . . . 1.0 109.964 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -88.82 -22.71 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.907 -1.042 . . . . 1.0 110.287 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.76 168.05 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.189 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -114.0 150.31 43.32 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.023 -0.732 . . . . 1.0 109.023 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -47.35 148.19 5.25 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 120.939 1.092 . . . . 1.0 110.867 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -88.29 46.76 1.1 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.9 1.0 . . . . 1.0 112.357 -0.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 20.0 mt -132.17 -3.3 3.51 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.94 0.4 . . . . 1.0 110.704 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.6 tp -80.9 124.05 28.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 1.0 112.399 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 64.7 mt -113.91 104.89 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 106.797 -1.557 . . . . 1.0 106.797 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.552 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.8 151.41 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 1.0 111.661 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1833 ' ' LYS . . . . . 0.533 ' NZ ' ' OD2' ' A' 1823 ' ' ASP . 0.0 OUTLIER -89.66 160.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 107.048 -1.464 . . . . 1.0 107.048 177.34 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1834 ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1836 ' ' LYS . 40.2 Cg_endo -88.77 38.56 3.48 Favored 'Cis proline' 0 N--CA 1.496 1.661 0 C-N-CA 124.822 -0.907 . . . . 1.0 114.111 1.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' 1832 ' ' ALA . 74.5 m-20 -67.91 69.68 0.13 Allowed 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.884 -1.126 . . . . 1.0 111.261 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1836 ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' 1834 ' ' PRO . 3.2 ttmp? -80.32 -33.65 37.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.227 -0.897 . . . . 1.0 111.188 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 24.3 t -60.93 -48.85 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.232 -1.349 . . . . 1.0 110.034 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1838 ' ' GLN . . . . . 0.401 ' NE2' HH22 ' A' 1864 ' ' ARG . 20.8 mt-30 -49.81 -25.61 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.022 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 15.4 mt -77.11 -36.48 55.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.517 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.94 -40.31 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.24 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.515 0.326 . . . . 1.0 110.798 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1842 ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' 1842 ' ' MET . 3.2 ppp? . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 120.623 0.249 . . . . 1.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.517 0.675 . . . . 1.0 112.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -83.68 125.41 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.514 -1.221 . . . . 1.0 112.249 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 52.6 t -60.62 -43.76 97.12 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.248 -0.181 . . . . 1.0 110.617 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.88 -36.61 62.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.063 -0.655 . . . . 1.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.92 -45.09 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.202 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.57 -44.27 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.25 -49.31 76.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.432 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1859 ' ' PHE . . . . . 0.445 ' O ' ' OG1' ' A' 1862 ' ' THR . 0.1 OUTLIER -63.71 -51.63 64.17 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.437 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -53.99 -35.47 61.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.049 -0.661 . . . . 1.0 110.756 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.29 -26.92 60.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.568 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1862 ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' 1859 ' ' PHE . 23.6 p -77.13 -35.65 56.07 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -73.75 -49.05 27.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.324 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1864 ' ' ARG . . . . . 0.401 HH22 ' NE2' ' A' 1838 ' ' GLN . 50.0 ttt180 -52.58 -41.55 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.428 0.632 . . . . 1.0 111.629 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 114.942 -1.026 . . . . 1.0 110.94 179.057 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.874 0.369 . . . . 1.0 110.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.76 -30.51 63.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.38 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.43 -29.09 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.627 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.73 -43.37 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -50.8 -49.18 59.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.985 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.86 -48.9 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1797 ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' 1797 ' ' MET . 17.5 tmm? -55.58 -36.6 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.473 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1798 ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.4 t80 -61.92 -42.33 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.476 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.56 -31.89 69.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 1.0 110.042 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.55 -40.93 88.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.153 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 26.3 t -78.06 -38.97 24.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1802 ' ' TRP . . . . . 0.434 ' CZ3' ' SG ' ' A' 1854 ' ' CYS . 28.4 t-105 -54.6 -42.97 71.76 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.108 -0.637 . . . . 1.0 110.715 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -55.33 -29.92 59.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.494 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -68.1 -35.3 77.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.369 0.604 . . . . 1.0 112.422 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -96.48 -6.75 36.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.842 -1.072 . . . . 1.0 111.297 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -157.11 86.01 2.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.29 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -82.5 -5.01 11.73 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.279 1.986 . . . . 1.0 111.848 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.68 -4.91 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.182 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.59 28.41 16.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 2.8 p -68.54 -31.56 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.229 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 73.64 22.15 2.66 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.998 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -130.56 152.93 49.4 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.46 146.27 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.77 0.714 . . . . 1.0 109.714 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.33 144.27 30.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -58.14 -43.96 87.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.971 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -53.58 -25.32 16.76 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.315 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.1 3.7 22.25 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.432 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.1 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.218 -0.593 . . . . 1.0 109.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.1 p -66.63 -34.85 78.78 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.6 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.63 -24.02 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 51.6 t80 -82.3 -47.73 12.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.902 -1.044 . . . . 1.0 111.066 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.82 31.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.352 -0.84 . . . . 1.0 112.55 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1823 ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' 1823 ' ' ASP . 7.6 t0 -94.28 2.41 55.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.028 0.442 . . . . 1.0 110.136 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.64 26.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.086 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 84.2 mt -72.53 168.92 17.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 1.0 110.804 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -115.14 149.99 43.56 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.477 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -45.25 148.42 1.9 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.448 1.432 . . . . 1.0 111.518 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -89.55 49.49 0.98 Allowed 'Cis proline' 0 N--CA 1.5 1.887 0 CA-C-N 119.777 0.956 . . . . 1.0 111.99 -0.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.22 -2.84 3.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.214 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 19.9 tp -82.37 122.85 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 1.0 112.357 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.48 ' CG2' ' OD1' ' A' 1835 ' ' ASN . 16.0 mt -112.31 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.01 152.38 16.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.141 0.496 . . . . 1.0 112.113 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1833 ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' 1835 ' ' ASN . 32.1 mttm -96.01 156.82 36.71 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 108.787 -0.82 . . . . 1.0 108.787 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.06 118.45 5.78 Favored 'Cis proline' 0 N--CA 1.499 1.837 0 C-N-CA 124.294 -1.128 . . . . 1.0 112.647 0.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.703 ' H ' HD21 ' A' 1835 ' ' ASN . 0.0 OUTLIER -138.73 67.11 1.41 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.889 -0.724 . . . . 1.0 111.447 178.39 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -83.8 -34.49 24.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.077 0.942 . . . . 1.0 110.507 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 12.1 t -63.62 -47.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 113.634 -1.621 . . . . 1.0 110.165 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -50.34 -26.28 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.193 -0.603 . . . . 1.0 109.552 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.68 -35.6 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.114 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 77.5 mt -74.75 -41.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.386 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.18 -28.19 64.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.416 -0.178 . . . . 1.0 110.765 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.162 0.506 . . . . 1.0 111.569 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -82.81 123.76 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 1.0 111.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1854 ' ' CYS . . . . . 0.434 ' SG ' ' CZ3' ' A' 1802 ' ' TRP . 29.7 t -63.34 -35.76 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.478 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.45 -39.43 79.84 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.236 -0.586 . . . . 1.0 109.484 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.44 -44.75 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.267 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1857 ' ' ILE . . . . . 0.417 HG21 HD12 ' A' 1857 ' ' ILE . 96.8 mt -58.07 -44.97 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.056 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.59 -49.69 74.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 1.0 111.387 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 18.0 t80 -70.12 -36.3 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.33 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.956 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.19 -21.52 58.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.94 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.7 m -77.63 -32.95 53.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.0 0.428 . . . . 1.0 110.277 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -79.17 -46.04 18.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -51.02 -41.44 59.81 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.5 0.556 . . . . 1.0 112.5 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.872 -179.248 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.829 0.347 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.99 -32.48 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.626 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1793 ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' 1794 ' ' ASP . 28.4 p-10 -48.36 -28.83 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.469 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1794 ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.0 m-20 -78.13 -42.99 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.458 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -51.26 -49.85 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.235 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.85 -51.06 52.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 38.7 ttp -52.64 -35.36 54.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.6 -39.9 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.448 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -70.39 -31.51 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.026 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -60.51 -45.57 93.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 1.0 110.275 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.6 t -72.48 -38.74 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 119.842 -0.743 . . . . 1.0 109.211 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.13 -42.14 76.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.383 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -56.72 -28.58 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.461 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 53.1 mttm -68.62 -34.65 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 1.0 112.359 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -98.05 -4.76 35.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.089 -0.96 . . . . 1.0 111.093 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.407 ' OD1' ' OG1' ' A' 1810 ' ' THR . 38.0 t0 -154.75 82.82 4.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.672 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.58 -7.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.214 1.943 . . . . 1.0 111.882 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.86 -4.92 58.82 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.262 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.43 26.78 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' 1806 ' ' ASP . 13.7 p -66.38 -31.31 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 75.7 20.53 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.648 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -130.76 155.9 45.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.081 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.43 147.16 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -80.35 141.02 35.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.793 0.33 . . . . 1.0 111.161 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.99 -45.22 79.05 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.397 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.28 -23.81 38.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 1.0 110.726 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -107.28 0.38 23.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.103 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.67 -24.67 63.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.85 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1819 ' ' SER . . . . . 0.527 ' OG ' ' NZ ' ' A' 1836 ' ' LYS . 60.9 m -74.43 -34.93 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 58.0 t0 -68.97 -22.5 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 56.8 t80 -82.81 -47.39 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.666 -1.152 . . . . 1.0 111.02 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.77 34.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.578 -0.737 . . . . 1.0 112.539 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -93.72 1.95 56.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.926 0.393 . . . . 1.0 110.137 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.77 -26.36 27.62 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.145 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.67 164.72 26.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.127 0.489 . . . . 1.0 110.7 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1826 ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.1 OUTLIER -110.71 152.56 43.55 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.07 178.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -46.46 146.83 4.69 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.035 1.157 . . . . 1.0 110.81 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -88.77 47.33 1.09 Allowed 'Cis proline' 0 N--CA 1.502 2.004 0 CA-C-N 120.011 1.04 . . . . 1.0 112.078 0.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 80.1 mt -131.79 -3.06 3.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.912 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.4 tp -81.56 122.64 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.509 . . . . 1.0 112.167 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.459 ' CG2' ' ND2' ' A' 1835 ' ' ASN . 67.7 mt -115.27 106.45 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 107.663 -1.236 . . . . 1.0 107.663 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.92 150.73 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.651 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.23 159.27 30.56 Favored Pre-proline 0 N--CA 1.464 0.236 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.49 121.16 7.76 Favored 'Cis proline' 0 N--CA 1.502 2.028 0 C-N-CA 124.41 -1.079 . . . . 1.0 112.416 0.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.459 ' ND2' ' CG2' ' A' 1831 ' ' ILE . 15.6 p-10 -138.09 67.56 1.41 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.332 -0.947 . . . . 1.0 112.327 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1836 ' ' LYS . . . . . 0.527 ' NZ ' ' OG ' ' A' 1819 ' ' SER . 15.1 tptt -82.95 -32.73 26.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.955 0.883 . . . . 1.0 110.132 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.2 t -68.4 -31.42 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 113.702 -1.59 . . . . 1.0 110.268 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -67.1 -30.1 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 1.0 109.228 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -79.83 -33.63 40.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.648 -1.16 . . . . 1.0 111.333 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1840 ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' 1842 ' ' MET . 85.9 mt -74.49 -41.47 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 120.593 -0.443 . . . . 1.0 110.564 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -71.77 40.01 0.07 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.154 -0.341 . . . . 1.0 111.157 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1842 ' ' MET . . . . . 0.507 ' H ' ' C ' ' A' 1840 ' ' ILE . 1.9 ppp? . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 1.0 109.831 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1852 ' ' ILE . . . . . 0.427 HD11 HG22 ' A' 1852 ' ' ILE . 11.0 mt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 1.0 112.29 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -103.8 122.63 45.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.065 -0.971 . . . . 1.0 111.045 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 8.3 t -61.85 -43.51 98.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.934 -0.121 . . . . 1.0 111.139 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.58 -37.8 51.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.5 -44.89 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -46.08 85.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.528 -0.305 . . . . 1.0 110.588 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.45 -50.36 74.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.119 0.485 . . . . 1.0 111.102 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.93 -34.03 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.682 -0.69 . . . . 1.0 111.572 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.92 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.926 -0.71 . . . . 1.0 111.265 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -75.11 -26.14 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.734 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.2 m -74.08 -34.26 63.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.042 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1863 ' ' LYS . . . . . 0.444 ' NZ ' ' CB ' ' A' 1863 ' ' LYS . 6.6 ttpm? -77.83 -45.82 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.4 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -51.78 -41.64 61.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.276 0.56 . . . . 1.0 111.458 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 94.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.099 -0.955 . . . . 1.0 110.682 178.527 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1792 ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' 1792 ' ' GLU . 5.1 mp0 -70.16 -38.64 75.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 1.0 110.255 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -48.45 -28.55 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.1 -45.8 46.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.428 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -50.12 -48.87 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.051 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.59 -52.43 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -37.35 69.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.506 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1798 ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.8 t80 -62.65 -42.38 99.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.76 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -71.61 -31.19 66.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.45 -41.65 97.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.147 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 42.3 t -74.76 -38.81 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -58.85 -39.64 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.628 -0.829 . . . . 1.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.33 -30.76 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.458 . . . . 1.0 112.235 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -68.7 -27.33 65.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.54 0.686 . . . . 1.0 110.692 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -67.07 -73.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.791 -1.095 . . . . 1.0 111.353 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.41 115.94 33.85 Favored Pre-proline 0 CA--C 1.54 0.582 0 O-C-N 122.365 -0.209 . . . . 1.0 110.578 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -80.84 6.44 5.52 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.081 1.854 . . . . 1.0 112.057 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -81.06 -18.95 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.168 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 70.89 27.31 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 1.0 110.237 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1811 ' ' GLN . 12.3 p -67.37 -32.91 74.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.674 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1811 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 1810 ' ' THR . 1.6 tp-100 78.94 18.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -127.59 154.91 44.64 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.709 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.2 tt -140.49 147.05 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -78.23 135.09 37.52 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.482 0.549 . . . . 1.0 112.482 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.92 -44.42 66.98 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.996 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.73 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.089 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -112.03 6.7 19.46 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.418 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.42 -29.34 67.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.829 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.4 p -67.56 -34.67 77.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.62 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.89 -26.11 65.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 63.5 t80 -79.58 -48.65 13.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.623 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.3 -37.34 35.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.237 -0.892 . . . . 1.0 112.099 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.73 1.2 56.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.884 0.373 . . . . 1.0 110.486 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.88 -24.15 24.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.146 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.03 166.71 23.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.99 150.02 41.76 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.154 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1827 ' ' PRO . . . . . 0.401 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.6 Cg_exo -45.92 148.9 2.45 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.247 1.298 . . . . 1.0 111.021 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -88.23 47.28 1.03 Allowed 'Cis proline' 0 N--CA 1.5 1.876 0 CA-C-N 119.72 0.936 . . . . 1.0 112.188 -0.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1829 ' ' LEU . . . . . 0.401 ' H ' ' HA ' ' A' 1827 ' ' PRO . 10.5 mt -131.61 -3.75 3.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.541 0.21 . . . . 1.0 110.732 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.89 124.21 28.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.157 0.503 . . . . 1.0 112.183 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.415 ' CG2' ' NE2' ' A' 1838 ' ' GLN . 21.9 mt -115.76 106.16 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 107.85 -1.167 . . . . 1.0 107.85 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.13 149.9 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 1.0 111.467 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -97.72 155.98 36.56 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.94 126.9 13.55 Favored 'Cis proline' 0 N--CA 1.503 2.086 0 C-N-CA 124.643 -0.982 . . . . 1.0 112.689 0.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.418 HD21 ' N ' ' A' 1835 ' ' ASN . 0.4 OUTLIER -143.07 66.77 1.31 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.154 -1.018 . . . . 1.0 111.978 177.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -82.6 -31.64 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.001 0.905 . . . . 1.0 110.257 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 10.9 t -67.64 -32.8 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 113.821 -1.536 . . . . 1.0 110.629 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1838 ' ' GLN . . . . . 0.415 ' NE2' ' CG2' ' A' 1831 ' ' ILE . 23.3 mt-30 -69.15 -30.32 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.554 . . . . 1.0 110.035 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.92 -34.86 44.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.362 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.83 -41.45 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -61.45 -25.82 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.586 0.231 . . . . 1.0 110.841 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--N 1.327 -0.39 0 C-N-CA 122.605 0.362 . . . . 1.0 111.389 179.334 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 121.46 0.648 . . . . 1.0 112.21 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -69.96 121.48 17.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.712 -1.131 . . . . 1.0 110.763 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 32.1 t -58.95 -42.83 90.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.62 -41.5 61.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.721 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.59 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.293 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.32 -44.81 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.197 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.1 tp -64.12 -50.73 67.11 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.692 0.282 . . . . 1.0 110.927 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -66.2 -39.67 89.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.08 0.467 . . . . 1.0 110.788 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.05 90.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -74.54 -22.12 59.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.802 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.3 p -80.26 -31.83 38.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.118 0.485 . . . . 1.0 109.989 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -79.13 -46.65 17.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -51.67 -41.03 61.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 3.3 t . . . . . 0 N--CA 1.467 0.401 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.236 -178.758 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.52 -31.93 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -48.47 -30.73 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.675 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.95 -42.88 37.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.599 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -51.25 -50.0 60.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.182 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.67 -51.74 46.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.753 0.311 . . . . 1.0 110.416 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 54.6 ttp -52.47 -34.9 51.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.369 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1798 ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' 1798 ' ' PHE . 33.1 t80 -64.15 -40.25 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.16 -30.77 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.354 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -61.91 -44.25 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 1.0 110.423 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 25.0 t -72.83 -38.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 119.851 -0.74 . . . . 1.0 109.132 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -56.23 -41.98 76.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.994 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.21 -29.06 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.593 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.23 -34.24 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.548 0.689 . . . . 1.0 112.239 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.39 -5.06 37.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.868 -1.06 . . . . 1.0 111.054 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' 1811 ' ' GLN . 52.2 t0 -154.1 82.52 4.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 1.0 110.551 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.75 -9.3 13.31 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.358 2.039 . . . . 1.0 112.315 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -85.94 -4.42 59.16 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.92 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 64.97 25.96 12.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.335 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.428 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 11.0 p -67.27 -32.71 73.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1811 ' ' GLN . . . . . 0.488 ' O ' ' SG ' ' A' 1854 ' ' CYS . 0.0 OUTLIER 77.95 20.02 1.04 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.521 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -129.07 154.44 46.67 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.229 -0.656 . . . . 1.0 109.229 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 9.6 tt -140.12 147.56 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.967 -0.458 . . . . 1.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1814 ' ' GLU . . . . . 0.521 ' CD ' ' HZ3' ' A' 1817 ' ' LYS . 50.9 mt-10 -79.02 136.81 37.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.918 0.39 . . . . 1.0 111.584 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -52.23 -45.39 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.083 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.03 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1817 ' ' LYS . . . . . 0.521 ' HZ3' ' CD ' ' A' 1814 ' ' GLU . 35.0 mtmm -107.86 4.43 25.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.981 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.8 tp -70.9 -22.28 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.407 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 2.3 m -77.42 -35.0 54.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.011 0.434 . . . . 1.0 109.894 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.25 -24.27 64.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.0 109.294 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 61.6 t80 -81.22 -48.01 12.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.911 -1.041 . . . . 1.0 110.906 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.54 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.59 -0.732 . . . . 1.0 112.484 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.23 1.4 56.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.852 0.358 . . . . 1.0 110.469 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.47 26.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.954 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.4 165.67 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.15 0.5 . . . . 1.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.85 157.9 37.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.259 -1.015 . . . . 1.0 108.259 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1827 ' ' PRO . . . . . 0.432 ' HA ' ' H ' ' A' 1829 ' ' LEU . 15.9 Cg_endo -55.62 147.62 58.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.024 1.816 . . . . 1.0 110.554 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -88.06 48.11 0.94 Allowed 'Cis proline' 0 N--CA 1.5 1.893 0 CA-C-N 119.758 0.949 . . . . 1.0 112.879 0.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1829 ' ' LEU . . . . . 0.432 ' H ' ' HA ' ' A' 1827 ' ' PRO . 67.1 mt -130.75 -3.11 4.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.82 0.343 . . . . 1.0 110.147 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.72 123.22 28.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.572 0.582 . . . . 1.0 112.572 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 23.9 mt -114.11 105.76 19.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.061 -1.459 . . . . 1.0 107.061 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -58.22 150.88 20.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.197 0.523 . . . . 1.0 111.938 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 32.1 mttm -96.44 158.15 34.28 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.59 118.41 5.77 Favored 'Cis proline' 0 N--CA 1.499 1.802 0 C-N-CA 124.749 -0.938 . . . . 1.0 112.347 -0.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' 1835 ' ' ASN . 8.6 p-10 -142.03 67.26 1.33 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 119.327 -0.949 . . . . 1.0 111.681 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 47.1 tttt -83.5 -31.58 26.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.322 1.058 . . . . 1.0 110.292 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 20.1 t -64.11 -47.81 88.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 113.328 -1.76 . . . . 1.0 110.724 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -51.06 -26.65 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.345 0.593 . . . . 1.0 109.42 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.45 -34.88 47.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.955 -1.021 . . . . 1.0 111.476 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1840 ' ' ILE . . . . . 0.476 ' C ' ' H ' ' A' 1842 ' ' MET . 82.8 mt -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.335 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.31 42.36 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.573 0.225 . . . . 1.0 110.471 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1842 ' ' MET . . . . . 0.476 ' H ' ' C ' ' A' 1840 ' ' ILE . 7.5 mtt . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 122.638 0.375 . . . . 1.0 110.47 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 121.466 0.65 . . . . 1.0 111.648 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -77.04 121.73 23.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1854 ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' 1811 ' ' GLN . 5.1 p -60.03 -44.32 94.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.103 -0.498 . . . . 1.0 111.033 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.34 -38.61 54.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.152 -0.619 . . . . 1.0 110.159 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 19.9 t0 -73.32 -43.03 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.582 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.23 -44.98 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.2 -50.47 73.91 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.086 0.47 . . . . 1.0 110.992 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.44 -29.39 70.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.469 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.42 69.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 1.0 111.315 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.69 -30.81 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.593 -1.185 . . . . 1.0 110.306 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 52.2 m -71.96 -34.1 68.71 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 120.395 -0.522 . . . . 1.0 109.768 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 60.9 tttt -77.78 -46.09 22.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.165 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -52.13 -41.91 62.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.264 0.554 . . . . 1.0 111.572 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.823 178.784 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.464 0.238 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1792 ' ' GLU . . . . . 0.541 ' H ' ' CD ' ' A' 1792 ' ' GLU . 1.4 pm0 -44.3 -31.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 1.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -48.47 -33.1 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.576 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -72.7 -44.61 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.557 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -50.23 -48.63 54.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.029 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.12 -53.33 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.255 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.7 -35.98 64.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.772 0.32 . . . . 1.0 110.454 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -70.23 -30.8 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.83 -41.11 95.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.253 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 34.6 t -76.42 -39.0 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -54.7 -42.75 71.82 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.739 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.91 -29.6 42.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.566 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.1 -35.55 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.793 0.664 . . . . 1.0 112.793 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -94.88 -8.14 38.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.354 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.4 88.1 1.82 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.703 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.07 -1.25 10.32 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.372 2.048 . . . . 1.0 111.479 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1808 ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' 1808 ' ' ASP . 54.1 t0 -87.99 -7.85 56.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.273 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.21 28.11 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 10.8 p -68.69 -31.97 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.05 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 75.13 22.06 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -129.36 151.83 49.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.67 146.64 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -80.22 141.42 35.63 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.08 -44.71 79.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.15 -23.82 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.813 0.339 . . . . 1.0 110.662 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.46 0.05 24.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.264 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -68.9 -24.58 64.33 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.378 -0.529 . . . . 1.0 110.525 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1819 ' ' SER . . . . . 0.536 ' O ' ' NZ ' ' A' 1833 ' ' LYS . 30.8 p -74.69 -35.71 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.385 -0.526 . . . . 1.0 110.103 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -68.82 -23.54 64.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.84 -47.35 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.188 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.05 -37.19 32.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.136 -0.938 . . . . 1.0 112.701 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.06 3.09 55.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.096 0.475 . . . . 1.0 110.134 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.66 -25.28 26.66 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.362 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 78.5 mt -72.44 166.47 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.69 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.62 151.38 43.31 Favored Pre-proline 0 N--CA 1.465 0.309 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -46.4 146.75 4.66 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.202 1.268 . . . . 1.0 111.049 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.71 48.44 0.98 Allowed 'Cis proline' 0 N--CA 1.501 1.956 0 CA-C-N 119.936 1.013 . . . . 1.0 112.05 -0.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 85.1 mt -132.75 -3.64 3.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.66 0.267 . . . . 1.0 110.917 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.1 tp -80.63 124.87 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 55.6 mt -115.16 104.63 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 107.355 -1.35 . . . . 1.0 107.355 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.561 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.36 151.33 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1833 ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' 1819 ' ' SER . 39.5 mttp -91.69 155.94 43.28 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -87.63 105.33 0.61 Allowed 'Cis proline' 0 N--CA 1.5 1.883 0 C-N-CA 124.889 -0.88 . . . . 1.0 113.273 1.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' 1832 ' ' ALA . 94.1 m-20 -131.18 68.59 1.49 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.249 0.931 . . . . 1.0 111.732 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 42.2 tttt -80.61 -32.32 36.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.116 0.96 . . . . 1.0 110.367 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 44.5 t -64.81 -45.58 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 113.718 -1.583 . . . . 1.0 109.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -51.05 -26.63 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.173 0.511 . . . . 1.0 109.67 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.18 -34.72 49.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.732 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 87.1 mt -73.67 -43.1 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.849 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.12 64.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.194 -0.316 . . . . 1.0 110.964 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 27.6 mmm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.609 0.242 . . . . 1.0 111.273 179.889 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1853 ' ' HIS . . . . . 0.439 ' O ' ' OD2' ' A' 1856 ' ' ASP . 7.0 t-80 -105.12 121.47 43.89 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.987 0.422 . . . . 1.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.6 p -37.06 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 1.0 112.15 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1855 ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' 1853 ' ' HIS . 12.9 mt -53.78 -42.18 68.03 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.811 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1856 ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' 1857 ' ' ILE . 2.6 p30 -74.14 -37.05 64.17 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.247 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1857 ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' 1856 ' ' ASP . 19.5 mt -63.28 -42.8 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.751 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.43 -49.24 76.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.215 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.06 -41.6 86.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.955 -0.298 . . . . 1.0 111.207 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.605 -0.438 . . . . 1.0 111.688 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.22 -25.03 57.84 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.586 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 16.0 p -75.08 -31.8 61.32 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1863 ' ' LYS . . . . . 0.511 ' NZ ' ' CB ' ' A' 1863 ' ' LYS . 4.6 ttpm? -78.88 -45.52 20.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.303 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -50.93 -40.98 58.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.456 0.646 . . . . 1.0 111.331 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 40.6 t . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.993 178.406 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.735 0.302 . . . . 1.0 110.431 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1792 ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' 1792 ' ' GLU . 7.5 pm0 -56.81 -30.04 63.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.188 0.518 . . . . 1.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1793 ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' 1794 ' ' ASP . 50.1 p-10 -48.66 -27.49 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.481 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1794 ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.8 m-20 -78.75 -43.78 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.524 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -50.92 -49.62 59.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.6 -51.08 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 110.307 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 44.9 ttp -52.87 -36.82 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.263 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -62.01 -42.16 98.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.454 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1799 ' ' TYR . . . . . 0.427 ' O ' ' OE2' ' A' 1803 ' ' GLU . 49.4 m-85 -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.112 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -60.63 -43.6 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.449 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.3 t -74.93 -38.34 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.529 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1802 ' ' TRP . . . . . 0.59 ' CZ3' ' SG ' ' A' 1854 ' ' CYS . 14.6 t-105 -59.92 -38.71 83.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.843 -0.743 . . . . 1.0 111.641 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1803 ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' 1803 ' ' GLU . 0.1 OUTLIER -64.98 -29.79 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.1 -0.24 . . . . 1.0 111.383 -178.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 56.7 mttp -68.18 -28.61 67.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.797 0.808 . . . . 1.0 110.777 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.03 -73.99 0.13 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.328 -1.305 . . . . 1.0 111.738 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.597 ' C ' ' H ' ' A' 1808 ' ' ASP . 77.1 m-20 -118.63 86.66 29.95 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.27 -0.269 . . . . 1.0 110.992 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.49 3.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 122.746 2.297 . . . . 1.0 113.029 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1808 ' ' ASP . . . . . 0.597 ' H ' ' C ' ' A' 1806 ' ' ASP . 52.3 t0 -81.98 -15.12 54.81 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 69.57 26.34 5.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.212 0.53 . . . . 1.0 110.169 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.5 p -66.58 -33.08 74.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.601 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 75.55 16.27 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -127.04 156.76 41.14 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.4 tt -143.09 147.21 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 118.43 0.559 . . . . 1.0 109.865 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1814 ' ' GLU . . . . . 0.469 ' CD ' ' N ' ' A' 1814 ' ' GLU . 23.0 mp0 -80.57 140.51 35.76 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.363 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.78 -45.34 70.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.651 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.51 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 65.2 mttm -107.19 1.6 24.15 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.917 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 67.8 tp -67.22 -27.97 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.096 -0.641 . . . . 1.0 110.984 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1819 ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' 1823 ' ' ASP . 47.6 m -70.33 -35.27 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.206 -0.597 . . . . 1.0 110.471 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.17 -25.66 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 62.3 t80 -79.81 -48.83 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.124 -0.944 . . . . 1.0 110.422 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.67 36.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.955 -1.021 . . . . 1.0 112.171 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1823 ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' 1819 ' ' SER . 4.2 p30 -94.01 1.61 56.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.964 0.412 . . . . 1.0 110.519 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.47 -25.77 26.7 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.057 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.24 166.44 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1826 ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' A' 1826 ' ' ASP . 0.7 OUTLIER -112.08 151.26 43.47 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.214 178.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.09 147.63 3.49 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.28 1.32 . . . . 1.0 111.118 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -89.25 48.25 1.06 Allowed 'Cis proline' 0 N--CA 1.499 1.828 0 CA-C-N 119.874 0.991 . . . . 1.0 112.124 -0.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 72.3 mt -132.7 -3.06 3.3 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.654 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.0 tp -81.55 123.64 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.459 0.54 . . . . 1.0 112.459 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 28.5 mt -113.5 103.59 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 1.0 107.089 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.575 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -57.78 151.78 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.976 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.46 159.82 32.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 107.67 -1.233 . . . . 1.0 107.67 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.72 102.06 0.37 Allowed 'Cis proline' 0 N--CA 1.499 1.797 0 C-N-CA 124.64 -0.983 . . . . 1.0 113.291 1.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.575 ' ND2' ' O ' ' A' 1832 ' ' ALA . 5.9 m-80 -127.53 69.05 1.3 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.387 0.994 . . . . 1.0 111.504 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1836 ' ' LYS . . . . . 0.447 ' NZ ' ' CB ' ' A' 1836 ' ' LYS . 2.5 ttmp? -80.68 -31.16 36.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.318 1.056 . . . . 1.0 110.061 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 14.6 t -64.79 -47.04 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 113.267 -1.788 . . . . 1.0 110.298 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -50.34 -25.87 4.29 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.14 -35.14 49.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.084 -0.962 . . . . 1.0 110.913 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 81.3 mt -74.11 -41.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.448 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -59.29 -27.84 66.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.346 -0.221 . . . . 1.0 111.021 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 21.4 mmm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 1.0 111.3 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1852 ' ' ILE . . . . . 0.411 HD12 HG23 ' A' 1852 ' ' ILE . 38.8 mt . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 1.0 112.453 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1853 ' ' HIS . . . . . 0.421 ' CE1' ' HG ' ' A' 1855 ' ' LEU . 5.7 t-160 -79.45 122.01 25.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.957 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1854 ' ' CYS . . . . . 0.59 ' SG ' ' CZ3' ' A' 1802 ' ' TRP . 33.2 t -63.42 -33.51 75.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.598 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1855 ' ' LEU . . . . . 0.421 ' HG ' ' CE1' ' A' 1853 ' ' HIS . 0.2 OUTLIER -51.39 -43.98 62.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -45.89 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.81 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.19 -46.15 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.29 -50.56 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 111.14 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.8 t80 -67.76 -36.21 80.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.386 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.74 81.11 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.26 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -74.86 -48.07 26.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.138 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 21.6 p -52.02 -32.59 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 1.0 109.877 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -79.23 -46.04 18.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -51.12 -41.34 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.927 -179.131 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 1.0 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.87 -29.53 70.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.531 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.37 -29.71 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.504 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.8 -42.09 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.417 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.55 -49.66 61.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.928 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1796 ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' 1800 ' ' GLU . 39.9 mt-10 -69.04 -50.27 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 1.0 110.59 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 34.5 ttp -52.29 -34.77 48.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 29.8 t80 -63.92 -38.44 91.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.265 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.82 -32.36 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1800 ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' 1800 ' ' GLU . 0.3 OUTLIER -61.0 -43.86 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.064 -0.347 . . . . 1.0 110.064 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.3 t -73.6 -38.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.959 -0.696 . . . . 1.0 109.158 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -55.2 -42.33 73.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.791 -0.641 . . . . 1.0 111.01 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.41 -29.26 58.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.561 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 55.4 mttm -69.22 -35.45 76.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.597 0.592 . . . . 1.0 112.597 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.09 -6.15 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.015 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.429 ' OD2' ' OG1' ' A' 1810 ' ' THR . 42.9 t0 -155.44 84.7 3.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.096 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.46 -6.51 12.72 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.218 1.945 . . . . 1.0 111.652 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1808 ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' 1808 ' ' ASP . 10.8 t70 -88.84 -5.56 57.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.61 27.98 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 1.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.429 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 3.2 p -67.32 -31.5 71.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 74.15 20.66 2.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -129.95 153.61 48.19 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.909 -0.774 . . . . 1.0 108.909 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -143.05 147.78 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 118.77 0.713 . . . . 1.0 110.072 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -81.82 142.09 32.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.92 -44.46 82.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.717 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.26 -24.32 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.007 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -105.83 -0.32 25.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.489 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 63.9 tp -67.08 -30.68 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.228 -0.589 . . . . 1.0 110.661 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1819 ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' 1820 ' ' ASP . 26.3 p -68.56 -35.63 77.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.262 -0.575 . . . . 1.0 110.373 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1820 ' ' ASP . . . . . 0.524 ' N ' ' HG ' ' A' 1819 ' ' SER . 79.5 m-20 -69.89 -24.88 63.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 54.0 t80 -81.86 -48.04 12.05 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.781 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.25 -37.26 22.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.043 -0.981 . . . . 1.0 112.383 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.49 3.45 55.12 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.983 0.42 . . . . 1.0 110.13 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.8 -25.81 26.11 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.31 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 76.6 mt -72.14 167.0 21.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.91 150.41 42.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.65 148.08 3.95 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.311 1.341 . . . . 1.0 111.041 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -88.87 48.04 1.04 Allowed 'Cis proline' 0 N--CA 1.501 1.969 0 CA-C-N 119.936 1.013 . . . . 1.0 112.238 -0.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 36.5 mt -132.7 -3.54 3.28 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.864 0.364 . . . . 1.0 110.642 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 13.9 tp -80.54 124.11 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.34 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 31.1 mt -113.94 104.12 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 107.297 -1.372 . . . . 1.0 107.297 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.579 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -58.27 150.89 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.876 -0.329 . . . . 1.0 111.035 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -94.34 159.95 32.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -85.69 101.88 0.36 Allowed 'Cis proline' 0 N--CA 1.498 1.737 0 C-N-CA 124.728 -0.947 . . . . 1.0 113.44 1.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' 1832 ' ' ALA . 10.8 m-80 -129.25 68.82 1.41 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.309 0.959 . . . . 1.0 111.484 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 43.3 tttt -80.35 -31.19 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.394 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 30.6 t -63.67 -47.55 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 113.464 -1.698 . . . . 1.0 110.16 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -50.47 -26.37 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.325 0.583 . . . . 1.0 109.526 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.43 -36.1 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.796 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.7 mt -73.88 -41.29 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.313 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.48 41.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.552 0.215 . . . . 1.0 110.638 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 30.3 mtm . . . . . 0 N--CA 1.465 0.302 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.646 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 24.6 mt . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.22 0.533 . . . . 1.0 112.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.22 123.21 29.36 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.09 -0.959 . . . . 1.0 111.888 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.4 p -63.77 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.814 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.17 -38.84 87.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.5 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1856 ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' 1856 ' ' ASP . 2.2 m-20 -71.51 -44.73 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.181 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.34 -45.14 85.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.61 -49.75 73.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.27 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 80.7 t80 -67.1 -45.14 78.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.744 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.0 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.194 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -76.5 -25.44 54.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 99.8 m -76.66 -32.5 57.99 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 29.1 tttm -76.62 -47.31 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.482 -0.781 . . . . 1.0 109.583 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -51.73 -41.72 61.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.822 -0.627 . . . . 1.0 111.549 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 31.1 m . . . . . 0 CA--C 1.537 0.466 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.969 178.878 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.15 -40.09 73.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -48.39 -29.55 4.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.36 -42.61 29.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.577 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.34 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -67.93 -49.99 58.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 1.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1797 ' ' MET . . . . . 0.412 ' SD ' ' OD1' ' A' 1826 ' ' ASP . 25.9 ttp -52.6 -35.98 55.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.03 -40.67 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -69.5 -31.7 70.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.186 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -59.82 -44.4 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.4 t -74.6 -38.75 46.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.009 -0.677 . . . . 1.0 109.309 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -55.43 -42.59 74.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.156 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.23 -28.99 60.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.176 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -67.85 -35.72 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.499 0.666 . . . . 1.0 112.377 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -98.32 -4.77 34.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.86 -1.064 . . . . 1.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.427 ' OD1' ' OG1' ' A' 1810 ' ' THR . 20.4 t70 -156.68 83.49 3.2 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 1.0 111.053 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.33 -5.89 12.76 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.336 2.024 . . . . 1.0 111.857 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 12.1 p30 -89.47 -4.28 58.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.277 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.02 27.79 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.427 ' OG1' ' OD1' ' A' 1806 ' ' ASP . 9.2 p -68.83 -31.13 69.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.112 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 75.55 23.55 1.45 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.87 0.731 . . . . 1.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.25 151.75 51.19 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.3 tt -142.96 147.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 118.678 0.672 . . . . 1.0 109.869 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -81.16 141.09 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.064 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.35 -46.17 72.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.127 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.46 -24.89 33.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.19 -0.04 24.9 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.272 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.2 tp -69.12 -24.42 64.11 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.342 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 13.3 p -75.6 -34.63 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.265 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.32 -22.89 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 55.3 t80 -82.78 -47.28 12.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.623 -1.171 . . . . 1.0 111.079 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.93 -38.32 35.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.525 -0.761 . . . . 1.0 112.617 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.96 1.92 56.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.942 0.401 . . . . 1.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.28 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.858 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.97 164.15 26.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1826 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1827 ' ' PRO . 0.0 OUTLIER -110.59 151.97 43.11 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 179.171 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1827 ' ' PRO . . . . . 0.431 ' O ' ' OD1' ' A' 1826 ' ' ASP . 73.9 Cg_exo -45.68 146.93 3.31 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.445 1.43 . . . . 1.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -88.75 48.29 1.0 Allowed 'Cis proline' 0 N--CA 1.502 2.015 0 CA-C-N 119.998 1.035 . . . . 1.0 112.06 -0.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 72.1 mt -132.47 -2.88 3.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.907 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.99 121.53 26.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.091 0.472 . . . . 1.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.469 ' CG2' ' OD1' ' A' 1835 ' ' ASN . 49.5 mt -114.13 106.72 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -55.34 151.69 9.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.655 -0.702 . . . . 1.0 111.38 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 48.8 mttt -99.72 157.36 34.08 Favored Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.13 124.45 10.62 Favored 'Cis proline' 0 N--CA 1.504 2.133 0 C-N-CA 124.506 -1.039 . . . . 1.0 112.7 0.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.681 ' H ' HD21 ' A' 1835 ' ' ASN . 0.0 OUTLIER -139.85 65.9 1.41 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.333 -0.947 . . . . 1.0 111.808 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.46 -32.33 26.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.311 1.053 . . . . 1.0 110.145 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 37.0 t -67.69 -54.1 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 113.861 -1.518 . . . . 1.0 110.803 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -55.2 -25.98 36.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.916 0.865 . . . . 1.0 108.859 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -39.67 57.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.997 -1.456 . . . . 1.0 109.701 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.31 -36.35 42.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.962 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.51 59.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.596 -0.275 . . . . 1.0 110.651 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 40.8 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.641 0.258 . . . . 1.0 111.124 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.465 0.65 . . . . 1.0 112.708 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -82.45 123.55 29.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.692 -1.14 . . . . 1.0 111.895 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1854 ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' 1855 ' ' LEU . 16.3 p -63.9 -36.54 84.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.642 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1855 ' ' LEU . . . . . 0.435 ' N ' ' SG ' ' A' 1854 ' ' CYS . 36.0 mt -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.859 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.92 -43.05 62.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.344 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.5 -45.31 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1858 ' ' LEU . . . . . 0.426 ' O ' ' OG1' ' A' 1862 ' ' THR . 48.8 tp -59.73 -50.34 74.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.059 0.456 . . . . 1.0 110.712 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -67.64 -32.39 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.11 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.8 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 1.0 111.48 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.84 -22.81 58.48 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.723 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1862 ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' 1858 ' ' LEU . 26.9 m -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.127 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -76.61 -45.99 27.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.649 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -51.52 -41.52 61.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.432 0.634 . . . . 1.0 111.222 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 56.7 t . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 114.954 -1.021 . . . . 1.0 111.14 178.793 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 N--CA 1.466 0.344 0 CA-C-O 120.889 0.376 . . . . 1.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.8 -30.67 70.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.699 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -48.1 -28.64 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.041 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -73.31 -45.63 54.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.274 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -50.59 -48.26 57.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.19 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -70.58 -53.96 13.95 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.646 0.61 . . . . 1.0 112.646 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1797 ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' 1797 ' ' MET . 0.0 OUTLIER -52.94 -34.02 53.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.829 0.347 . . . . 1.0 110.661 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 28.0 t80 -64.81 -39.61 93.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.42 -30.52 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.24 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.405 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 16.2 t -75.06 -38.49 42.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.19 -0.67 . . . . 1.0 109.19 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -56.27 -42.72 77.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.296 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.6 -28.05 63.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.638 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.99 -32.91 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 1.0 112.111 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1805 ' ' PHE . . . . . 0.41 ' O ' ' OD1' ' A' 1806 ' ' ASP . 68.7 m-85 -98.02 -5.59 33.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.886 -1.052 . . . . 1.0 111.223 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' 1805 ' ' PHE . 64.0 m-20 -158.36 86.54 2.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.765 -0.374 . . . . 1.0 111.375 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.47 -3.75 10.79 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.283 1.989 . . . . 1.0 111.73 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 18.9 p30 -92.17 -5.96 51.6 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.1 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 58.79 32.03 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 7.7 p -69.99 -31.75 69.59 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 80.09 24.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.17 -0.923 . . . . 1.0 111.011 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -130.56 149.68 52.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -140.98 147.12 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1814 ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' 1815 ' ' PHE . 0.0 OUTLIER -79.71 135.63 36.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.025 0.38 . . . . 1.0 112.025 -177.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1815 ' ' PHE . . . . . 0.538 ' N ' ' OE1' ' A' 1814 ' ' GLU . 34.9 t80 -53.03 -44.93 67.74 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.476 -0.49 . . . . 1.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.66 -22.58 46.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.259 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -109.23 2.16 20.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.263 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.58 -27.65 65.3 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.035 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.8 m -70.46 -34.49 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.594 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -73.61 -26.37 60.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.57 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1821 ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' 1824 ' ' ALA . 62.5 t80 -80.55 -48.36 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.87 15.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.587 -1.188 . . . . 1.0 111.325 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.63 3.77 54.67 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.01 0.433 . . . . 1.0 110.208 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1824 ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' 1821 ' ' PHE . . . -90.46 -22.05 21.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.787 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.91 178.01 3.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.138 0.494 . . . . 1.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -122.32 146.13 46.25 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.488 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -48.29 148.24 7.7 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.226 1.284 . . . . 1.0 111.035 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.72 48.19 1.01 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.871 0.99 . . . . 1.0 112.113 -0.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 15.8 mt -134.03 -4.81 2.76 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.861 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 10.2 tp -79.29 126.49 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.503 . . . . 1.0 112.135 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.498 ' CG2' ' ND2' ' A' 1835 ' ' ASN . 71.5 mt -117.87 100.35 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 106.198 -1.779 . . . . 1.0 106.198 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -108.2 67.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.154 -0.93 . . . . 1.0 112.046 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1833 ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' 1832 ' ' ALA . 2.0 mptm? 50.02 158.49 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.458 -0.792 . . . . 1.0 111.411 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -97.73 28.74 15.75 Favored 'Cis proline' 0 N--CA 1.493 1.495 0 CA-C-N 118.735 0.584 . . . . 1.0 112.557 -0.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.752 ' H ' ' ND2' ' A' 1835 ' ' ASN . 0.0 OUTLIER -96.5 70.6 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -178.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.7 -37.5 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.826 0.822 . . . . 1.0 109.995 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 15.8 t -50.58 -44.88 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.184 -1.371 . . . . 1.0 110.157 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1838 ' ' GLN . . . . . 0.478 ' N ' ' OE1' ' A' 1838 ' ' GLN . 0.9 OUTLIER -48.18 -33.2 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.674 -1.148 . . . . 1.0 110.344 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.61 -41.49 83.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.157 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1840 ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' 1842 ' ' MET . 68.0 mt -74.03 -34.18 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -75.25 44.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1842 ' ' MET . . . . . 0.459 ' H ' ' C ' ' A' 1840 ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 122.557 0.343 . . . . 1.0 110.989 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 35.9 mt . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.313 0.578 . . . . 1.0 111.916 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.47 121.78 16.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.437 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.15 -41.37 99.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.665 -0.243 . . . . 1.0 111.246 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.49 -39.12 56.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.494 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.52 -38.12 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.568 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.1 -44.04 90.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -49.33 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.981 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.95 -47.04 75.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.463 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.43 81.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.012 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.83 -22.84 58.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.536 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 90.2 m -79.01 -34.46 43.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -76.85 -45.68 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.571 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -52.34 -41.75 63.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.542 . . . . 1.0 111.951 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 45.8 t . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.904 178.928 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1791 ' ' SER . . . . . 0.514 ' N ' ' OD2' ' A' 1794 ' ' ASP . 69.3 m . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.37 -36.32 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1793 ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' 1793 ' ' ASP . 0.4 OUTLIER -48.56 -33.27 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.734 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1794 ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' 1791 ' ' SER . 4.5 m-20 -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 1.0 110.48 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.18 -49.66 60.51 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.123 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -65.65 -49.07 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.529 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1797 ' ' MET . . . . . 0.46 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.7 tmm? -55.45 -36.81 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.201 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1798 ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.5 t80 -61.76 -41.5 97.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.98 -32.28 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.275 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -60.66 -41.41 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.6 t -76.52 -38.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -56.26 -42.06 76.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.837 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.37 -28.3 58.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.338 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -68.74 -35.41 77.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.415 0.626 . . . . 1.0 111.979 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.47 -5.56 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.959 -1.019 . . . . 1.0 111.522 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.413 ' OD2' ' OG1' ' A' 1810 ' ' THR . 41.2 t0 -157.66 84.73 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.252 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.95 -4.78 12.09 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.176 1.917 . . . . 1.0 111.658 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 45.2 t0 -89.6 -6.18 56.48 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.84 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.45 30.62 18.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 8.2 p -68.87 -31.45 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 75.96 23.63 1.29 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.457 -0.792 . . . . 1.0 110.54 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1812 ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' 1852 ' ' ILE . 1.3 m-85 -131.56 151.07 51.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.2 tt -140.77 149.61 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.124 0.42 . . . . 1.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.24 135.44 36.77 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.087 0.403 . . . . 1.0 112.087 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -52.53 -45.87 66.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.694 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -58.65 -22.7 57.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.037 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1817 ' ' LYS . . . . . 0.426 ' NZ ' ' CB ' ' A' 1817 ' ' LYS . 6.3 ttpm? -107.69 0.05 22.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.026 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.18 -26.66 65.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.866 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 4.4 m -71.68 -35.29 70.25 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.561 -0.455 . . . . 1.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1820 ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' 1820 ' ' ASP . 66.6 t0 -69.21 -25.09 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.562 -0.532 . . . . 1.0 109.562 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 62.5 t80 -81.94 -48.09 11.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.815 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.43 -37.21 24.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.25 -0.886 . . . . 1.0 112.183 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -94.06 2.44 56.03 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.97 0.414 . . . . 1.0 110.186 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.55 -24.87 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.162 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.4 168.35 19.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.089 0.471 . . . . 1.0 110.613 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.48 149.22 41.84 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.74 148.62 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.071 1.181 . . . . 1.0 110.949 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -88.39 46.72 1.12 Allowed 'Cis proline' 0 N--CA 1.501 1.929 0 CA-C-N 119.883 0.994 . . . . 1.0 112.292 -0.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 21.8 mt -131.19 -3.43 3.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.679 0.276 . . . . 1.0 110.822 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 14.8 tp -79.85 123.35 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 1.0 111.767 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.442 ' CG2' ' OD1' ' A' 1835 ' ' ASN . 16.2 mt -115.63 107.34 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.94 149.26 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.123 0.487 . . . . 1.0 111.182 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -101.26 158.73 31.23 Favored Pre-proline 0 C--N 1.331 -0.239 0 N-CA-C 108.583 -0.895 . . . . 1.0 108.583 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -75.27 121.12 7.19 Favored 'Cis proline' 0 N--CA 1.505 2.148 0 C-N-CA 125.089 -0.796 . . . . 1.0 112.703 -0.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.477 ' N ' ' ND2' ' A' 1835 ' ' ASN . 0.1 OUTLIER -140.24 66.78 1.38 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.182 -1.007 . . . . 1.0 112.034 178.152 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 46.0 mttp -83.0 -29.73 28.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.211 1.005 . . . . 1.0 110.099 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 43.0 t -67.58 -32.99 59.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.353 -1.748 . . . . 1.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -68.86 -31.57 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 70.5 mt -79.47 -35.06 40.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.105 -0.952 . . . . 1.0 111.52 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1840 ' ' ILE . . . . . 0.464 ' C ' ' H ' ' A' 1842 ' ' MET . 79.2 mt -73.99 -38.66 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.556 -0.458 . . . . 1.0 109.805 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -74.58 42.07 0.16 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.728 0.299 . . . . 1.0 110.71 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1842 ' ' MET . . . . . 0.464 ' H ' ' C ' ' A' 1840 ' ' ILE . 41.4 mmm . . . . . 0 N--CA 1.468 0.432 0 CA-C-O 121.0 0.429 . . . . 1.0 110.111 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1852 ' ' ILE . . . . . 0.467 ' O ' ' CD2' ' A' 1812 ' ' PHE . 18.5 mt . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.648 0.737 . . . . 1.0 112.223 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1853 ' ' HIS . . . . . 0.438 ' H ' ' CG2' ' A' 1852 ' ' ILE . 0.8 OUTLIER -87.76 122.39 31.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.516 -1.22 . . . . 1.0 111.027 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 5.4 t -58.83 -45.93 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.596 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 56.0 mt -51.73 -39.15 57.93 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.57 -45.0 66.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.15 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -43.86 93.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.226 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.9 tp -63.55 -50.11 70.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 1.0 111.152 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.16 -50.72 69.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.732 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -55.23 -36.23 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.395 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.85 -34.13 60.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.511 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 28.8 p -68.84 -33.21 73.43 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.545 -0.462 . . . . 1.0 109.935 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 59.1 mttm -79.48 -45.18 19.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.043 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -50.92 -41.31 58.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.288 0.566 . . . . 1.0 111.247 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 61.8 t . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.726 177.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 71.3 p . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.3 0.571 . . . . 1.0 112.137 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.95 -23.23 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.238 -0.892 . . . . 1.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -48.95 -31.1 6.81 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.274 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.75 -42.81 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.148 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.75 -50.08 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.185 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.83 -50.24 51.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.852 0.358 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 33.3 ttp -52.35 -35.39 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.036 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.92 -39.2 93.83 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -70.68 -32.78 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.84 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.39 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.8 t -74.06 -38.33 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 119.714 -0.794 . . . . 1.0 109.193 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -55.13 -43.03 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.143 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.09 -28.71 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.251 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -69.29 -36.02 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.338 0.589 . . . . 1.0 112.448 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -95.57 -8.17 35.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.249 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.436 ' OD2' ' OG1' ' A' 1810 ' ' THR . 19.9 t70 -155.01 87.29 3.32 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.815 -0.354 . . . . 1.0 111.437 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -82.72 -6.09 11.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.188 1.925 . . . . 1.0 111.435 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -88.48 -7.22 56.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.152 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 64.24 29.88 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 1.0 110.705 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.436 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 16.1 p -66.43 -31.44 72.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.893 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 75.36 17.05 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.732 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.42 156.31 44.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.42 148.02 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 118.384 0.538 . . . . 1.0 110.045 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.76 142.45 32.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.841 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.55 -46.08 80.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.429 -0.351 . . . . 1.0 111.282 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.32 -23.49 49.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.985 0.421 . . . . 1.0 110.615 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -104.63 -5.1 21.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.817 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.77 -24.13 64.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -35.46 60.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.401 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1820 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1820 ' ' ASP . 13.1 t0 -70.71 -20.74 62.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 59.9 t80 -83.71 -47.14 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.451 -1.25 . . . . 1.0 111.494 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.75 -37.76 30.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.069 -0.969 . . . . 1.0 112.765 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.31 2.84 55.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.022 0.439 . . . . 1.0 110.031 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.41 -26.15 26.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.497 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.74 170.38 12.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.972 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 148.37 40.53 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 108.995 -0.742 . . . . 1.0 108.995 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -46.48 147.34 4.28 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.526 1.484 . . . . 1.0 111.703 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -88.76 50.8 0.83 Allowed 'Cis proline' 0 N--CA 1.5 1.896 0 CA-C-N 119.861 0.986 . . . . 1.0 112.403 -0.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 68.5 mt -134.43 -6.25 2.58 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.873 0.368 . . . . 1.0 110.527 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.0 tp -79.37 128.0 32.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.501 ' C ' ' H ' ' A' 1833 ' ' LYS . 65.4 mt -114.16 100.92 11.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 105.401 -2.074 . . . . 1.0 105.401 176.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -65.22 15.05 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.111 0.782 . . . . 1.0 113.111 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1833 ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' 1832 ' ' ALA . 20.4 mttm 52.08 162.81 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 118.875 -1.13 . . . . 1.0 108.903 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -90.12 36.46 5.49 Favored 'Cis proline' 0 C--N 1.31 -1.457 0 C-N-CA 125.089 -0.796 . . . . 1.0 113.039 0.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.516 ' H ' ' ND2' ' A' 1835 ' ' ASN . 0.5 OUTLIER -73.4 69.01 1.14 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 118.714 -1.194 . . . . 1.0 110.362 -179.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -79.42 -30.89 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.599 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 39.0 t -57.19 -48.21 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 113.393 -1.731 . . . . 1.0 109.655 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -50.41 -28.85 8.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.159 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.49 -38.12 62.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.212 -0.595 . . . . 1.0 109.79 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.1 mt -73.81 -38.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.237 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -49.55 -33.28 14.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 1.0 110.361 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 22.7 mtm . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.582 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 20.7 mt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.231 0.539 . . . . 1.0 111.881 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.34 122.95 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.136 -0.938 . . . . 1.0 110.487 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -34.18 77.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.414 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 71.0 mt -51.31 -35.38 37.55 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.574 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.16 -41.32 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.787 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.99 -45.38 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 108.774 -0.825 . . . . 1.0 108.774 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.93 -48.59 78.28 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 110.711 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1859 ' ' PHE . . . . . 0.414 ' O ' ' OG1' ' A' 1862 ' ' THR . 18.9 t80 -68.84 -37.23 79.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.474 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.42 -38.85 74.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.546 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1861 ' ' PHE . . . . . 0.605 ' CD2' ' NH2' ' A' 1864 ' ' ARG . 3.5 m-85 -75.04 -21.62 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.263 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1862 ' ' THR . . . . . 0.43 ' H ' ' HG1' ' A' 1862 ' ' THR . 10.1 p -77.15 -32.33 56.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.03 0.443 . . . . 1.0 110.282 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -78.43 -45.44 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.039 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1864 ' ' ARG . . . . . 0.605 ' NH2' ' CD2' ' A' 1861 ' ' PHE . 9.6 ttm180 -51.66 -40.95 60.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.468 0.425 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.792 -179.089 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 110.186 -0.302 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.61 -50.95 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 1.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.58 -29.67 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.506 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.31 -43.68 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.677 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -51.3 -49.71 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.3 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -64.94 -43.13 93.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 1.0 110.717 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1797 ' ' MET . . . . . 0.458 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.3 tmm? -60.59 -37.0 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 33.3 t80 -61.2 -41.29 96.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.655 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -73.28 -33.61 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -61.06 -40.02 92.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.0 110.045 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 60.2 t -76.52 -38.16 31.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -56.46 -41.61 76.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.981 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -29.52 64.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.867 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -68.41 -33.57 74.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.483 0.659 . . . . 1.0 112.104 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -96.5 -5.83 38.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.945 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.01 84.0 3.76 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.23 -7.15 12.99 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.341 2.027 . . . . 1.0 111.986 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1808 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1808 ' ' ASP . 11.7 t70 -88.47 -3.92 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.064 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.88 27.63 16.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 1.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1811 ' ' GLN . 3.2 p -67.99 -32.62 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.593 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1811 ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' 1810 ' ' THR . 3.2 tp60 78.6 19.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.835 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1812 ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' 1852 ' ' ILE . 22.5 m-85 -130.05 154.43 47.44 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.59 148.16 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 122.054 -0.404 . . . . 1.0 110.082 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -78.92 137.05 37.45 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.666 0.27 . . . . 1.0 111.511 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 48.1 t80 -54.21 -44.54 71.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.264 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.12 -23.22 33.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.372 . . . . 1.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -108.61 3.87 23.36 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.372 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.92 -23.79 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.474 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1819 ' ' SER . . . . . 0.459 ' O ' ' NZ ' ' A' 1833 ' ' LYS . 4.4 m -75.0 -35.44 62.0 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.974 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 52.2 t0 -68.84 -25.13 64.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.48 -48.52 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.737 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.3 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 1.0 112.137 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.99 2.06 56.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.954 0.407 . . . . 1.0 110.29 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.56 25.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.857 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 88.8 mt -72.68 168.75 18.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.149 0.5 . . . . 1.0 110.613 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -113.02 147.73 37.87 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.408 -0.815 . . . . 1.0 109.391 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.6 147.43 1.07 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.449 1.433 . . . . 1.0 111.247 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -89.14 49.83 0.92 Allowed 'Cis proline' 0 N--CA 1.503 2.062 0 CA-C-N 119.773 0.955 . . . . 1.0 112.386 0.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 20.2 mt -133.62 -5.19 2.88 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.522 0.201 . . . . 1.0 111.139 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 15.7 tp -80.66 128.78 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.899 0.703 . . . . 1.0 112.899 -177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.529 ' C ' ' H ' ' A' 1833 ' ' LYS . 57.9 mt -115.74 100.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 105.91 -1.885 . . . . 1.0 105.91 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.593 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -66.02 18.41 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1833 ' ' LYS . . . . . 0.593 ' O ' ' O ' ' A' 1832 ' ' ALA . 0.8 OUTLIER 49.45 165.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 119.434 -0.906 . . . . 1.0 108.889 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -87.71 36.25 4.34 Favored 'Cis proline' 0 N--CA 1.49 1.278 0 CA-C-N 119.95 1.018 . . . . 1.0 112.915 0.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.522 ' H ' ' ND2' ' A' 1835 ' ' ASN . 0.2 OUTLIER -75.29 68.79 2.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 118.871 -1.132 . . . . 1.0 110.168 -179.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.78 -31.2 45.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.241 1.02 . . . . 1.0 110.037 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 11.7 t -57.19 -46.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 113.252 -1.794 . . . . 1.0 109.684 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1838 ' ' GLN . . . . . 0.493 ' O ' ' SD ' ' A' 1842 ' ' MET . 71.3 mt-30 -50.63 -30.14 12.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.689 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.65 -37.1 62.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.851 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1840 ' ' ILE . . . . . 0.454 ' C ' ' H ' ' A' 1842 ' ' MET . 8.0 mm -73.55 -38.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.013 -0.675 . . . . 1.0 109.321 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.28 41.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.533 0.206 . . . . 1.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1842 ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' 1838 ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1852 ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' 1853 ' ' HIS . 3.9 mp . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 121.495 0.664 . . . . 1.0 111.696 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1853 ' ' HIS . . . . . 0.428 ' N ' ' CG2' ' A' 1852 ' ' ILE . 2.2 t-80 -84.06 121.14 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.748 -1.114 . . . . 1.0 110.578 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 19.3 t -59.66 -40.74 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.777 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.13 -38.64 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.235 -0.586 . . . . 1.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.49 -42.83 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.17 -44.59 92.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.755 -0.461 . . . . 1.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.72 -50.03 75.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.099 0.476 . . . . 1.0 110.855 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.19 -34.17 77.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.403 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.46 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.207 -0.597 . . . . 1.0 111.083 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.77 -21.75 59.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.173 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 98.1 m -80.25 -33.34 37.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.114 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -46.16 17.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -51.47 -41.04 60.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 3.1 t . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.001 0.429 . . . . 1.0 110.897 -178.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.908 0.385 . . . . 1.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.53 -32.19 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 24.1 t0 -48.57 -31.4 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 1.0 110.448 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.77 -44.78 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.494 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.74 -48.79 58.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.393 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.63 -52.99 31.69 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.283 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 1.5 ptt? -53.32 -36.29 61.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 1.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 27.6 t80 -62.78 -41.19 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -70.28 -31.01 68.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.852 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.93 -40.36 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.297 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.0 t -77.75 -38.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -53.98 -44.39 70.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.023 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -54.01 -28.21 36.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.553 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 51.8 mttm -70.84 -35.45 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1805 ' ' PHE . . . . . 0.428 ' O ' ' OD1' ' A' 1806 ' ' ASP . 44.9 m-85 -95.57 -7.82 36.77 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' 1805 ' ' PHE . 4.8 m-20 -159.94 87.57 1.95 Allowed Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 120.62 -0.432 . . . . 1.0 111.633 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -83.44 -2.24 10.47 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.5 2.133 . . . . 1.0 111.828 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.27 -6.48 56.74 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.245 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.03 29.48 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.236 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.1 p -68.18 -32.52 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1811 ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' 1853 ' ' HIS . 32.9 mt-30 75.02 21.26 2.0 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -128.98 152.55 48.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.1 tt -144.41 145.71 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.37 143.27 35.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.096 -0.642 . . . . 1.0 111.586 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.41 -44.46 76.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.293 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.06 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.202 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.76 -2.23 25.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.643 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.3 tp -68.4 -48.71 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.539 . . . . 1.0 111.251 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.2 m -50.58 -34.54 26.17 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.509 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.69 -60.55 2.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 54.8 t80 -46.44 -43.72 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.98 -36.78 29.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.25 -0.887 . . . . 1.0 111.922 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1823 ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' 1833 ' ' LYS . 1.9 m-20 -95.91 3.04 53.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.235 0.541 . . . . 1.0 110.056 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -87.86 -23.23 24.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.917 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.94 170.54 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.344 0.592 . . . . 1.0 110.736 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.95 154.62 47.04 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.258 -0.883 . . . . 1.0 108.695 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1827 ' ' PRO . . . . . 0.464 ' HA ' ' H ' ' A' 1829 ' ' LEU . 12.4 Cg_endo -55.63 148.25 55.25 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.757 1.638 . . . . 1.0 110.637 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.33 48.43 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.924 0 CA-C-N 119.81 0.968 . . . . 1.0 113.057 0.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1829 ' ' LEU . . . . . 0.464 ' H ' ' HA ' ' A' 1827 ' ' PRO . 14.3 mt -132.2 -3.68 3.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.258 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.95 123.31 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.483 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1831 ' ' ILE . . . . . 0.434 ' O ' ' OD2' ' A' 1823 ' ' ASP . 20.7 mt -115.73 106.98 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 N-CA-C 107.623 -1.251 . . . . 1.0 107.623 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -57.16 149.56 19.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.177 0.513 . . . . 1.0 111.524 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1833 ' ' LYS . . . . . 0.488 ' N ' ' OD2' ' A' 1823 ' ' ASP . 8.7 ptmm? -102.22 152.56 38.29 Favored Pre-proline 0 N--CA 1.462 0.167 0 N-CA-C 108.731 -0.84 . . . . 1.0 108.731 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.94 128.07 15.65 Favored 'Cis proline' 0 N--CA 1.505 2.171 0 CA-C-N 119.876 0.991 . . . . 1.0 113.363 0.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.596 ' C ' HD21 ' A' 1835 ' ' ASN . 0.2 OUTLIER -144.24 65.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.163 -1.015 . . . . 1.0 111.37 176.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -83.5 -32.05 26.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.847 0.832 . . . . 1.0 110.66 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.5 t -69.25 -31.92 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.114 -1.403 . . . . 1.0 110.685 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1838 ' ' GLN . . . . . 0.472 ' O ' ' SD ' ' A' 1842 ' ' MET . 18.7 mm100 -68.94 -31.39 70.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.283 0.563 . . . . 1.0 109.528 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 85.3 mt -79.29 -33.71 43.08 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.245 -0.889 . . . . 1.0 111.123 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1840 ' ' ILE . . . . . 0.44 ' C ' ' H ' ' A' 1842 ' ' MET . 74.2 mt -73.15 -41.52 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.459 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -77.73 43.37 0.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.209 0.528 . . . . 1.0 110.346 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1842 ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' 1838 ' ' GLN . 79.5 mtp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.544 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1853 ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' 1811 ' ' GLN . 16.4 t-80 -104.2 151.61 23.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.372 0.606 . . . . 1.0 110.766 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.0 t -55.39 -31.15 61.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.158 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 73.3 mt -72.33 -35.34 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.649 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.52 -41.53 69.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.0 110.325 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1857 ' ' ILE . . . . . 0.411 HG21 HD12 ' A' 1857 ' ' ILE . 85.6 mt -67.31 -41.08 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.593 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1858 ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' 1862 ' ' THR . 24.8 tp -62.28 -49.88 73.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.167 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.4 t80 -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.732 0.271 . . . . 1.0 111.732 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.0 110.886 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.35 -22.54 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.839 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1862 ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' 1858 ' ' LEU . 23.8 m -79.19 -33.88 43.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.244 -0.651 . . . . 1.0 109.244 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -73.96 -48.61 29.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.232 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.83 -41.67 64.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.167 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 93.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.846 179.312 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1791 ' ' SER . . . . . 0.464 ' O ' ' OD2' ' A' 1794 ' ' ASP . 70.1 p . . . . . 0 N--CA 1.468 0.425 0 CA-C-O 120.935 0.397 . . . . 1.0 110.123 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -42.97 -37.9 2.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.216 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 47.5 t0 -48.39 -34.47 10.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.471 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1794 ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' 1795 ' ' PHE . 0.6 OUTLIER -70.85 -43.95 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.688 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1795 ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' 1794 ' ' ASP . 8.9 m-85 -50.95 -47.74 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.796 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -68.91 -53.02 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 4.2 ptt? -54.26 -35.52 62.61 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.915 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 35.7 t80 -64.38 -40.06 95.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.519 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.54 -30.78 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.25 -43.34 99.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.5 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 19.5 t -74.36 -38.15 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.913 -0.773 . . . . 1.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -56.52 -42.59 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.951 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.92 -27.57 61.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.494 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.34 -34.15 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.404 0.621 . . . . 1.0 112.297 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -98.13 -5.52 33.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.013 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1806 ' ' ASP . . . . . 0.423 ' OD2' ' OG1' ' A' 1810 ' ' THR . 40.5 t0 -155.36 83.84 3.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.954 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.05 -6.37 12.17 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.284 1.989 . . . . 1.0 111.974 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1808 ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' 1808 ' ' ASP . 4.6 m-20 -88.87 -6.96 56.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.317 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.77 29.53 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 1.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1810 ' ' THR . . . . . 0.423 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 4.4 p -68.65 -31.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1811 ' ' GLN . . . . . 0.498 ' O ' ' SG ' ' A' 1854 ' ' CYS . 9.2 mt-30 77.26 20.16 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.682 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -131.46 155.09 47.96 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.168 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.37 147.28 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 109.744 -0.465 . . . . 1.0 109.744 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.41 142.78 32.66 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.537 -0.465 . . . . 1.0 111.088 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.54 -44.64 81.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.04 36.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 1.0 110.815 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 48.4 mttm -107.25 -0.39 22.62 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.008 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.8 tp -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.574 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 t -73.53 -35.5 65.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.369 -0.532 . . . . 1.0 110.348 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.45 -24.85 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 60.9 t80 -81.61 -48.2 12.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.505 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.76 26.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.507 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 11.7 p30 -92.96 1.32 57.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.956 0.408 . . . . 1.0 110.053 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.85 -24.72 24.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.501 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.34 172.64 9.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.245 0.545 . . . . 1.0 110.866 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1826 ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' 1826 ' ' ASP . 0.0 OUTLIER -115.98 156.28 46.9 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 108.493 -0.929 . . . . 1.0 108.493 178.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1827 ' ' PRO . . . . . 0.438 ' HA ' ' H ' ' A' 1829 ' ' LEU . 18.0 Cg_endo -59.17 147.88 88.45 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.078 1.852 . . . . 1.0 110.646 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -88.55 50.2 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.944 0 CA-C-N 119.715 0.934 . . . . 1.0 113.136 0.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1829 ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' 1827 ' ' PRO . 6.2 mt -133.35 -6.55 2.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.856 0.36 . . . . 1.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.82 126.79 31.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.574 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 92.3 mt -116.96 105.0 17.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1832 ' ' ALA . . . . . 0.513 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -103.07 113.99 27.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.179 0.99 . . . . 1.0 110.619 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1833 ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' 1832 ' ' ALA . 1.1 mttp -32.16 157.98 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 112.461 -2.154 . . . . 1.0 110.385 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.52 90.02 0.12 OUTLIER 'Cis proline' 0 N--CA 1.495 1.601 0 N-CA-C 115.528 1.318 . . . . 1.0 115.528 1.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1835 ' ' ASN . . . . . 0.536 ' N ' ' ND2' ' A' 1835 ' ' ASN . 0.1 OUTLIER -144.84 64.3 1.29 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.575 0.702 . . . . 1.0 109.54 175.431 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -84.5 -35.5 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.674 -1.148 . . . . 1.0 111.634 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 7.8 t -52.23 -49.07 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 114.112 -1.404 . . . . 1.0 110.378 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -48.61 -32.53 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.241 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.45 -42.33 87.77 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.24 -37.2 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.95 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.279 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 4.1 mtp . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.68 0.276 . . . . 1.0 110.824 179.783 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 1852 ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' 1853 ' ' HIS . 39.8 mt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.238 0.458 . . . . 1.0 112.238 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1853 ' ' HIS . . . . . 0.411 ' N ' ' CG2' ' A' 1852 ' ' ILE . 2.8 t-80 -103.62 121.77 43.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.326 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1854 ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' 1811 ' ' GLN . 6.2 p -57.51 -46.44 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.704 -0.225 . . . . 1.0 110.768 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 24.4 mt -51.42 -38.51 53.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.813 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.63 -46.77 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.065 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.4 mt -57.95 -44.6 87.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1858 ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' 1862 ' ' THR . 24.5 tp -64.08 -50.04 69.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 1.0 110.978 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -68.52 -36.36 78.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.779 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.47 -39.44 74.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.411 -0.515 . . . . 1.0 111.063 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -73.7 -22.35 59.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.078 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1862 ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' 1858 ' ' LEU . 24.9 m -79.31 -32.0 43.36 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.098 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -77.64 -44.21 28.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.828 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -52.54 -40.94 63.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.463 0.649 . . . . 1.0 111.256 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 CA--C 1.538 0.506 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.47 179.028 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.82 0.343 . . . . 1.0 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1778 ' ' ASN . . . . . 0.507 ' CG ' ' H ' ' A' 1779 ' ' PHE . 63.4 t30 51.08 -177.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.584 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1779 ' ' PHE . . . . . 0.507 ' H ' ' CG ' ' A' 1778 ' ' ASN . 32.7 t80 60.79 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1780 ' ' SER . . . . . 0.497 ' N ' ' O ' ' A' 1778 ' ' ASN . 19.9 m -77.95 54.91 1.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 4.0 m -88.72 19.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.132 0.491 . . . . 1.0 110.547 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.11 20.67 1.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.645 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 14.5 t -105.43 -32.82 8.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.291 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.57 130.41 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.123 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 65.5 47.02 2.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1786 ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' 1786 ' ' SER . 13.8 t -86.54 40.34 0.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.872 0.368 . . . . 1.0 110.478 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -177.17 147.47 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.46 144.3 61.29 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.342 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -38.79 -49.68 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.258 1.972 . . . . 1.0 112.789 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 2.9 tt -80.9 96.76 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.862 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1791 ' ' SER . . . . . 0.525 ' N ' ' OD2' ' A' 1794 ' ' ASP . 24.2 t -107.08 179.25 4.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.539 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1792 ' ' GLU . . . . . 0.495 ' CD ' ' H ' ' A' 1792 ' ' GLU . 2.9 mp0 -60.24 -36.66 78.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -48.43 -28.07 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1794 ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' 1791 ' ' SER . 8.4 m-20 -78.49 -43.01 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.425 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -51.6 -50.18 60.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.639 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.24 -44.15 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.74 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1797 ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' 1797 ' ' MET . 15.6 tmm? -58.28 -35.95 72.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.442 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.7 t80 -61.84 -41.09 97.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -69.62 -31.88 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.49 -43.51 96.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.412 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 18.6 t -76.33 -38.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 119.966 -0.694 . . . . 1.0 109.257 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -54.19 -43.27 70.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.554 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.33 -30.04 59.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.735 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 48.8 mttm -69.83 -34.98 74.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.392 0.615 . . . . 1.0 112.421 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -95.95 -7.79 35.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.003 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -159.01 87.67 2.18 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.527 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.79 -2.58 10.96 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.388 2.059 . . . . 1.0 111.484 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -87.39 -8.56 56.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.326 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.29 29.11 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.301 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 1.3 t -68.29 -31.93 71.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.122 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 74.67 20.28 2.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.294 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -130.76 153.62 48.84 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.16 148.18 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 118.852 0.751 . . . . 1.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.88 143.43 31.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1815 ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' 1815 ' ' PHE . 25.3 t80 -58.48 -44.28 89.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.676 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.67 35.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.41 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -104.16 -4.05 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.001 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.0 tp -68.43 -49.18 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.199 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.2 p -50.11 -34.21 21.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.117 -0.633 . . . . 1.0 110.273 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1820 ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' 1820 ' ' ASP . 0.5 OUTLIER -71.75 -60.71 2.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 59.8 t80 -46.86 -44.93 19.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.633 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.17 21.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.24 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1823 ' ' ASP . . . . . 0.533 ' OD2' ' NZ ' ' A' 1833 ' ' LYS . 1.1 p30 -96.45 4.67 51.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.371 0.605 . . . . 1.0 109.964 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -88.82 -22.71 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.907 -1.042 . . . . 1.0 110.287 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 90.7 mt -72.76 168.05 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.189 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -114.0 150.31 43.32 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.023 -0.732 . . . . 1.0 109.023 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -47.35 148.19 5.25 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 120.939 1.092 . . . . 1.0 110.867 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -88.29 46.76 1.1 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.9 1.0 . . . . 1.0 112.357 -0.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 20.0 mt -132.17 -3.3 3.51 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.94 0.4 . . . . 1.0 110.704 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.6 tp -80.9 124.05 28.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 1.0 112.399 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 64.7 mt -113.91 104.89 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 106.797 -1.557 . . . . 1.0 106.797 176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.552 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.8 151.41 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 1.0 111.661 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1833 ' ' LYS . . . . . 0.533 ' NZ ' ' OD2' ' A' 1823 ' ' ASP . 0.0 OUTLIER -89.66 160.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 107.048 -1.464 . . . . 1.0 107.048 177.34 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1834 ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1836 ' ' LYS . 40.2 Cg_endo -88.77 38.56 3.48 Favored 'Cis proline' 0 N--CA 1.496 1.661 0 C-N-CA 124.822 -0.907 . . . . 1.0 114.111 1.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' 1832 ' ' ALA . 74.5 m-20 -67.91 69.68 0.13 Allowed 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.884 -1.126 . . . . 1.0 111.261 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1836 ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' 1834 ' ' PRO . 3.2 ttmp? -80.32 -33.65 37.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.227 -0.897 . . . . 1.0 111.188 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 24.3 t -60.93 -48.85 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.232 -1.349 . . . . 1.0 110.034 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1838 ' ' GLN . . . . . 0.401 ' NE2' HH22 ' A' 1864 ' ' ARG . 20.8 mt-30 -49.81 -25.61 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.022 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 15.4 mt -77.11 -36.48 55.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.517 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.94 -40.31 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.24 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.515 0.326 . . . . 1.0 110.798 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.503 ' O ' ' SD ' ' A' 1842 ' ' MET . 3.2 ppp? -113.96 34.13 4.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.623 0.249 . . . . 1.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -37.21 115.47 0.39 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.025 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1844 ' ' LEU . . . . . 0.587 ' CD1' ' H ' ' A' 1844 ' ' LEU . 0.4 OUTLIER -90.73 137.31 27.07 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.978 -179.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1845 ' ' PRO . . . . . 0.411 ' C ' ' O ' ' A' 1844 ' ' LEU . 65.8 Cg_exo -37.4 129.97 0.67 Allowed 'Trans proline' 0 N--CA 1.486 1.087 0 C-N-CA 121.906 1.737 . . . . 1.0 111.277 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 18.9 mtt -105.72 131.74 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 1.0 111.226 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -87.14 -175.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.707 -1.219 . . . . 1.0 107.707 178.56 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' 1850 ' ' ASP . 0.1 OUTLIER 3.3 114.84 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.303 1.002 . . . . 1.0 112.739 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 6.59 -48.24 0.0 OUTLIER Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.028 1.171 . . . . 1.0 116.028 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.807 ' N ' ' O ' ' A' 1848 ' ' SER . 24.8 t70 -135.39 66.97 1.5 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.937 0.868 . . . . 1.0 111.368 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' 1847 ' ' VAL . 11.9 ttp180 -168.68 138.44 2.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 120.384 -0.526 . . . . 1.0 111.666 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 13.9 mt -109.8 147.88 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.517 0.675 . . . . 1.0 112.31 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -83.68 125.41 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.514 -1.221 . . . . 1.0 112.249 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 52.6 t -60.62 -43.76 97.12 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.248 -0.181 . . . . 1.0 110.617 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.88 -36.61 62.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.063 -0.655 . . . . 1.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.92 -45.09 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.202 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.57 -44.27 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.25 -49.31 76.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.432 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1859 ' ' PHE . . . . . 0.445 ' O ' ' OG1' ' A' 1862 ' ' THR . 0.1 OUTLIER -63.71 -51.63 64.17 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.437 -178.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -53.99 -35.47 61.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.049 -0.661 . . . . 1.0 110.756 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.29 -26.92 60.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.568 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1862 ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' 1859 ' ' PHE . 23.6 p -77.13 -35.65 56.07 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' 1867 ' ' GLY . 48.0 mtmt -73.75 -49.05 27.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.324 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1864 ' ' ARG . . . . . 0.401 HH22 ' NE2' ' A' 1838 ' ' GLN . 50.0 ttt180 -52.58 -41.55 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.428 0.632 . . . . 1.0 111.629 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 87.7 t -81.24 -15.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.942 -1.026 . . . . 1.0 110.94 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1866 ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' 1868 ' ' GLU . 47.8 tp -104.29 -15.49 15.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.671 0.272 . . . . 1.0 111.106 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1867 ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -75.57 20.0 2.35 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.716 -0.754 . . . . 1.0 111.286 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1868 ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' 1866 ' ' LEU . 38.3 mt-10 -81.54 -69.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.021 0.439 . . . . 1.0 110.467 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 53.4 p -154.2 59.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1870 ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' 1872 ' ' MET . . . -178.53 132.0 1.84 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 6.1 tp10 65.56 -4.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.931 0.396 . . . . 1.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1872 ' ' MET . . . . . 0.505 ' H ' ' C ' ' A' 1870 ' ' GLY . 11.0 ptm -72.49 -17.01 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.585 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.57 -25.5 45.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -47.13 -29.77 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 5.2 mp -79.73 -33.43 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.652 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -62.35 -19.79 63.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.599 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 11.8 mm -77.7 -20.55 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.441 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.64 -28.49 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 87.3 mtp -48.7 -56.4 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1880 ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' 1880 ' ' GLU . 4.1 mp0 -55.36 -38.6 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.469 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' 1880 ' ' GLU . 44.4 tt0 59.17 148.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.628 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.555 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.798 0.332 . . . . 1.0 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -156.79 16.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.732 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -87.23 -25.25 24.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1780 ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' 1782 ' ' ALA . 6.1 p 179.27 84.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 9.3 p -65.44 0.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.453 0.644 . . . . 1.0 110.395 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' 1780 ' ' SER . . . 39.27 71.45 0.17 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.062 -0.972 . . . . 1.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -48.06 7.32 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.88 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.52 -25.82 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 22.7 t -79.02 51.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -177.33 71.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.588 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1788 ' ' GLU . . . . . 0.529 ' CD ' ' H ' ' A' 1788 ' ' GLU . 2.1 pm0 -94.35 152.94 40.52 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.999 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.57 -71.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.313 2.009 . . . . 1.0 112.061 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.25 115.38 30.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.346 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 57.9 m -101.04 173.84 6.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.76 -30.51 63.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.38 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.43 -29.09 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.627 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.73 -43.37 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -50.8 -49.18 59.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.985 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.86 -48.9 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1797 ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' 1797 ' ' MET . 17.5 tmm? -55.58 -36.6 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.473 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1798 ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.4 t80 -61.92 -42.33 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.476 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.56 -31.89 69.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 1.0 110.042 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.55 -40.93 88.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.153 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 26.3 t -78.06 -38.97 24.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1802 ' ' TRP . . . . . 0.434 ' CZ3' ' SG ' ' A' 1854 ' ' CYS . 28.4 t-105 -54.6 -42.97 71.76 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.108 -0.637 . . . . 1.0 110.715 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -55.33 -29.92 59.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.494 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -68.1 -35.3 77.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.369 0.604 . . . . 1.0 112.422 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -96.48 -6.75 36.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.842 -1.072 . . . . 1.0 111.297 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -157.11 86.01 2.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.29 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -82.5 -5.01 11.73 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.279 1.986 . . . . 1.0 111.848 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.68 -4.91 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.182 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.59 28.41 16.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 2.8 p -68.54 -31.56 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.229 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 73.64 22.15 2.66 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.998 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -130.56 152.93 49.4 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.46 146.27 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.77 0.714 . . . . 1.0 109.714 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.33 144.27 30.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -58.14 -43.96 87.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.971 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -53.58 -25.32 16.76 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.315 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.1 3.7 22.25 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.432 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.1 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.218 -0.593 . . . . 1.0 109.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.1 p -66.63 -34.85 78.78 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.6 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.63 -24.02 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 51.6 t80 -82.3 -47.73 12.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.902 -1.044 . . . . 1.0 111.066 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.82 31.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.352 -0.84 . . . . 1.0 112.55 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1823 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1823 ' ' ASP . 7.6 t0 -94.28 2.41 55.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.028 0.442 . . . . 1.0 110.136 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.64 26.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.086 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 84.2 mt -72.53 168.92 17.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 1.0 110.804 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -115.14 149.99 43.56 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.477 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -45.25 148.42 1.9 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.448 1.432 . . . . 1.0 111.518 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -89.55 49.49 0.98 Allowed 'Cis proline' 0 N--CA 1.5 1.887 0 CA-C-N 119.777 0.956 . . . . 1.0 111.99 -0.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.22 -2.84 3.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.214 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 19.9 tp -82.37 122.85 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 1.0 112.357 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.48 ' CG2' ' OD1' ' A' 1835 ' ' ASN . 16.0 mt -112.31 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.01 152.38 16.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.141 0.496 . . . . 1.0 112.113 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1833 ' ' LYS . . . . . 0.401 ' HA ' HD21 ' A' 1835 ' ' ASN . 32.1 mttm -96.01 156.82 36.71 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 108.787 -0.82 . . . . 1.0 108.787 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.06 118.45 5.78 Favored 'Cis proline' 0 N--CA 1.499 1.837 0 C-N-CA 124.294 -1.128 . . . . 1.0 112.647 0.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.703 HD21 ' H ' ' A' 1835 ' ' ASN . 0.0 OUTLIER -138.73 67.11 1.41 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.889 -0.724 . . . . 1.0 111.447 178.39 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -83.8 -34.49 24.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.077 0.942 . . . . 1.0 110.507 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 12.1 t -63.62 -47.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 113.634 -1.621 . . . . 1.0 110.165 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -50.34 -26.28 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.193 -0.603 . . . . 1.0 109.552 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.68 -35.6 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.114 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 77.5 mt -74.75 -41.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.386 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.18 -28.19 64.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.416 -0.178 . . . . 1.0 110.765 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' 1843 ' ' ASP . 32.4 ttp -112.97 35.33 3.96 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1843 ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' 1842 ' ' MET . 42.0 t0 -33.08 106.48 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.224 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 5.3 mp -80.43 132.7 58.1 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.516 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -40.21 126.66 2.03 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.716 1.611 . . . . 1.0 111.292 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 22.8 mtt -103.14 133.27 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 1.0 110.868 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' 1851 ' ' ARG . 0.0 OUTLIER -89.89 -176.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.678 -0.86 . . . . 1.0 108.678 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' 1850 ' ' ASP . 7.0 t 2.94 112.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.301 1.0 . . . . 1.0 112.749 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 15.22 -54.58 0.0 OUTLIER Glycine 0 CA--C 1.541 1.71 0 O-C-N 124.491 1.119 . . . . 1.0 115.713 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.809 ' N ' ' O ' ' A' 1848 ' ' SER . 16.3 t0 -134.41 70.08 1.45 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 117.312 0.556 . . . . 1.0 111.877 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' 1847 ' ' VAL . 34.3 mtm180 -165.17 134.65 3.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.834 0.35 . . . . 1.0 111.775 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.22 142.35 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.569 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -82.81 123.76 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 1.0 111.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1854 ' ' CYS . . . . . 0.434 ' SG ' ' CZ3' ' A' 1802 ' ' TRP . 29.7 t -63.34 -35.76 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.478 179.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.45 -39.43 79.84 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.236 -0.586 . . . . 1.0 109.484 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.44 -44.75 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.267 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1857 ' ' ILE . . . . . 0.417 HG21 HD12 ' A' 1857 ' ' ILE . 96.8 mt -58.07 -44.97 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.056 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.59 -49.69 74.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 1.0 111.387 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 18.0 t80 -70.12 -36.3 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.33 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.956 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -75.19 -21.52 58.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.94 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.7 m -77.63 -32.95 53.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.0 0.428 . . . . 1.0 110.277 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.471 ' NZ ' ' OE2' ' A' 1871 ' ' GLU . 24.0 mtpp -79.17 -46.04 18.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.031 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -51.02 -41.44 59.81 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.5 0.556 . . . . 1.0 112.5 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 3.3 t -38.69 -48.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.872 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1866 ' ' LEU . . . . . 0.407 HD11 ' H ' ' A' 1866 ' ' LEU . 3.4 mp -93.43 -41.39 9.84 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.147 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . 36.73 43.85 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.541 -0.623 . . . . 1.0 111.541 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -155.73 66.64 0.61 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1869 ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' 1870 ' ' GLY . 4.8 t 64.29 29.92 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.216 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1870 ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' 1872 ' ' MET . . . -42.19 -96.15 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1871 ' ' GLU . . . . . 0.471 ' OE2' ' NZ ' ' A' 1863 ' ' LYS . 76.8 mm-40 53.18 9.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 1.0 110.505 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1872 ' ' MET . . . . . 0.507 ' H ' ' C ' ' A' 1870 ' ' GLY . 37.1 tpp -78.22 -28.94 48.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.65 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.59 -15.15 60.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.721 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -78.84 -34.38 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.599 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.31 -29.0 38.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.487 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1876 ' ' ARG . . . . . 0.526 ' C ' ' H ' ' A' 1878 ' ' GLN . 1.1 mmp_? -92.95 14.09 18.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.24 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 8.1 tp -63.37 1.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.393 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1878 ' ' GLN . . . . . 0.526 ' H ' ' C ' ' A' 1876 ' ' ARG . 34.3 tp60 69.36 27.75 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.029 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1879 ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' 1879 ' ' MET . 2.5 mpp? 41.74 27.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.772 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -12.93 5.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.519 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.14 50.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.552 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.607 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1777 ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' 1777 ' ' GLU . 23.1 mp0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.695 0.283 . . . . 1.0 110.672 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1778 ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' 1777 ' ' GLU . 8.5 m120 56.71 112.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.03 -162.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.554 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1780 ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' 1782 ' ' ALA . 5.9 m -161.57 44.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.505 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 3.8 m -77.0 21.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.187 0.518 . . . . 1.0 110.443 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' 1780 ' ' SER . . . -80.24 55.55 2.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.24 125.22 22.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.111 0.482 . . . . 1.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.09 -16.44 61.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.54 -11.92 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.617 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 38.6 t -78.1 64.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.623 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -76.2 99.21 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -144.56 152.27 52.62 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.957 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -71.65 -55.08 0.13 Allowed 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.08 1.853 . . . . 1.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 2.5 tt -85.78 95.38 9.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.238 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 41.8 m -102.36 179.17 4.38 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.99 -32.48 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.626 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1793 ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' 1794 ' ' ASP . 28.4 p-10 -48.36 -28.83 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.469 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1794 ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.0 m-20 -78.13 -42.99 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.458 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -51.26 -49.85 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.235 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.85 -51.06 52.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 38.7 ttp -52.64 -35.36 54.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.6 -39.9 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.448 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -70.39 -31.51 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.026 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -60.51 -45.57 93.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 1.0 110.275 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.6 t -72.48 -38.74 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 119.842 -0.743 . . . . 1.0 109.211 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.13 -42.14 76.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.383 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -56.72 -28.58 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.461 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 53.1 mttm -68.62 -34.65 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 1.0 112.359 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -98.05 -4.76 35.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.089 -0.96 . . . . 1.0 111.093 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.407 ' OD1' ' OG1' ' A' 1810 ' ' THR . 38.0 t0 -154.75 82.82 4.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.672 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.58 -7.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.214 1.943 . . . . 1.0 111.882 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.86 -4.92 58.82 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.262 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.43 26.78 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.407 ' OG1' ' OD1' ' A' 1806 ' ' ASP . 13.7 p -66.38 -31.31 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 75.7 20.53 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.648 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -130.76 155.9 45.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.081 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.43 147.16 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -80.35 141.02 35.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.793 0.33 . . . . 1.0 111.161 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.99 -45.22 79.05 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.397 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.28 -23.81 38.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 1.0 110.726 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -107.28 0.38 23.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.103 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.67 -24.67 63.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.85 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1819 ' ' SER . . . . . 0.527 ' OG ' ' NZ ' ' A' 1836 ' ' LYS . 60.9 m -74.43 -34.93 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 58.0 t0 -68.97 -22.5 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 56.8 t80 -82.81 -47.39 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.666 -1.152 . . . . 1.0 111.02 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.77 34.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.578 -0.737 . . . . 1.0 112.539 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -93.72 1.95 56.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.926 0.393 . . . . 1.0 110.137 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.77 -26.36 27.62 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.145 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 79.0 mt -72.67 164.72 26.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.127 0.489 . . . . 1.0 110.7 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1826 ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.1 OUTLIER -110.71 152.56 43.55 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.07 178.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -46.46 146.83 4.69 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.035 1.157 . . . . 1.0 110.81 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -88.77 47.33 1.09 Allowed 'Cis proline' 0 N--CA 1.502 2.004 0 CA-C-N 120.011 1.04 . . . . 1.0 112.078 0.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 80.1 mt -131.79 -3.06 3.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.912 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.4 tp -81.56 122.64 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.509 . . . . 1.0 112.167 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.459 ' CG2' ' ND2' ' A' 1835 ' ' ASN . 67.7 mt -115.27 106.45 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 107.663 -1.236 . . . . 1.0 107.663 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.92 150.73 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.651 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.23 159.27 30.56 Favored Pre-proline 0 N--CA 1.464 0.236 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.49 121.16 7.76 Favored 'Cis proline' 0 N--CA 1.502 2.028 0 C-N-CA 124.41 -1.079 . . . . 1.0 112.416 0.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.459 ' ND2' ' CG2' ' A' 1831 ' ' ILE . 15.6 p-10 -138.09 67.56 1.41 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.332 -0.947 . . . . 1.0 112.327 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1836 ' ' LYS . . . . . 0.527 ' NZ ' ' OG ' ' A' 1819 ' ' SER . 15.1 tptt -82.95 -32.73 26.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.955 0.883 . . . . 1.0 110.132 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.2 t -68.4 -31.42 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 113.702 -1.59 . . . . 1.0 110.268 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -67.1 -30.1 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 1.0 109.228 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -79.83 -33.63 40.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.648 -1.16 . . . . 1.0 111.333 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1840 ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' 1842 ' ' MET . 85.9 mt -74.49 -41.47 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 120.593 -0.443 . . . . 1.0 110.564 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -71.77 40.01 0.07 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.154 -0.341 . . . . 1.0 111.157 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.507 ' H ' ' C ' ' A' 1840 ' ' ILE . 1.9 ppp? -177.21 27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 1.0 109.831 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -34.92 122.83 0.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.182 -0.917 . . . . 1.0 111.24 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1844 ' ' LEU . . . . . 0.508 ' O ' ' SD ' ' A' 1846 ' ' MET . 1.6 mp -95.89 141.3 22.97 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.768 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.23 131.21 3.28 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.598 1.532 . . . . 1.0 111.183 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1846 ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' 1844 ' ' LEU . 3.3 mmt -105.58 130.72 53.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.194 0.521 . . . . 1.0 111.205 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.509 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -88.49 -176.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.434 -0.803 . . . . 1.0 108.87 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' 1850 ' ' ASP . 2.3 p 2.94 112.31 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.423 1.077 . . . . 1.0 112.805 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 11.06 -51.84 0.0 OUTLIER Glycine 0 CA--C 1.543 1.828 0 N-CA-C 116.565 1.386 . . . . 1.0 116.565 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.767 ' N ' ' O ' ' A' 1848 ' ' SER . 23.1 m-20 -131.28 63.35 1.6 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.892 0.846 . . . . 1.0 112.216 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' 1847 ' ' VAL . 40.8 ttp180 -168.62 143.09 3.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.818 -0.753 . . . . 1.0 112.569 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1852 ' ' ILE . . . . . 0.427 HD11 HG22 ' A' 1852 ' ' ILE . 11.0 mt -105.13 165.46 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 116.043 -0.526 . . . . 1.0 112.29 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -103.8 122.63 45.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.065 -0.971 . . . . 1.0 111.045 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 8.3 t -61.85 -43.51 98.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.934 -0.121 . . . . 1.0 111.139 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.58 -37.8 51.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.5 -44.89 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -46.08 85.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.528 -0.305 . . . . 1.0 110.588 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.45 -50.36 74.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.119 0.485 . . . . 1.0 111.102 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.93 -34.03 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.682 -0.69 . . . . 1.0 111.572 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.92 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.926 -0.71 . . . . 1.0 111.265 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -75.11 -26.14 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.734 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.2 m -74.08 -34.26 63.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.042 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' 1867 ' ' GLY . 6.6 ttpm? -77.83 -45.82 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.4 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -51.78 -41.64 61.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.276 0.56 . . . . 1.0 111.458 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 94.3 t -80.36 -14.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.099 -0.955 . . . . 1.0 110.682 178.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.9 tp -102.89 -10.69 18.83 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.978 0.418 . . . . 1.0 110.62 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1867 ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -55.82 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1868 ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' 1868 ' ' GLU . 19.5 mp0 -73.31 66.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 44.6 t -172.62 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.724 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -82.71 160.37 39.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 1.0 111.186 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.15 -5.67 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 1.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 5.2 mmt -54.62 -30.44 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.411 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -58.87 -15.56 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.14 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.76 -17.05 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.64 -30.65 61.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1877 ' ' ILE . . . . . 0.538 ' C ' ' H ' ' A' 1879 ' ' MET . 63.5 mt -66.0 -76.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.592 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -50.49 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.741 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1879 ' ' MET . . . . . 0.538 ' H ' ' C ' ' A' 1877 ' ' ILE . 13.4 tpt -159.38 84.42 0.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.516 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 59.57 5.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -57.14 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.62 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.798 0.332 . . . . 1.0 110.559 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -154.49 38.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 38.1 p90 -170.32 25.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1780 ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' 1781 ' ' VAL . 43.8 t -57.59 -164.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1781 ' ' VAL . . . . . 0.477 ' N ' ' OG ' ' A' 1780 ' ' SER . 11.9 p -64.42 -5.18 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.434 0.635 . . . . 1.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.429 ' H ' ' C ' ' A' 1780 ' ' SER . . . 46.91 -135.74 0.88 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.421 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 14.3 t -110.3 -37.4 5.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.322 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1784 ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' 1786 ' ' SER . 12.8 mm-40 55.8 -119.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.616 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 52.79 -85.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.393 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1786 ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' 1784 ' ' GLU . 19.7 t -87.4 72.01 9.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.48 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -156.9 179.17 9.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.575 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.83 149.25 77.08 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.274 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.35 -8.56 22.89 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.12 1.88 . . . . 1.0 111.854 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.33 151.01 20.05 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.113 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 7.4 t -124.51 150.35 45.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.526 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1792 ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' 1792 ' ' GLU . 5.1 mp0 -70.16 -38.64 75.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 1.0 110.255 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -48.45 -28.55 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.1 -45.8 46.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.428 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -50.12 -48.87 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.051 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.59 -52.43 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -37.35 69.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.506 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1798 ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.8 t80 -62.65 -42.38 99.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.76 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -71.61 -31.19 66.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.45 -41.65 97.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.147 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 42.3 t -74.76 -38.81 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -58.85 -39.64 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.628 -0.829 . . . . 1.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.33 -30.76 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.458 . . . . 1.0 112.235 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -68.7 -27.33 65.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.54 0.686 . . . . 1.0 110.692 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -67.07 -73.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.791 -1.095 . . . . 1.0 111.353 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.41 115.94 33.85 Favored Pre-proline 0 CA--C 1.54 0.582 0 O-C-N 122.365 -0.209 . . . . 1.0 110.578 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -80.84 6.44 5.52 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.081 1.854 . . . . 1.0 112.057 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -81.06 -18.95 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.168 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 70.89 27.31 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 1.0 110.237 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1811 ' ' GLN . 12.3 p -67.37 -32.91 74.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.674 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1811 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 1810 ' ' THR . 1.6 tp-100 78.94 18.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -127.59 154.91 44.64 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.709 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1813 ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' 1851 ' ' ARG . 13.2 tt -140.49 147.05 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -78.23 135.09 37.52 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.482 0.549 . . . . 1.0 112.482 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.92 -44.42 66.98 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.996 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.73 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.089 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -112.03 6.7 19.46 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.418 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.42 -29.34 67.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.829 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.4 p -67.56 -34.67 77.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.62 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.89 -26.11 65.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 63.5 t80 -79.58 -48.65 13.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.623 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.3 -37.34 35.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.237 -0.892 . . . . 1.0 112.099 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.73 1.2 56.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.884 0.373 . . . . 1.0 110.486 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.88 -24.15 24.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.146 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.03 166.71 23.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.663 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.99 150.02 41.76 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.154 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1827 ' ' PRO . . . . . 0.401 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.6 Cg_exo -45.92 148.9 2.45 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.247 1.298 . . . . 1.0 111.021 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -88.23 47.28 1.03 Allowed 'Cis proline' 0 N--CA 1.5 1.876 0 CA-C-N 119.72 0.936 . . . . 1.0 112.188 -0.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1829 ' ' LEU . . . . . 0.401 ' H ' ' HA ' ' A' 1827 ' ' PRO . 10.5 mt -131.61 -3.75 3.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.541 0.21 . . . . 1.0 110.732 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 13.8 tp -80.89 124.21 28.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.157 0.503 . . . . 1.0 112.183 -178.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.415 ' CG2' ' NE2' ' A' 1838 ' ' GLN . 21.9 mt -115.76 106.16 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 107.85 -1.167 . . . . 1.0 107.85 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.13 149.9 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 1.0 111.467 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -97.72 155.98 36.56 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.94 126.9 13.55 Favored 'Cis proline' 0 N--CA 1.503 2.086 0 C-N-CA 124.643 -0.982 . . . . 1.0 112.689 0.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.418 HD21 ' N ' ' A' 1835 ' ' ASN . 0.4 OUTLIER -143.07 66.77 1.31 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.154 -1.018 . . . . 1.0 111.978 177.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -82.6 -31.64 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.001 0.905 . . . . 1.0 110.257 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 10.9 t -67.64 -32.8 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 113.821 -1.536 . . . . 1.0 110.629 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1838 ' ' GLN . . . . . 0.415 ' NE2' ' CG2' ' A' 1831 ' ' ILE . 23.3 mt-30 -69.15 -30.32 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.554 . . . . 1.0 110.035 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.92 -34.86 44.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.362 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.83 -41.45 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1841 ' ' ALA . . . . . 0.415 ' C ' ' H ' ' A' 1843 ' ' ASP . . . -61.45 -25.82 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.586 0.231 . . . . 1.0 110.841 178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' 1843 ' ' ASP . 20.0 ttm -75.81 16.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.605 0.362 . . . . 1.0 111.389 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1843 ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' 1842 ' ' MET . 11.4 t70 20.65 53.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.23 113.18 10.33 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.999 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.88 136.07 22.84 Favored 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 120.855 1.037 . . . . 1.0 109.597 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 10.0 mtp -124.66 126.07 45.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.649 . . . . 1.0 112.751 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' 1848 ' ' SER . 27.5 m -86.28 -174.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 175.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.549 ' O ' ' N ' ' A' 1850 ' ' ASP . 5.3 t -24.22 125.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.221 0.325 . . . . 1.0 111.431 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1849 ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' 1848 ' ' SER . . . -27.78 -35.53 0.01 OUTLIER Glycine 0 N--CA 1.472 1.069 0 O-C-N 123.494 0.497 . . . . 1.0 112.558 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' 1848 ' ' SER . 32.4 t0 -39.26 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' 1813 ' ' ILE . 0.1 OUTLIER -142.68 -178.66 5.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.188 0.518 . . . . 1.0 112.272 -176.785 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 3.3 mp -117.26 153.58 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.21 -177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -69.96 121.48 17.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.712 -1.131 . . . . 1.0 110.763 178.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 32.1 t -58.95 -42.83 90.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.62 -41.5 61.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.721 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.59 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.293 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 86.6 mt -58.32 -44.81 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.197 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.1 tp -64.12 -50.73 67.11 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.692 0.282 . . . . 1.0 110.927 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -66.2 -39.67 89.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.08 0.467 . . . . 1.0 110.788 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.05 90.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -74.54 -22.12 59.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.802 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.3 p -80.26 -31.83 38.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.118 0.485 . . . . 1.0 109.989 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -79.13 -46.65 17.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1864 ' ' ARG . . . . . 0.521 ' NH1' ' OE1' ' A' 1868 ' ' GLU . 12.9 ttp85 -51.67 -41.03 61.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 3.3 t -37.77 -49.34 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.236 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1866 ' ' LEU . . . . . 0.511 ' C ' ' H ' ' A' 1868 ' ' GLU . 4.5 mm? -90.64 -38.64 12.98 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -55.59 -6.48 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1868 ' ' GLU . . . . . 0.521 ' OE1' ' NH1' ' A' 1864 ' ' ARG . 11.5 tp10 -113.06 104.74 12.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.398 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 14.2 m 59.24 2.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1870 ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' 1868 ' ' GLU . . . -99.87 175.8 27.86 Favored Glycine 0 N--CA 1.466 0.638 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -175.47 -9.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 1.0 110.569 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 30.1 tpp -55.04 -18.97 5.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.248 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -69.03 -20.83 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.661 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.54 66.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.613 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.2 -28.66 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -68.75 -26.43 65.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1877 ' ' ILE . . . . . 0.528 ' C ' ' H ' ' A' 1879 ' ' MET . 95.7 mt -51.11 -56.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 1.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -76.63 34.13 0.14 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.706 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1879 ' ' MET . . . . . 0.528 ' H ' ' C ' ' A' 1877 ' ' ILE . 55.5 mtt 55.45 47.02 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.25 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.76 36.3 26.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.563 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 54.6 60.88 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.565 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1777 ' ' GLU . . . . . 0.535 ' H ' ' CD ' ' A' 1777 ' ' GLU . 1.3 pm0 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.878 0.371 . . . . 1.0 110.523 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 19.9 t30 -68.22 96.05 0.62 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.34 125.33 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.612 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1780 ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' 1781 ' ' VAL . 90.9 p -172.49 108.3 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1781 ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' 1780 ' ' SER . 35.1 m 36.83 -160.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.264 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -163.59 24.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.735 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1783 ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' 1785 ' ' GLU . 0.0 OUTLIER -69.26 120.98 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.96 0.409 . . . . 1.0 110.502 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 37.22 -89.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.982 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1785 ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' 1783 ' ' THR . 11.2 pt-20 -68.87 -135.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.439 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 72.2 p -173.9 133.19 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.775 0.322 . . . . 1.0 110.354 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . 46.33 93.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.439 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1788 ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' A' 1788 ' ' GLU . 1.5 pm0 -45.06 146.56 1.39 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -39.41 -64.96 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.218 1.945 . . . . 1.0 112.553 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 3.3 tt -89.13 102.34 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.719 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 47.3 t -103.11 178.72 4.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.461 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.52 -31.93 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -48.47 -30.73 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.675 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.95 -42.88 37.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.599 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -51.25 -50.0 60.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.182 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.67 -51.74 46.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.753 0.311 . . . . 1.0 110.416 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 54.6 ttp -52.47 -34.9 51.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.369 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1798 ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' 1798 ' ' PHE . 33.1 t80 -64.15 -40.25 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.16 -30.77 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.354 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -61.91 -44.25 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 1.0 110.423 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 25.0 t -72.83 -38.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 119.851 -0.74 . . . . 1.0 109.132 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -56.23 -41.98 76.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.994 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.21 -29.06 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.593 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.23 -34.24 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.548 0.689 . . . . 1.0 112.239 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.39 -5.06 37.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.868 -1.06 . . . . 1.0 111.054 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' 1811 ' ' GLN . 52.2 t0 -154.1 82.52 4.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 1.0 110.551 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.75 -9.3 13.31 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.358 2.039 . . . . 1.0 112.315 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -85.94 -4.42 59.16 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.92 -179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 64.97 25.96 12.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.335 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.428 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 11.0 p -67.27 -32.71 73.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1811 ' ' GLN . . . . . 0.488 ' O ' ' SG ' ' A' 1854 ' ' CYS . 0.0 OUTLIER 77.95 20.02 1.04 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.521 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -129.07 154.44 46.67 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.229 -0.656 . . . . 1.0 109.229 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 9.6 tt -140.12 147.56 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.967 -0.458 . . . . 1.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1814 ' ' GLU . . . . . 0.521 ' CD ' ' HZ3' ' A' 1817 ' ' LYS . 50.9 mt-10 -79.02 136.81 37.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.918 0.39 . . . . 1.0 111.584 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -52.23 -45.39 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.083 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.03 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1817 ' ' LYS . . . . . 0.521 ' HZ3' ' CD ' ' A' 1814 ' ' GLU . 35.0 mtmm -107.86 4.43 25.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.981 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.8 tp -70.9 -22.28 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.407 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 2.3 m -77.42 -35.0 54.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.011 0.434 . . . . 1.0 109.894 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.25 -24.27 64.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.0 109.294 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 61.6 t80 -81.22 -48.01 12.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.911 -1.041 . . . . 1.0 110.906 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.54 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.59 -0.732 . . . . 1.0 112.484 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.23 1.4 56.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.852 0.358 . . . . 1.0 110.469 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.47 26.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.954 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 82.4 mt -73.4 165.67 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.15 0.5 . . . . 1.0 110.587 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.85 157.9 37.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.259 -1.015 . . . . 1.0 108.259 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1827 ' ' PRO . . . . . 0.432 ' HA ' ' H ' ' A' 1829 ' ' LEU . 15.9 Cg_endo -55.62 147.62 58.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.024 1.816 . . . . 1.0 110.554 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -88.06 48.11 0.94 Allowed 'Cis proline' 0 N--CA 1.5 1.893 0 CA-C-N 119.758 0.949 . . . . 1.0 112.879 0.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1829 ' ' LEU . . . . . 0.432 ' H ' ' HA ' ' A' 1827 ' ' PRO . 67.1 mt -130.75 -3.11 4.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.82 0.343 . . . . 1.0 110.147 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.72 123.22 28.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.572 0.582 . . . . 1.0 112.572 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 23.9 mt -114.11 105.76 19.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.061 -1.459 . . . . 1.0 107.061 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -58.22 150.88 20.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.197 0.523 . . . . 1.0 111.938 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 32.1 mttm -96.44 158.15 34.28 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.59 118.41 5.77 Favored 'Cis proline' 0 N--CA 1.499 1.802 0 C-N-CA 124.749 -0.938 . . . . 1.0 112.347 -0.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' 1835 ' ' ASN . 8.6 p-10 -142.03 67.26 1.33 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 119.327 -0.949 . . . . 1.0 111.681 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 47.1 tttt -83.5 -31.58 26.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.322 1.058 . . . . 1.0 110.292 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 20.1 t -64.11 -47.81 88.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 113.328 -1.76 . . . . 1.0 110.724 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 22.2 mp0 -51.06 -26.65 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.345 0.593 . . . . 1.0 109.42 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.45 -34.88 47.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.955 -1.021 . . . . 1.0 111.476 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1840 ' ' ILE . . . . . 0.476 ' C ' ' H ' ' A' 1842 ' ' MET . 82.8 mt -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.335 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.31 42.36 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.573 0.225 . . . . 1.0 110.471 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.476 ' H ' ' C ' ' A' 1840 ' ' ILE . 7.5 mtt -122.38 -20.42 6.12 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.638 0.375 . . . . 1.0 110.47 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 35.3 t0 47.9 48.58 17.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 1.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 11.4 mt -82.04 117.97 70.3 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.674 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.67 138.19 2.51 Favored 'Trans proline' 0 N--CA 1.486 1.064 0 C-N-CA 121.5 1.467 . . . . 1.0 110.672 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 5.9 mtt -120.2 125.49 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.165 0.507 . . . . 1.0 111.601 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' 1848 ' ' SER . 23.7 m -94.42 -174.84 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.579 ' O ' ' N ' ' A' 1850 ' ' ASP . 24.4 m -18.84 118.21 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.647 0.592 . . . . 1.0 111.294 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1849 ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' 1848 ' ' SER . . . -25.82 -36.25 0.01 OUTLIER Glycine 0 N--CA 1.474 1.205 0 O-C-N 123.583 0.552 . . . . 1.0 112.78 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' 1848 ' ' SER . 1.8 m-20 -43.98 -68.14 0.22 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.09 -175.95 4.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.386 0.884 . . . . 1.0 113.386 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 3.5 mp -119.57 161.39 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.648 -177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -77.04 121.73 23.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1854 ' ' CYS . . . . . 0.488 ' SG ' ' O ' ' A' 1811 ' ' GLN . 5.1 p -60.03 -44.32 94.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.103 -0.498 . . . . 1.0 111.033 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.34 -38.61 54.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.152 -0.619 . . . . 1.0 110.159 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 19.9 t0 -73.32 -43.03 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.582 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.23 -44.98 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.2 -50.47 73.91 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.086 0.47 . . . . 1.0 110.992 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.44 -29.39 70.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.469 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.42 69.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 1.0 111.315 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.69 -30.81 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.593 -1.185 . . . . 1.0 110.306 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 52.2 m -71.96 -34.1 68.71 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 120.395 -0.522 . . . . 1.0 109.768 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' 1867 ' ' GLY . 60.9 tttt -77.78 -46.09 22.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.165 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -52.13 -41.91 62.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.264 0.554 . . . . 1.0 111.572 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 88.2 t -80.78 -14.24 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.823 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.89 -12.12 17.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.967 0.413 . . . . 1.0 110.671 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1867 ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -87.43 84.47 1.53 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.118 -0.793 . . . . 1.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -171.99 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.788 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 6.6 t -177.86 4.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1870 ' ' GLY . . . . . 0.53 ' C ' ' H ' ' A' 1872 ' ' MET . . . -85.08 -108.94 0.66 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 45.1 tt0 66.92 -8.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 1.0 110.733 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1872 ' ' MET . . . . . 0.53 ' H ' ' C ' ' A' 1870 ' ' GLY . 64.6 mtp -92.76 -17.16 24.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.505 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.75 -14.83 59.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -94.86 2.1 55.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.665 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 8.4 tt -96.35 -33.31 11.98 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.666 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1876 ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' 1879 ' ' MET . 0.5 OUTLIER -82.67 -70.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.643 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1877 ' ' ILE . . . . . 0.504 ' H ' ' CD1' ' A' 1877 ' ' ILE . 1.9 mp -44.09 -21.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 1.0 110.566 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1878 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1876 ' ' ARG . 63.1 tp60 -83.32 -31.99 26.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 1.0 110.575 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1879 ' ' MET . . . . . 0.517 ' N ' ' O ' ' A' 1876 ' ' ARG . 16.8 tpt -51.62 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.443 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -109.8 51.49 0.75 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.871 0.367 . . . . 1.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' 1882 ' ' ARG . 30.9 mt-10 47.83 -139.61 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.473 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1882 ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' 1881 ' ' GLU . 77.7 mtt-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.819 0.342 . . . . 1.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -71.84 112.28 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1779 ' ' PHE . . . . . 0.526 ' O ' ' CD2' ' A' 1779 ' ' PHE . 73.3 t80 -70.77 -5.85 33.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 34.5 t -66.69 113.22 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 9.1 p -53.67 137.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -80.9 171.55 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.709 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.6 121.65 24.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.217 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -100.88 5.3 43.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.242 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -163.21 142.24 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.629 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1786 ' ' SER . . . . . 0.467 ' O ' ' CB ' ' A' 1787 ' ' ALA . 6.8 m -76.16 -154.26 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.689 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1787 ' ' ALA . . . . . 0.467 ' CB ' ' O ' ' A' 1786 ' ' SER . . . 83.81 146.97 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.6 150.95 2.21 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.368 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.23 -25.82 21.67 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.226 1.95 . . . . 1.0 112.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.06 108.88 20.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 38.5 m -105.68 163.89 12.34 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.085 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1792 ' ' GLU . . . . . 0.541 ' H ' ' CD ' ' A' 1792 ' ' GLU . 1.4 pm0 -44.3 -31.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 1.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -48.47 -33.1 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.576 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -72.7 -44.61 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.557 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -50.23 -48.63 54.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.029 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.12 -53.33 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.255 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.7 -35.98 64.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.772 0.32 . . . . 1.0 110.454 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -70.23 -30.8 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.83 -41.11 95.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.253 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 34.6 t -76.42 -39.0 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -54.7 -42.75 71.82 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.739 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.91 -29.6 42.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.566 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.1 -35.55 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.793 0.664 . . . . 1.0 112.793 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -94.88 -8.14 38.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.354 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.4 88.1 1.82 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.703 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.07 -1.25 10.32 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.372 2.048 . . . . 1.0 111.479 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1808 ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' 1808 ' ' ASP . 54.1 t0 -87.99 -7.85 56.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.273 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.21 28.11 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 10.8 p -68.69 -31.97 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.05 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 75.13 22.06 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1812 ' ' PHE . . . . . 0.47 ' CD1' ' NE ' ' A' 1851 ' ' ARG . 50.6 m-85 -129.36 151.83 49.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.67 146.64 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -80.22 141.42 35.63 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.08 -44.71 79.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.15 -23.82 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.813 0.339 . . . . 1.0 110.662 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.46 0.05 24.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.264 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -68.9 -24.58 64.33 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.378 -0.529 . . . . 1.0 110.525 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1819 ' ' SER . . . . . 0.536 ' O ' ' NZ ' ' A' 1833 ' ' LYS . 30.8 p -74.69 -35.71 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.385 -0.526 . . . . 1.0 110.103 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -68.82 -23.54 64.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 60.8 t80 -82.84 -47.35 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.188 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.05 -37.19 32.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.136 -0.938 . . . . 1.0 112.701 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.06 3.09 55.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.096 0.475 . . . . 1.0 110.134 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.66 -25.28 26.66 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.362 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 78.5 mt -72.44 166.47 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.69 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.62 151.38 43.31 Favored Pre-proline 0 N--CA 1.465 0.309 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -46.4 146.75 4.66 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.202 1.268 . . . . 1.0 111.049 179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.71 48.44 0.98 Allowed 'Cis proline' 0 N--CA 1.501 1.956 0 CA-C-N 119.936 1.013 . . . . 1.0 112.05 -0.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 85.1 mt -132.75 -3.64 3.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.66 0.267 . . . . 1.0 110.917 -179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.1 tp -80.63 124.87 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 55.6 mt -115.16 104.63 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 107.355 -1.35 . . . . 1.0 107.355 177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.561 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.36 151.33 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1833 ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' 1819 ' ' SER . 39.5 mttp -91.69 155.94 43.28 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -87.63 105.33 0.61 Allowed 'Cis proline' 0 N--CA 1.5 1.883 0 C-N-CA 124.889 -0.88 . . . . 1.0 113.273 1.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' 1832 ' ' ALA . 94.1 m-20 -131.18 68.59 1.49 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.249 0.931 . . . . 1.0 111.732 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 42.2 tttt -80.61 -32.32 36.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.116 0.96 . . . . 1.0 110.367 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 44.5 t -64.81 -45.58 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 113.718 -1.583 . . . . 1.0 109.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -51.05 -26.63 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.173 0.511 . . . . 1.0 109.67 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.18 -34.72 49.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.732 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 87.1 mt -73.67 -43.1 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.849 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.12 64.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.194 -0.316 . . . . 1.0 110.964 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 27.6 mmm -66.95 -26.2 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.609 0.242 . . . . 1.0 111.273 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 38.8 t70 49.86 38.38 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.055 0.455 . . . . 1.0 110.106 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.8 mt -41.59 139.95 1.42 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.948 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.79 120.94 6.01 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.199 1.933 . . . . 1.0 110.588 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 10.5 mtt -100.68 140.38 35.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.252 0.548 . . . . 1.0 111.22 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.501 ' O ' ' C ' ' A' 1848 ' ' SER . 0.2 OUTLIER -89.26 -175.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.529 -0.915 . . . . 1.0 108.529 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.773 ' O ' ' N ' ' A' 1850 ' ' ASP . 8.0 t 4.08 110.96 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 O-C-N 124.251 0.969 . . . . 1.0 113.193 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 26.1 -56.19 0.0 OUTLIER Glycine 0 CA--C 1.542 1.744 0 O-C-N 124.667 1.229 . . . . 1.0 116.154 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.773 ' N ' ' O ' ' A' 1848 ' ' SER . 2.3 m-20 -148.74 78.49 1.41 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 117.123 0.461 . . . . 1.0 111.362 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.47 ' NE ' ' CD1' ' A' 1812 ' ' PHE . 1.6 mmm-85 -167.33 132.6 2.02 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.588 -0.278 . . . . 1.0 110.556 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.85 136.7 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1853 ' ' HIS . . . . . 0.439 ' O ' ' OD2' ' A' 1856 ' ' ASP . 7.0 t-80 -105.12 121.47 43.89 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.987 0.422 . . . . 1.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.6 p -37.06 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 1.0 112.15 -176.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1855 ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' 1853 ' ' HIS . 12.9 mt -53.78 -42.18 68.03 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.811 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1856 ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' 1857 ' ' ILE . 2.6 p30 -74.14 -37.05 64.17 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.247 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1857 ' ' ILE . . . . . 0.458 ' N ' ' OD1' ' A' 1856 ' ' ASP . 19.5 mt -63.28 -42.8 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.751 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.43 -49.24 76.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.215 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.06 -41.6 86.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.955 -0.298 . . . . 1.0 111.207 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.605 -0.438 . . . . 1.0 111.688 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.22 -25.03 57.84 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.586 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 16.0 p -75.08 -31.8 61.32 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.511 ' NZ ' ' CB ' ' A' 1863 ' ' LYS . 4.6 ttpm? -78.88 -45.52 20.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.303 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -50.93 -40.98 58.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.456 0.646 . . . . 1.0 111.331 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 40.6 t -80.08 -12.72 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.993 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.41 -15.78 16.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.712 0.291 . . . . 1.0 111.331 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -80.16 88.98 1.28 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.538 -0.839 . . . . 1.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -174.48 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 1.0 110.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 59.8 p -172.79 47.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -79.08 119.57 5.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -82.52 -10.21 59.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.052 0.453 . . . . 1.0 110.013 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1872 ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' 1872 ' ' MET . 3.6 ppp? -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.479 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.78 -16.95 59.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.514 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -72.54 -47.13 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 10.4 mp -45.76 -27.96 0.94 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.449 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -81.85 -44.3 17.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.377 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 66.3 mt -72.26 -22.24 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -74.32 -37.7 63.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.406 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 32.3 ttm -80.77 46.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -68.25 -35.73 78.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.584 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -77.97 129.98 35.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.941 -1.028 . . . . 1.0 110.534 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1777 ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' 1777 ' ' GLU . 3.4 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.742 0.306 . . . . 1.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.23 -178.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 44.7 t80 -73.21 63.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 81.5 p -159.46 41.32 0.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1781 ' ' VAL . . . . . 0.417 ' O ' ' O ' ' A' 1782 ' ' ALA . 10.7 p -54.75 161.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' 1781 ' ' VAL . . . 58.47 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 40.9 p -144.0 107.72 4.66 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.26 2.82 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.57 -69.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 23.0 t -162.04 102.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.515 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -167.25 75.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -145.5 153.28 51.35 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.05 -49.18 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.247 1.965 . . . . 1.0 111.936 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 7.2 tt -106.8 115.31 29.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 19.2 m -100.08 173.97 6.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.431 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1792 ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' 1792 ' ' GLU . 7.5 pm0 -56.81 -30.04 63.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.188 0.518 . . . . 1.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1793 ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' 1794 ' ' ASP . 50.1 p-10 -48.66 -27.49 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.481 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1794 ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.8 m-20 -78.75 -43.78 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.524 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -50.92 -49.62 59.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.6 -51.08 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 110.307 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 44.9 ttp -52.87 -36.82 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.263 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -62.01 -42.16 98.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.454 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1799 ' ' TYR . . . . . 0.427 ' O ' ' OE2' ' A' 1803 ' ' GLU . 49.4 m-85 -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.112 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -60.63 -43.6 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.449 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.3 t -74.93 -38.34 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.529 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1802 ' ' TRP . . . . . 0.59 ' CZ3' ' SG ' ' A' 1854 ' ' CYS . 14.6 t-105 -59.92 -38.71 83.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.843 -0.743 . . . . 1.0 111.641 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1803 ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' 1803 ' ' GLU . 0.1 OUTLIER -64.98 -29.79 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.1 -0.24 . . . . 1.0 111.383 -178.797 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 56.7 mttp -68.18 -28.61 67.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.797 0.808 . . . . 1.0 110.777 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.03 -73.99 0.13 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.328 -1.305 . . . . 1.0 111.738 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.597 ' C ' ' H ' ' A' 1808 ' ' ASP . 77.1 m-20 -118.63 86.66 29.95 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.27 -0.269 . . . . 1.0 110.992 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.49 3.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 122.746 2.297 . . . . 1.0 113.029 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1808 ' ' ASP . . . . . 0.597 ' H ' ' C ' ' A' 1806 ' ' ASP . 52.3 t0 -81.98 -15.12 54.81 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 69.57 26.34 5.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.212 0.53 . . . . 1.0 110.169 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.5 p -66.58 -33.08 74.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.601 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 75.55 16.27 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -127.04 156.76 41.14 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.4 tt -143.09 147.21 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 118.43 0.559 . . . . 1.0 109.865 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1814 ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' 1814 ' ' GLU . 23.0 mp0 -80.57 140.51 35.76 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.363 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.78 -45.34 70.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.651 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.51 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 65.2 mttm -107.19 1.6 24.15 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.917 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 67.8 tp -67.22 -27.97 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.096 -0.641 . . . . 1.0 110.984 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1819 ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' 1823 ' ' ASP . 47.6 m -70.33 -35.27 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.206 -0.597 . . . . 1.0 110.471 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.17 -25.66 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 62.3 t80 -79.81 -48.83 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.124 -0.944 . . . . 1.0 110.422 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.67 36.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.955 -1.021 . . . . 1.0 112.171 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1823 ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' 1819 ' ' SER . 4.2 p30 -94.01 1.61 56.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.964 0.412 . . . . 1.0 110.519 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.47 -25.77 26.7 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.057 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 78.2 mt -73.24 166.44 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1826 ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.7 OUTLIER -112.08 151.26 43.47 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.214 178.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -46.09 147.63 3.49 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.28 1.32 . . . . 1.0 111.118 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -89.25 48.25 1.06 Allowed 'Cis proline' 0 N--CA 1.499 1.828 0 CA-C-N 119.874 0.991 . . . . 1.0 112.124 -0.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 72.3 mt -132.7 -3.06 3.3 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.654 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.0 tp -81.55 123.64 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.459 0.54 . . . . 1.0 112.459 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 28.5 mt -113.5 103.59 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 1.0 107.089 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.575 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -57.78 151.78 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.976 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.46 159.82 32.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 107.67 -1.233 . . . . 1.0 107.67 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.72 102.06 0.37 Allowed 'Cis proline' 0 N--CA 1.499 1.797 0 C-N-CA 124.64 -0.983 . . . . 1.0 113.291 1.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.575 ' ND2' ' O ' ' A' 1832 ' ' ALA . 5.9 m-80 -127.53 69.05 1.3 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.387 0.994 . . . . 1.0 111.504 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1836 ' ' LYS . . . . . 0.447 ' CB ' ' NZ ' ' A' 1836 ' ' LYS . 2.5 ttmp? -80.68 -31.16 36.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.318 1.056 . . . . 1.0 110.061 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 14.6 t -64.79 -47.04 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 113.267 -1.788 . . . . 1.0 110.298 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -50.34 -25.87 4.29 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.14 -35.14 49.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.084 -0.962 . . . . 1.0 110.913 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 81.3 mt -74.11 -41.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.448 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -59.29 -27.84 66.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.346 -0.221 . . . . 1.0 111.021 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 21.4 mmm -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 1.0 111.3 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.04 28.16 17.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 2.9 mt -34.68 99.79 0.17 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.469 -0.787 . . . . 1.0 111.548 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -45.51 125.29 7.45 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.939 1.759 . . . . 1.0 111.299 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 5.9 mtt -106.55 137.86 43.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.576 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.49 ' O ' ' C ' ' A' 1848 ' ' SER . 26.2 m -103.21 -171.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.149 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' 1850 ' ' ASP . 12.4 t 7.58 111.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.352 1.033 . . . . 1.0 113.189 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 17.55 -63.57 0.0 OUTLIER Glycine 0 CA--C 1.537 1.438 0 O-C-N 124.523 1.14 . . . . 1.0 114.939 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.73 ' N ' ' O ' ' A' 1848 ' ' SER . 12.3 m-20 -137.91 79.46 1.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.805 0.302 . . . . 1.0 111.77 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -168.09 126.69 1.2 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.181 -0.607 . . . . 1.0 112.18 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1852 ' ' ILE . . . . . 0.411 HD12 HG23 ' A' 1852 ' ' ILE . 38.8 mt -99.65 132.26 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 1.0 112.453 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1853 ' ' HIS . . . . . 0.421 ' CE1' ' HG ' ' A' 1855 ' ' LEU . 5.7 t-160 -79.45 122.01 25.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.957 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1854 ' ' CYS . . . . . 0.59 ' SG ' ' CZ3' ' A' 1802 ' ' TRP . 33.2 t -63.42 -33.51 75.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.598 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1855 ' ' LEU . . . . . 0.421 ' HG ' ' CE1' ' A' 1853 ' ' HIS . 0.2 OUTLIER -51.39 -43.98 62.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -45.89 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.81 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.19 -46.15 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 55.7 tp -62.29 -50.56 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 111.14 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.8 t80 -67.76 -36.21 80.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.386 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.74 81.11 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.26 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -74.86 -48.07 26.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.138 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 21.6 p -52.02 -32.59 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 1.0 109.877 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -79.23 -46.04 18.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1864 ' ' ARG . . . . . 0.448 HH11 ' CD ' ' A' 1868 ' ' GLU . 61.6 ttp85 -51.12 -41.34 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 92.7 t -38.16 -49.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.927 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.3 tt -90.56 -40.04 12.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.791 0.329 . . . . 1.0 110.367 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -41.48 -37.05 1.67 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1868 ' ' GLU . . . . . 0.448 ' CD ' HH11 ' A' 1864 ' ' ARG . 97.2 mt-10 -78.44 115.21 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 1.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 49.1 m 50.27 28.86 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1870 ' ' GLY . . . . . 0.534 ' C ' ' H ' ' A' 1872 ' ' MET . . . -54.53 -15.72 6.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1871 ' ' GLU . . . . . 0.482 ' C ' ' H ' ' A' 1873 ' ' ASP . 0.8 OUTLIER 73.97 -32.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 1.0 110.551 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1872 ' ' MET . . . . . 0.534 ' H ' ' C ' ' A' 1870 ' ' GLY . 19.2 mmt -64.49 1.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.462 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1873 ' ' ASP . . . . . 0.482 ' H ' ' C ' ' A' 1871 ' ' GLU . 14.2 t0 -76.48 -18.68 58.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -78.22 -21.6 49.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.565 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1875 ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' 1875 ' ' LEU . 3.3 mm? -78.54 -21.22 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.241 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.27 -51.27 8.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.653 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.7 -42.92 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -65.43 -21.33 66.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.498 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.08 72.42 1.49 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.214 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1880 ' ' GLU . . . . . 0.533 ' H ' ' CD ' ' A' 1880 ' ' GLU . 1.6 pm0 -79.08 60.33 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.571 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -77.97 29.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.48 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1882 ' ' ARG . . . . . 0.479 ' H ' ' C ' ' A' 1880 ' ' GLU . 15.3 tpt180 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.08 -0.962 . . . . 1.0 110.492 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 33.5 tp10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.758 0.313 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 73.6 m-80 52.46 -179.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.567 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 58.6 t80 52.5 100.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.565 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 26.6 t -165.0 89.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 26.0 m -56.89 143.11 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' 1784 ' ' GLU . . . -78.01 107.4 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.642 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1783 ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' 1786 ' ' SER . 5.5 p -48.89 -16.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.408 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1784 ' ' GLU . . . . . 0.516 ' C ' ' H ' ' A' 1786 ' ' SER . 90.8 mt-10 -41.89 -66.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1785 ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' 1785 ' ' GLU . 10.8 pm0 -63.86 2.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.603 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1786 ' ' SER . . . . . 0.516 ' H ' ' C ' ' A' 1784 ' ' GLU . 8.6 t 52.86 82.58 0.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -50.02 149.92 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.454 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1788 ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' 1790 ' ' LEU . 39.1 mt-10 -60.98 128.92 89.91 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.279 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -38.72 -29.44 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.996 1.797 . . . . 1.0 112.474 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1790 ' ' LEU . . . . . 0.405 ' N ' ' O ' ' A' 1788 ' ' GLU . 1.9 tt -88.11 97.55 11.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.406 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 6.0 m -99.56 179.23 4.62 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.716 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.87 -29.53 70.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.531 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.37 -29.71 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.504 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.8 -42.09 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.417 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.55 -49.66 61.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.928 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1796 ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' 1800 ' ' GLU . 39.9 mt-10 -69.04 -50.27 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 1.0 110.59 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 34.5 ttp -52.29 -34.77 48.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 29.8 t80 -63.92 -38.44 91.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.265 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.82 -32.36 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1800 ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' 1800 ' ' GLU . 0.3 OUTLIER -61.0 -43.86 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.064 -0.347 . . . . 1.0 110.064 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.3 t -73.6 -38.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.959 -0.696 . . . . 1.0 109.158 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -55.2 -42.33 73.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.791 -0.641 . . . . 1.0 111.01 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.41 -29.26 58.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.561 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 55.4 mttm -69.22 -35.45 76.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.597 0.592 . . . . 1.0 112.597 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.09 -6.15 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.015 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.429 ' OD2' ' OG1' ' A' 1810 ' ' THR . 42.9 t0 -155.44 84.7 3.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.096 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.46 -6.51 12.72 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.218 1.945 . . . . 1.0 111.652 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1808 ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' 1808 ' ' ASP . 10.8 t70 -88.84 -5.56 57.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.61 27.98 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 1.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.429 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 3.2 p -67.32 -31.5 71.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 74.15 20.66 2.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -129.95 153.61 48.19 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.909 -0.774 . . . . 1.0 108.909 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -143.05 147.78 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 118.77 0.713 . . . . 1.0 110.072 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -81.82 142.09 32.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.92 -44.46 82.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.717 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.26 -24.32 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.007 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -105.83 -0.32 25.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.489 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 63.9 tp -67.08 -30.68 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.228 -0.589 . . . . 1.0 110.661 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1819 ' ' SER . . . . . 0.524 ' HG ' ' N ' ' A' 1820 ' ' ASP . 26.3 p -68.56 -35.63 77.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.262 -0.575 . . . . 1.0 110.373 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1820 ' ' ASP . . . . . 0.524 ' N ' ' HG ' ' A' 1819 ' ' SER . 79.5 m-20 -69.89 -24.88 63.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 178.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 54.0 t80 -81.86 -48.04 12.05 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.781 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.25 -37.26 22.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.043 -0.981 . . . . 1.0 112.383 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.49 3.45 55.12 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.983 0.42 . . . . 1.0 110.13 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.8 -25.81 26.11 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.31 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 76.6 mt -72.14 167.0 21.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.539 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.91 150.41 42.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -46.65 148.08 3.95 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.311 1.341 . . . . 1.0 111.041 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -88.87 48.04 1.04 Allowed 'Cis proline' 0 N--CA 1.501 1.969 0 CA-C-N 119.936 1.013 . . . . 1.0 112.238 -0.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 36.5 mt -132.7 -3.54 3.28 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.864 0.364 . . . . 1.0 110.642 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 13.9 tp -80.54 124.11 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.34 -177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 31.1 mt -113.94 104.12 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 107.297 -1.372 . . . . 1.0 107.297 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.579 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -58.27 150.89 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.876 -0.329 . . . . 1.0 111.035 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -94.34 159.95 32.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -85.69 101.88 0.36 Allowed 'Cis proline' 0 N--CA 1.498 1.737 0 C-N-CA 124.728 -0.947 . . . . 1.0 113.44 1.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' 1832 ' ' ALA . 10.8 m-80 -129.25 68.82 1.41 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.309 0.959 . . . . 1.0 111.484 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 43.3 tttt -80.35 -31.19 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.394 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 30.6 t -63.67 -47.55 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 113.464 -1.698 . . . . 1.0 110.16 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -50.47 -26.37 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.325 0.583 . . . . 1.0 109.526 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.43 -36.1 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.796 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.7 mt -73.88 -41.29 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.313 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.48 41.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.552 0.215 . . . . 1.0 110.638 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' 1844 ' ' LEU . 30.3 mtm -109.29 41.21 1.69 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.646 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1843 ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' 1842 ' ' MET . 38.6 t70 -32.01 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.059 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1844 ' ' LEU . . . . . 0.496 ' O ' ' SD ' ' A' 1846 ' ' MET . 4.8 mp -71.37 128.8 89.7 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.906 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -39.78 128.46 1.91 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.693 1.595 . . . . 1.0 111.394 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1846 ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' 1844 ' ' LEU . 4.4 mmt -100.01 132.62 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.566 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' 1851 ' ' ARG . 0.0 OUTLIER -90.44 -177.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.215 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.774 ' O ' ' N ' ' A' 1850 ' ' ASP . 1.9 t 2.55 112.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.213 0.946 . . . . 1.0 112.723 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 14.43 -55.2 0.0 OUTLIER Glycine 0 CA--C 1.54 1.632 0 N-CA-C 115.978 1.151 . . . . 1.0 115.978 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.774 ' N ' ' O ' ' A' 1848 ' ' SER . 5.5 p-10 -130.86 66.78 1.52 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 117.296 0.548 . . . . 1.0 111.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' 1847 ' ' VAL . 74.4 mtm-85 -165.36 138.06 4.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 24.6 mt -105.82 142.57 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 115.363 -0.835 . . . . 1.0 112.206 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.22 123.21 29.36 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.09 -0.959 . . . . 1.0 111.888 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.4 p -63.77 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.814 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.17 -38.84 87.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.5 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1856 ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' 1856 ' ' ASP . 2.2 m-20 -71.51 -44.73 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.181 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.34 -45.14 85.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.61 -49.75 73.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.27 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 80.7 t80 -67.1 -45.14 78.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.744 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.0 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.194 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -76.5 -25.44 54.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 99.8 m -76.66 -32.5 57.99 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 29.1 tttm -76.62 -47.31 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.482 -0.781 . . . . 1.0 109.583 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -51.73 -41.72 61.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.822 -0.627 . . . . 1.0 111.549 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 31.1 m -79.56 -14.41 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.969 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.77 -5.48 26.27 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.946 -0.391 . . . . 1.0 109.946 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -96.83 62.66 1.09 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -174.43 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 1.0 110.634 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 36.7 p -100.2 -32.4 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 44.36 64.34 2.07 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.736 -0.945 . . . . 1.0 110.736 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -78.64 -2.07 37.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.723 0.296 . . . . 1.0 110.988 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 29.9 ttp -79.09 -11.56 59.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.638 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.18 -15.02 59.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.727 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -79.42 -10.49 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1875 ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' 1875 ' ' LEU . 3.3 mm? -83.37 -37.42 23.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.31 -2.94 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1877 ' ' ILE . . . . . 0.537 ' C ' ' H ' ' A' 1879 ' ' MET . 8.0 mm -77.75 -65.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -74.26 36.79 0.1 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.897 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1879 ' ' MET . . . . . 0.537 ' H ' ' C ' ' A' 1877 ' ' ILE . 39.0 mtt 54.67 35.4 23.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.192 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 60.85 -70.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' 1879 ' ' MET . 28.5 tt0 -72.59 135.52 45.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.541 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 48.3 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.054 -0.975 . . . . 1.0 110.528 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1777 ' ' GLU . . . . . 0.493 ' H ' ' CD ' ' A' 1777 ' ' GLU . 14.1 mp0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.841 0.353 . . . . 1.0 110.502 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1778 ' ' ASN . . . . . 0.576 ' ND2' ' H ' ' A' 1779 ' ' PHE . 39.5 t30 -69.99 -111.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.606 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1779 ' ' PHE . . . . . 0.576 ' H ' ' ND2' ' A' 1778 ' ' ASN . 87.1 t80 55.96 -89.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.549 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1780 ' ' SER . . . . . 0.416 ' N ' ' CD2' ' A' 1779 ' ' PHE . 10.9 t -151.26 93.3 1.89 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.44 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 19.0 m -68.41 -161.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.667 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -62.84 134.37 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.707 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1783 ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' 1784 ' ' GLU . 15.1 t -89.45 -41.01 12.32 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1784 ' ' GLU . . . . . 0.418 ' N ' ' CG2' ' A' 1783 ' ' THR . 36.5 mt-10 57.2 52.37 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.543 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -79.15 56.9 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 58.8 m 46.78 83.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -166.63 75.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.555 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.22 151.43 92.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.38 -64.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.117 1.878 . . . . 1.0 111.801 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.58 121.09 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.352 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 17.9 t -110.34 174.47 5.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.119 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.15 -40.09 73.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -48.39 -29.55 4.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.36 -42.61 29.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.577 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.34 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -67.93 -49.99 58.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 1.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1797 ' ' MET . . . . . 0.412 ' SD ' ' OD1' ' A' 1826 ' ' ASP . 25.9 ttp -52.6 -35.98 55.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.03 -40.67 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -69.5 -31.7 70.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.186 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -59.82 -44.4 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.4 t -74.6 -38.75 46.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.009 -0.677 . . . . 1.0 109.309 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -55.43 -42.59 74.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.156 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.23 -28.99 60.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.176 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -67.85 -35.72 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.499 0.666 . . . . 1.0 112.377 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -98.32 -4.77 34.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.86 -1.064 . . . . 1.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.427 ' OD1' ' OG1' ' A' 1810 ' ' THR . 20.4 t70 -156.68 83.49 3.2 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 1.0 111.053 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.33 -5.89 12.76 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.336 2.024 . . . . 1.0 111.857 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 12.1 p30 -89.47 -4.28 58.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.277 -178.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.02 27.79 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.427 ' OG1' ' OD1' ' A' 1806 ' ' ASP . 9.2 p -68.83 -31.13 69.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.112 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 75.55 23.55 1.45 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.87 0.731 . . . . 1.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.25 151.75 51.19 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.3 tt -142.96 147.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 118.678 0.672 . . . . 1.0 109.869 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -81.16 141.09 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.064 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.35 -46.17 72.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.127 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.46 -24.89 33.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.19 -0.04 24.9 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.272 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.2 tp -69.12 -24.42 64.11 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.342 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 13.3 p -75.6 -34.63 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.265 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.32 -22.89 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 55.3 t80 -82.78 -47.28 12.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.623 -1.171 . . . . 1.0 111.079 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.93 -38.32 35.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.525 -0.761 . . . . 1.0 112.617 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.96 1.92 56.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.942 0.401 . . . . 1.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.28 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.858 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 84.3 mt -71.97 164.15 26.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.83 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1826 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1827 ' ' PRO . 0.0 OUTLIER -110.59 151.97 43.11 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 179.171 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1827 ' ' PRO . . . . . 0.431 ' O ' ' OD1' ' A' 1826 ' ' ASP . 73.9 Cg_exo -45.68 146.93 3.31 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.445 1.43 . . . . 1.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -88.75 48.29 1.0 Allowed 'Cis proline' 0 N--CA 1.502 2.015 0 CA-C-N 119.998 1.035 . . . . 1.0 112.06 -0.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 72.1 mt -132.47 -2.88 3.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.907 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.99 121.53 26.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.091 0.472 . . . . 1.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.469 ' CG2' ' OD1' ' A' 1835 ' ' ASN . 49.5 mt -114.13 106.72 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -55.34 151.69 9.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.655 -0.702 . . . . 1.0 111.38 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 48.8 mttt -99.72 157.36 34.08 Favored Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.13 124.45 10.62 Favored 'Cis proline' 0 N--CA 1.504 2.133 0 C-N-CA 124.506 -1.039 . . . . 1.0 112.7 0.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.681 HD21 ' H ' ' A' 1835 ' ' ASN . 0.0 OUTLIER -139.85 65.9 1.41 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.333 -0.947 . . . . 1.0 111.808 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.46 -32.33 26.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.311 1.053 . . . . 1.0 110.145 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 37.0 t -67.69 -54.1 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 113.861 -1.518 . . . . 1.0 110.803 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -55.2 -25.98 36.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.916 0.865 . . . . 1.0 108.859 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 -39.67 57.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.997 -1.456 . . . . 1.0 109.701 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.31 -36.35 42.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.962 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.51 59.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.596 -0.275 . . . . 1.0 110.651 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 40.8 mtp -74.1 -28.68 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.641 0.258 . . . . 1.0 111.124 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 14.2 t70 45.82 43.8 10.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 1.0 110.201 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 3.3 mp -45.98 117.31 3.84 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.132 -179.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.33 128.38 2.31 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.924 1.749 . . . . 1.0 111.672 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 18.9 mtt -106.98 134.01 50.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.294 0.569 . . . . 1.0 111.468 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' 1848 ' ' SER . 0.1 OUTLIER -91.04 -175.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.378 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' 1850 ' ' ASP . 2.2 t 3.44 113.28 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.38 1.05 . . . . 1.0 113.033 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 15.57 -56.62 0.0 OUTLIER Glycine 0 CA--C 1.543 1.811 0 N-CA-C 115.545 0.978 . . . . 1.0 115.545 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.793 ' N ' ' O ' ' A' 1848 ' ' SER . 24.4 t0 -136.47 73.28 1.45 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.196 0.498 . . . . 1.0 111.074 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' 1847 ' ' VAL . 21.8 ttp180 -167.58 129.3 1.54 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.393 -0.523 . . . . 1.0 112.085 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 33.7 mt -103.65 141.3 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.465 0.65 . . . . 1.0 112.708 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -82.45 123.55 29.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.692 -1.14 . . . . 1.0 111.895 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1854 ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' 1855 ' ' LEU . 16.3 p -63.9 -36.54 84.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.642 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1855 ' ' LEU . . . . . 0.435 ' N ' ' SG ' ' A' 1854 ' ' CYS . 36.0 mt -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.859 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.92 -43.05 62.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.344 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.5 -45.31 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1858 ' ' LEU . . . . . 0.426 ' O ' ' OG1' ' A' 1862 ' ' THR . 48.8 tp -59.73 -50.34 74.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.059 0.456 . . . . 1.0 110.712 -179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -67.64 -32.39 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.11 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.8 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 1.0 111.48 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.84 -22.81 58.48 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.723 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1862 ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' 1858 ' ' LEU . 26.9 m -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.127 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' 1867 ' ' GLY . 49.9 mmtt -76.61 -45.99 27.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.649 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -51.52 -41.52 61.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.432 0.634 . . . . 1.0 111.222 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 56.7 t -81.36 -14.87 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 114.954 -1.021 . . . . 1.0 111.14 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 5.5 tp -104.88 -18.01 14.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 111.849 0.315 . . . . 1.0 111.849 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1867 ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -91.51 71.44 1.82 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -161.05 82.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.529 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 7.9 t 54.53 31.45 14.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -62.83 -120.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1871 ' ' GLU . . . . . 0.4 ' OE2' ' OE1' ' A' 1784 ' ' GLU . 57.3 tt0 -170.66 -9.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.992 0.425 . . . . 1.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 11.8 tpt -64.43 -26.33 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1873 ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' 1873 ' ' ASP . 57.7 t0 -70.84 -27.62 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.3 65.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.458 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.47 -16.22 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -77.07 -41.25 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.581 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.61 -22.34 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -82.73 -39.32 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1879 ' ' MET . . . . . 0.481 ' C ' ' H ' ' A' 1881 ' ' GLU . 9.5 ttt -53.94 -25.34 20.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.63 32.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.559 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.481 ' H ' ' C ' ' A' 1879 ' ' MET . 19.7 pt-20 -69.17 159.26 33.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.496 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.781 0.324 . . . . 1.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1778 ' ' ASN . . . . . 0.449 ' CG ' ' N ' ' A' 1779 ' ' PHE . 12.2 t-20 -68.35 -112.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.455 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1779 ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' 1779 ' ' PHE . 63.5 t80 -160.46 -5.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.535 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 27.1 t -173.08 99.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.514 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 29.3 m -54.56 149.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.513 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -50.62 112.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.59 125.02 25.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 110.42 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.55 11.7 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.599 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -49.81 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1786 ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' 1787 ' ' ALA . 32.2 t -167.87 120.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.669 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1787 ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' 1786 ' ' SER . . . 59.53 142.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.782 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.92 125.11 69.64 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.335 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.8 161.01 27.55 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.878 1.719 . . . . 1.0 111.792 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 3.3 tt -86.74 97.37 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 1.0 110.306 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 74.1 m -101.54 179.19 4.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.754 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.8 -30.67 70.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.699 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -48.1 -28.64 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.041 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -73.31 -45.63 54.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.274 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -50.59 -48.26 57.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.19 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -70.58 -53.96 13.95 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.646 0.61 . . . . 1.0 112.646 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1797 ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' 1797 ' ' MET . 0.0 OUTLIER -52.94 -34.02 53.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.829 0.347 . . . . 1.0 110.661 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 28.0 t80 -64.81 -39.61 93.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.42 -30.52 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.24 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.405 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 16.2 t -75.06 -38.49 42.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.19 -0.67 . . . . 1.0 109.19 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -56.27 -42.72 77.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.296 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.6 -28.05 63.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.638 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.99 -32.91 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 1.0 112.111 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1805 ' ' PHE . . . . . 0.41 ' O ' ' OD1' ' A' 1806 ' ' ASP . 68.7 m-85 -98.02 -5.59 33.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.886 -1.052 . . . . 1.0 111.223 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' 1805 ' ' PHE . 64.0 m-20 -158.36 86.54 2.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.765 -0.374 . . . . 1.0 111.375 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.47 -3.75 10.79 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.283 1.989 . . . . 1.0 111.73 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 18.9 p30 -92.17 -5.96 51.6 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.1 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 58.79 32.03 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 7.7 p -69.99 -31.75 69.59 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 80.09 24.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.17 -0.923 . . . . 1.0 111.011 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -130.56 149.68 52.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -140.98 147.12 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1814 ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' 1815 ' ' PHE . 0.0 OUTLIER -79.71 135.63 36.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.025 0.38 . . . . 1.0 112.025 -177.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1815 ' ' PHE . . . . . 0.538 ' N ' ' OE1' ' A' 1814 ' ' GLU . 34.9 t80 -53.03 -44.93 67.74 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.476 -0.49 . . . . 1.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.66 -22.58 46.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.259 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -109.23 2.16 20.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.263 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.58 -27.65 65.3 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.035 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.8 m -70.46 -34.49 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.594 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -73.61 -26.37 60.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.57 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1821 ' ' PHE . . . . . 0.415 ' O ' ' N ' ' A' 1824 ' ' ALA . 62.5 t80 -80.55 -48.36 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.87 15.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.587 -1.188 . . . . 1.0 111.325 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.63 3.77 54.67 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.01 0.433 . . . . 1.0 110.208 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1824 ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' 1821 ' ' PHE . . . -90.46 -22.05 21.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.787 179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 89.8 mt -70.91 178.01 3.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.138 0.494 . . . . 1.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -122.32 146.13 46.25 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.488 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -48.29 148.24 7.7 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.226 1.284 . . . . 1.0 111.035 179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.72 48.19 1.01 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.871 0.99 . . . . 1.0 112.113 -0.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 15.8 mt -134.03 -4.81 2.76 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.861 -179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 10.2 tp -79.29 126.49 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.503 . . . . 1.0 112.135 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.498 ' CG2' ' ND2' ' A' 1835 ' ' ASN . 71.5 mt -117.87 100.35 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 106.198 -1.779 . . . . 1.0 106.198 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -108.2 67.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.154 -0.93 . . . . 1.0 112.046 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1833 ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' 1832 ' ' ALA . 2.0 mptm? 50.02 158.49 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.458 -0.792 . . . . 1.0 111.411 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -97.73 28.74 15.75 Favored 'Cis proline' 0 N--CA 1.493 1.495 0 CA-C-N 118.735 0.584 . . . . 1.0 112.557 -0.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.752 ' ND2' ' H ' ' A' 1835 ' ' ASN . 0.0 OUTLIER -96.5 70.6 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -178.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.7 -37.5 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.826 0.822 . . . . 1.0 109.995 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 15.8 t -50.58 -44.88 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.184 -1.371 . . . . 1.0 110.157 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1838 ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' 1838 ' ' GLN . 0.9 OUTLIER -48.18 -33.2 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.674 -1.148 . . . . 1.0 110.344 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.61 -41.49 83.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.157 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1840 ' ' ILE . . . . . 0.459 ' C ' ' H ' ' A' 1842 ' ' MET . 68.0 mt -74.03 -34.18 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 178.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -75.25 44.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.459 ' H ' ' C ' ' A' 1840 ' ' ILE . 0.9 OUTLIER -141.76 -8.43 0.94 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.557 0.343 . . . . 1.0 110.989 -178.623 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.99 90.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.827 0.346 . . . . 1.0 110.4 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1844 ' ' LEU . . . . . 0.532 ' O ' ' SD ' ' A' 1846 ' ' MET . 28.1 mt -120.58 152.17 55.14 Favored Pre-proline 0 N--CA 1.468 0.447 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.683 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1845 ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' 1844 ' ' LEU . 18.4 Cg_exo -29.28 89.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 123.029 2.486 . . . . 1.0 113.005 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1846 ' ' MET . . . . . 0.532 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -95.1 127.72 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.408 0.623 . . . . 1.0 110.703 -179.136 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1847 ' ' VAL . . . . . . . . . . . . . 1.4 m -135.01 164.26 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 114.957 -1.019 . . . . 1.0 108.875 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' 1850 ' ' ASP . 37.6 m -51.77 109.61 0.38 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.977 -0.689 . . . . 1.0 109.602 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1849 ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' 1850 ' ' ASP . . . 45.39 -79.94 0.0 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' 1848 ' ' SER . 65.9 m-20 17.73 -130.23 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.54 -179.27 5.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.651 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 35.9 mt -116.61 147.57 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.916 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.47 121.78 16.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.437 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.15 -41.37 99.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.665 -0.243 . . . . 1.0 111.246 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.49 -39.12 56.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.494 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.52 -38.12 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.568 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.1 -44.04 90.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -49.33 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.981 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.95 -47.04 75.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.463 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.43 81.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.012 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.83 -22.84 58.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.536 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 90.2 m -79.01 -34.46 43.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' 1867 ' ' GLY . 35.5 ttpt -76.85 -45.68 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.571 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -52.34 -41.75 63.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.542 . . . . 1.0 111.951 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 45.8 t -79.84 -14.48 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.904 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 3.1 mt -103.27 -11.97 17.59 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 121.082 -0.247 . . . . 1.0 110.819 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1867 ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' 1863 ' ' LYS . . . 85.84 -170.42 43.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.565 -1.014 . . . . 1.0 110.565 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -84.04 -46.75 11.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.625 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 21.0 t -93.26 34.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -94.41 51.27 2.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -87.38 32.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 1.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 38.5 mtt -82.57 -4.34 57.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.806 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.2 -14.93 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.731 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -88.83 -4.04 58.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1875 ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' 1875 ' ' LEU . 3.3 mm? -89.03 -33.46 17.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.612 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 4.8 ptm85 -80.36 -23.69 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.714 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1877 ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' 1880 ' ' GLU . 96.6 mt -78.45 -15.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -48.25 -34.43 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 48.7 mmm -69.58 -26.75 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1880 ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' 1877 ' ' ILE . 28.8 mt-10 50.37 21.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' 1882 ' ' ARG . 7.8 pt-20 33.88 41.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.57 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1882 ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' 1881 ' ' GLU . 14.2 ptm180 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1777 ' ' GLU . . . . . 0.528 ' C ' ' H ' ' A' 1779 ' ' PHE . 32.3 mt-10 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.831 0.348 . . . . 1.0 110.383 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -56.4 -4.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1779 ' ' PHE . . . . . 0.528 ' H ' ' C ' ' A' 1777 ' ' GLU . 91.0 m-85 -71.99 146.73 47.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.566 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1780 ' ' SER . . . . . 0.513 ' C ' ' H ' ' A' 1782 ' ' ALA . 59.5 p -72.62 73.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.431 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 15.4 m -71.38 7.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.275 0.56 . . . . 1.0 110.594 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1782 ' ' ALA . . . . . 0.513 ' H ' ' C ' ' A' 1780 ' ' SER . . . -173.34 -136.14 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.489 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.44 128.84 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.204 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.3 -29.89 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.686 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1785 ' ' GLU . . . . . 0.504 ' H ' ' CD ' ' A' 1785 ' ' GLU . 19.1 mp0 -45.59 -45.22 13.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.661 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 7.5 t 60.86 165.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.786 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -170.13 86.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.287 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.43 149.17 70.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.509 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.11 -33.18 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.255 1.97 . . . . 1.0 112.486 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 3.2 tt -82.59 101.28 10.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.763 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1791 ' ' SER . . . . . 0.514 ' N ' ' OD2' ' A' 1794 ' ' ASP . 69.3 m -107.53 179.07 4.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.37 -36.32 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1793 ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' 1793 ' ' ASP . 0.4 OUTLIER -48.56 -33.27 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.734 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1794 ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' 1791 ' ' SER . 4.5 m-20 -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 1.0 110.48 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.18 -49.66 60.51 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.123 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -65.65 -49.07 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.529 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1797 ' ' MET . . . . . 0.46 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.7 tmm? -55.45 -36.81 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.201 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1798 ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.5 t80 -61.76 -41.5 97.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.98 -32.28 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.275 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -60.66 -41.41 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.6 t -76.52 -38.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -56.26 -42.06 76.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.837 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.37 -28.3 58.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.338 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -68.74 -35.41 77.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.415 0.626 . . . . 1.0 111.979 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.47 -5.56 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.959 -1.019 . . . . 1.0 111.522 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.413 ' OD2' ' OG1' ' A' 1810 ' ' THR . 41.2 t0 -157.66 84.73 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.252 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.95 -4.78 12.09 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.176 1.917 . . . . 1.0 111.658 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 45.2 t0 -89.6 -6.18 56.48 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.84 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.45 30.62 18.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.413 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 8.2 p -68.87 -31.45 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 75.96 23.63 1.29 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.457 -0.792 . . . . 1.0 110.54 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1812 ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' 1852 ' ' ILE . 1.3 m-85 -131.56 151.07 51.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.2 tt -140.77 149.61 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.124 0.42 . . . . 1.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.24 135.44 36.77 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.087 0.403 . . . . 1.0 112.087 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -52.53 -45.87 66.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.694 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -58.65 -22.7 57.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.037 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1817 ' ' LYS . . . . . 0.426 ' CB ' ' NZ ' ' A' 1817 ' ' LYS . 6.3 ttpm? -107.69 0.05 22.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.026 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.18 -26.66 65.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.866 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 4.4 m -71.68 -35.29 70.25 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.561 -0.455 . . . . 1.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1820 ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' 1820 ' ' ASP . 66.6 t0 -69.21 -25.09 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.562 -0.532 . . . . 1.0 109.562 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 62.5 t80 -81.94 -48.09 11.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.815 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.43 -37.21 24.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.25 -0.886 . . . . 1.0 112.183 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -94.06 2.44 56.03 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.97 0.414 . . . . 1.0 110.186 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.55 -24.87 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.162 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 91.3 mt -73.4 168.35 19.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.089 0.471 . . . . 1.0 110.613 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.48 149.22 41.84 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -45.74 148.62 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.071 1.181 . . . . 1.0 110.949 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -88.39 46.72 1.12 Allowed 'Cis proline' 0 N--CA 1.501 1.929 0 CA-C-N 119.883 0.994 . . . . 1.0 112.292 -0.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 21.8 mt -131.19 -3.43 3.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.679 0.276 . . . . 1.0 110.822 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 14.8 tp -79.85 123.35 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 1.0 111.767 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.442 ' CG2' ' OD1' ' A' 1835 ' ' ASN . 16.2 mt -115.63 107.34 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.94 149.26 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.123 0.487 . . . . 1.0 111.182 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -101.26 158.73 31.23 Favored Pre-proline 0 C--N 1.331 -0.239 0 N-CA-C 108.583 -0.895 . . . . 1.0 108.583 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -75.27 121.12 7.19 Favored 'Cis proline' 0 N--CA 1.505 2.148 0 C-N-CA 125.089 -0.796 . . . . 1.0 112.703 -0.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.477 ' ND2' ' N ' ' A' 1835 ' ' ASN . 0.1 OUTLIER -140.24 66.78 1.38 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.182 -1.007 . . . . 1.0 112.034 178.152 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 46.0 mttp -83.0 -29.73 28.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.211 1.005 . . . . 1.0 110.099 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 43.0 t -67.58 -32.99 59.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.353 -1.748 . . . . 1.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -68.86 -31.57 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 70.5 mt -79.47 -35.06 40.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.105 -0.952 . . . . 1.0 111.52 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1840 ' ' ILE . . . . . 0.464 ' C ' ' H ' ' A' 1842 ' ' MET . 79.2 mt -73.99 -38.66 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.556 -0.458 . . . . 1.0 109.805 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -74.58 42.07 0.16 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.728 0.299 . . . . 1.0 110.71 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.464 ' H ' ' C ' ' A' 1840 ' ' ILE . 41.4 mmm -120.39 -20.6 7.17 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.0 0.429 . . . . 1.0 110.111 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 63.43 15.27 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.716 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1844 ' ' LEU . . . . . 0.521 ' O ' ' SD ' ' A' 1846 ' ' MET . 19.1 mt -56.7 112.86 5.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.609 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1845 ' ' PRO . . . . . 0.497 ' O ' ' SD ' ' A' 1846 ' ' MET . 82.7 Cg_exo -42.53 152.37 0.18 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.199 1.266 . . . . 1.0 111.213 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1846 ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -128.93 175.31 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 1.0 111.149 -178.634 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' 1851 ' ' ARG . 0.4 OUTLIER -137.69 161.57 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.394 -1.336 . . . . 1.0 107.394 176.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.722 ' O ' ' N ' ' A' 1850 ' ' ASP . 6.4 t -45.9 108.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.698 -0.801 . . . . 1.0 109.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1849 ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' 1850 ' ' ASP . . . 43.18 -76.38 0.0 OUTLIER Glycine 0 C--N 1.341 0.845 0 N-CA-C 110.689 -0.964 . . . . 1.0 110.689 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.722 ' N ' ' O ' ' A' 1848 ' ' SER . 69.8 m-20 14.37 -123.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.176 -1.012 . . . . 1.0 113.286 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.479 ' O ' ' CG2' ' A' 1847 ' ' VAL . 0.0 OUTLIER -144.83 -175.62 4.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.984 -178.262 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1852 ' ' ILE . . . . . 0.467 ' O ' ' CD2' ' A' 1812 ' ' PHE . 18.5 mt -114.15 168.11 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.648 0.737 . . . . 1.0 112.223 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1853 ' ' HIS . . . . . 0.438 ' H ' ' CG2' ' A' 1852 ' ' ILE . 0.8 OUTLIER -87.76 122.39 31.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.516 -1.22 . . . . 1.0 111.027 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 5.4 t -58.83 -45.93 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.596 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 56.0 mt -51.73 -39.15 57.93 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.57 -45.0 66.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.15 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -43.86 93.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.226 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.9 tp -63.55 -50.11 70.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 1.0 111.152 -178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.16 -50.72 69.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.732 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -55.23 -36.23 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.395 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.85 -34.13 60.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.511 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 28.8 p -68.84 -33.21 73.43 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.545 -0.462 . . . . 1.0 109.935 179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' 1867 ' ' GLY . 59.1 mttm -79.48 -45.18 19.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.043 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -50.92 -41.31 58.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.288 0.566 . . . . 1.0 111.247 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 61.8 t -79.04 -13.7 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.726 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.14 -15.15 16.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.73 0.3 . . . . 1.0 111.202 -179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1867 ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -78.63 -174.66 44.69 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.589 -0.815 . . . . 1.0 111.199 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 55.59 -99.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 1.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 40.3 p -77.95 48.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.015 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -67.05 179.42 13.9 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.643 -0.983 . . . . 1.0 110.643 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -165.58 -34.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 15.1 ttt -64.43 -33.92 76.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 34.8 t70 -68.22 -15.09 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.559 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -76.72 -30.93 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.73 -17.11 56.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.587 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -78.9 -22.51 45.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.37 -19.39 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -77.82 -15.25 59.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 34.3 tpp -72.69 -44.75 61.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.02 -32.07 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -160.94 142.04 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.605 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.33 . . . . 1.0 110.553 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1778 ' ' ASN . . . . . 0.523 ' O ' ' ND2' ' A' 1778 ' ' ASN . 1.4 t-20 -76.94 6.59 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1779 ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' 1779 ' ' PHE . 46.1 t80 -77.07 27.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1780 ' ' SER . . . . . 0.495 ' H ' ' C ' ' A' 1778 ' ' ASN . 56.0 p -75.03 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 33.4 m -76.35 -165.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 56.18 43.77 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1783 ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' 1785 ' ' GLU . 9.5 t -78.26 -45.07 23.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1784 ' ' GLU . . . . . 0.406 ' N ' ' CG2' ' A' 1783 ' ' THR . 68.6 tt0 60.21 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1785 ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' 1783 ' ' THR . 42.4 mm-40 -73.61 91.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 79.8 p -79.89 47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -73.14 161.51 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.316 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1788 ' ' GLU . . . . . 0.54 ' CD ' ' H ' ' A' 1788 ' ' GLU . 4.2 pm0 -47.48 148.37 2.45 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.166 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -37.79 -73.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.409 2.073 . . . . 1.0 112.772 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.46 169.02 8.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.554 -179.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 71.3 p -93.91 179.59 5.29 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.3 0.571 . . . . 1.0 112.137 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.95 -23.23 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.238 -0.892 . . . . 1.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -48.95 -31.1 6.81 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.274 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.75 -42.81 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.148 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.75 -50.08 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.185 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.83 -50.24 51.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.852 0.358 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 33.3 ttp -52.35 -35.39 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.036 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.92 -39.2 93.83 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -70.68 -32.78 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.84 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.39 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.8 t -74.06 -38.33 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 119.714 -0.794 . . . . 1.0 109.193 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -55.13 -43.03 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.143 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.09 -28.71 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.251 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -69.29 -36.02 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.338 0.589 . . . . 1.0 112.448 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -95.57 -8.17 35.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.249 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.436 ' OD2' ' OG1' ' A' 1810 ' ' THR . 19.9 t70 -155.01 87.29 3.32 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.815 -0.354 . . . . 1.0 111.437 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -82.72 -6.09 11.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.188 1.925 . . . . 1.0 111.435 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -88.48 -7.22 56.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.152 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 64.24 29.88 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 1.0 110.705 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.436 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 16.1 p -66.43 -31.44 72.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.893 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 75.36 17.05 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.732 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.42 156.31 44.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.42 148.02 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 118.384 0.538 . . . . 1.0 110.045 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.76 142.45 32.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.841 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.55 -46.08 80.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.429 -0.351 . . . . 1.0 111.282 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.32 -23.49 49.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.985 0.421 . . . . 1.0 110.615 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -104.63 -5.1 21.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.817 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.77 -24.13 64.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -35.46 60.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.401 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1820 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1820 ' ' ASP . 13.1 t0 -70.71 -20.74 62.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 59.9 t80 -83.71 -47.14 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.451 -1.25 . . . . 1.0 111.494 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.75 -37.76 30.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.069 -0.969 . . . . 1.0 112.765 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.31 2.84 55.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.022 0.439 . . . . 1.0 110.031 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.41 -26.15 26.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.497 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 88.7 mt -70.74 170.38 12.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.972 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 148.37 40.53 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 108.995 -0.742 . . . . 1.0 108.995 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -46.48 147.34 4.28 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.526 1.484 . . . . 1.0 111.703 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -88.76 50.8 0.83 Allowed 'Cis proline' 0 N--CA 1.5 1.896 0 CA-C-N 119.861 0.986 . . . . 1.0 112.403 -0.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 68.5 mt -134.43 -6.25 2.58 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.873 0.368 . . . . 1.0 110.527 -179.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.0 tp -79.37 128.0 32.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.501 ' C ' ' H ' ' A' 1833 ' ' LYS . 65.4 mt -114.16 100.92 11.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 105.401 -2.074 . . . . 1.0 105.401 176.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -65.22 15.05 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.111 0.782 . . . . 1.0 113.111 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1833 ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' 1832 ' ' ALA . 20.4 mttm 52.08 162.81 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 118.875 -1.13 . . . . 1.0 108.903 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -90.12 36.46 5.49 Favored 'Cis proline' 0 C--N 1.31 -1.457 0 C-N-CA 125.089 -0.796 . . . . 1.0 113.039 0.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.516 ' ND2' ' H ' ' A' 1835 ' ' ASN . 0.5 OUTLIER -73.4 69.01 1.14 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 118.714 -1.194 . . . . 1.0 110.362 -179.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -79.42 -30.89 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.599 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 39.0 t -57.19 -48.21 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 113.393 -1.731 . . . . 1.0 109.655 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -50.41 -28.85 8.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.159 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.49 -38.12 62.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.212 -0.595 . . . . 1.0 109.79 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.1 mt -73.81 -38.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.237 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -49.55 -33.28 14.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 1.0 110.361 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 22.7 mtm -76.62 -32.0 57.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.582 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 38.9 t70 54.23 45.98 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.135 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1844 ' ' LEU . . . . . 0.5 ' O ' ' SD ' ' A' 1846 ' ' MET . 3.8 mp -40.55 145.92 0.48 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.984 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.27 130.06 13.69 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.303 2.002 . . . . 1.0 110.343 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1846 ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -98.1 133.53 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 1.0 110.588 -179.329 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.523 ' O ' ' C ' ' A' 1848 ' ' SER . 31.0 m -99.79 -173.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.162 -1.051 . . . . 1.0 108.162 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.722 ' O ' ' N ' ' A' 1850 ' ' ASP . 1.8 m 6.18 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.065 0.853 . . . . 1.0 112.503 -178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 9.3 -56.64 0.0 OUTLIER Glycine 0 CA--C 1.535 1.298 0 O-C-N 124.855 1.347 . . . . 1.0 115.521 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.722 ' N ' ' O ' ' A' 1848 ' ' SER . 1.5 m-20 -130.46 64.62 1.54 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' 1850 ' ' ASP . 15.5 mtm180 -162.68 137.2 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.425 0.631 . . . . 1.0 112.525 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 20.7 mt -104.52 135.97 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 114.747 -1.115 . . . . 1.0 111.881 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.34 122.95 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.136 -0.938 . . . . 1.0 110.487 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -34.18 77.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.414 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 71.0 mt -51.31 -35.38 37.55 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.574 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.16 -41.32 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.787 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.99 -45.38 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 108.774 -0.825 . . . . 1.0 108.774 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 23.8 tp -62.93 -48.59 78.28 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 110.711 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1859 ' ' PHE . . . . . 0.414 ' O ' ' OG1' ' A' 1862 ' ' THR . 18.9 t80 -68.84 -37.23 79.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.474 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.42 -38.85 74.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.546 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1861 ' ' PHE . . . . . 0.605 ' CD2' ' NH2' ' A' 1864 ' ' ARG . 3.5 m-85 -75.04 -21.62 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.263 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1862 ' ' THR . . . . . 0.43 ' H ' ' HG1' ' A' 1862 ' ' THR . 10.1 p -77.15 -32.33 56.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.03 0.443 . . . . 1.0 110.282 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -78.43 -45.44 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.039 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1864 ' ' ARG . . . . . 0.605 ' NH2' ' CD2' ' A' 1861 ' ' PHE . 9.6 ttm180 -51.66 -40.95 60.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 4.4 t -38.32 -50.01 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.792 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1866 ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' 1866 ' ' LEU . 2.5 tm? -92.38 -41.95 10.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -68.25 -178.01 14.15 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 46.13 59.06 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 1.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 6.6 t 179.46 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.57 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1870 ' ' GLY . . . . . 0.466 ' C ' ' H ' ' A' 1872 ' ' MET . . . 138.02 -123.16 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 54.28 9.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.722 0.296 . . . . 1.0 110.661 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1872 ' ' MET . . . . . 0.466 ' H ' ' C ' ' A' 1870 ' ' GLY . 15.8 ptt? -90.95 -24.59 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 43.1 t0 -77.82 -21.58 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.711 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.2 60.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 6.4 mp -78.25 -31.05 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.525 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -70.36 -29.47 66.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.612 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.73 -27.32 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 12.5 tpt -86.73 54.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.436 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1880 ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' 1881 ' ' GLU . 18.7 tp10 -160.67 67.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.603 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' 1880 ' ' GLU . 28.9 tt0 59.48 146.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.508 -179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.867 0.365 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.17 113.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 62.0 t80 -171.51 94.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 49.1 m 46.26 87.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.64 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 4.0 m -80.91 15.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.128 0.49 . . . . 1.0 110.488 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 42.24 90.8 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.52 126.19 30.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 1.0 110.454 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -105.29 18.35 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -69.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.474 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 22.4 t -171.55 46.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . 55.52 106.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.3 153.36 94.15 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.068 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -34.64 -67.12 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 122.603 2.202 . . . . 1.0 112.648 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 5.4 mt -144.53 172.24 13.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 8.4 t -120.94 153.74 36.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.186 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.61 -50.95 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 1.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.58 -29.67 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.506 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.31 -43.68 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.677 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -51.3 -49.71 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.3 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -64.94 -43.13 93.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 1.0 110.717 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1797 ' ' MET . . . . . 0.458 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.3 tmm? -60.59 -37.0 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 33.3 t80 -61.2 -41.29 96.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.655 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -73.28 -33.61 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -61.06 -40.02 92.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.0 110.045 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 60.2 t -76.52 -38.16 31.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -56.46 -41.61 76.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.981 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -29.52 64.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.867 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -68.41 -33.57 74.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.483 0.659 . . . . 1.0 112.104 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -96.5 -5.83 38.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.945 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.01 84.0 3.76 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.23 -7.15 12.99 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.341 2.027 . . . . 1.0 111.986 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1808 ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' 1808 ' ' ASP . 11.7 t70 -88.47 -3.92 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.064 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.88 27.63 16.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 1.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1811 ' ' GLN . 3.2 p -67.99 -32.62 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.593 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1811 ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' 1810 ' ' THR . 3.2 tp60 78.6 19.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.835 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1812 ' ' PHE . . . . . 0.595 ' CD2' ' NE ' ' A' 1851 ' ' ARG . 22.5 m-85 -130.05 154.43 47.44 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.59 148.16 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 122.054 -0.404 . . . . 1.0 110.082 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -78.92 137.05 37.45 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.666 0.27 . . . . 1.0 111.511 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 48.1 t80 -54.21 -44.54 71.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.264 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.12 -23.22 33.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.372 . . . . 1.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -108.61 3.87 23.36 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.372 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.92 -23.79 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.474 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1819 ' ' SER . . . . . 0.459 ' O ' ' NZ ' ' A' 1833 ' ' LYS . 4.4 m -75.0 -35.44 62.0 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.974 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 52.2 t0 -68.84 -25.13 64.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.48 -48.52 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.737 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.3 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 1.0 112.137 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.99 2.06 56.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.954 0.407 . . . . 1.0 110.29 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.56 25.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.857 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 88.8 mt -72.68 168.75 18.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.149 0.5 . . . . 1.0 110.613 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -113.02 147.73 37.87 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.408 -0.815 . . . . 1.0 109.391 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1827 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -43.6 147.43 1.07 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.449 1.433 . . . . 1.0 111.247 179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -89.14 49.83 0.92 Allowed 'Cis proline' 0 N--CA 1.503 2.062 0 CA-C-N 119.773 0.955 . . . . 1.0 112.386 0.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1829 ' ' LEU . . . . . . . . . . . . . 20.2 mt -133.62 -5.19 2.88 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.522 0.201 . . . . 1.0 111.139 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 15.7 tp -80.66 128.78 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.899 0.703 . . . . 1.0 112.899 -177.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.529 ' C ' ' H ' ' A' 1833 ' ' LYS . 57.9 mt -115.74 100.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 105.91 -1.885 . . . . 1.0 105.91 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.593 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -66.02 18.41 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1833 ' ' LYS . . . . . 0.593 ' O ' ' O ' ' A' 1832 ' ' ALA . 0.8 OUTLIER 49.45 165.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 119.434 -0.906 . . . . 1.0 108.889 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -87.71 36.25 4.34 Favored 'Cis proline' 0 N--CA 1.49 1.278 0 CA-C-N 119.95 1.018 . . . . 1.0 112.915 0.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.522 ' ND2' ' H ' ' A' 1835 ' ' ASN . 0.2 OUTLIER -75.29 68.79 2.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 118.871 -1.132 . . . . 1.0 110.168 -179.595 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.78 -31.2 45.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.241 1.02 . . . . 1.0 110.037 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 11.7 t -57.19 -46.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 113.252 -1.794 . . . . 1.0 109.684 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1838 ' ' GLN . . . . . 0.493 ' O ' ' SD ' ' A' 1842 ' ' MET . 71.3 mt-30 -50.63 -30.14 12.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.689 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.65 -37.1 62.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.851 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1840 ' ' ILE . . . . . 0.454 ' C ' ' H ' ' A' 1842 ' ' MET . 8.0 mm -73.55 -38.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.013 -0.675 . . . . 1.0 109.321 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.28 41.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.533 0.206 . . . . 1.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' 1838 ' ' GLN . 0.0 OUTLIER -128.33 -22.36 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 2.1 m-20 63.75 25.28 14.11 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.8 mt -50.22 108.89 1.11 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.353 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -46.13 141.12 9.98 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.039 1.159 . . . . 1.0 110.153 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 16.9 mmt -119.52 124.33 46.15 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.956 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' 1848 ' ' SER . 28.5 m -92.04 -173.99 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.054 -1.462 . . . . 1.0 107.054 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' 1850 ' ' ASP . 3.2 p -24.26 121.07 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.362 0.414 . . . . 1.0 110.998 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1849 ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' 1848 ' ' SER . . . -25.56 -36.78 0.01 OUTLIER Glycine 0 N--CA 1.473 1.14 0 O-C-N 123.555 0.535 . . . . 1.0 112.805 -178.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' 1848 ' ' SER . 3.2 m-20 -41.39 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.64 0.978 . . . . 1.0 113.64 -178.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.595 ' NE ' ' CD2' ' A' 1812 ' ' PHE . 0.0 OUTLIER -141.69 -175.41 4.37 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -176.26 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1852 ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' 1853 ' ' HIS . 3.9 mp -118.25 167.83 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 114.961 -1.018 . . . . 1.0 111.696 -178.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1853 ' ' HIS . . . . . 0.428 ' N ' ' CG2' ' A' 1852 ' ' ILE . 2.2 t-80 -84.06 121.14 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.748 -1.114 . . . . 1.0 110.578 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 19.3 t -59.66 -40.74 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.777 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.13 -38.64 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.235 -0.586 . . . . 1.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.49 -42.83 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.17 -44.59 92.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.755 -0.461 . . . . 1.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.72 -50.03 75.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.099 0.476 . . . . 1.0 110.855 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.19 -34.17 77.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.403 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.46 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.207 -0.597 . . . . 1.0 111.083 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -74.77 -21.75 59.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.173 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 98.1 m -80.25 -33.34 37.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.114 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -46.16 17.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -51.47 -41.04 60.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 3.1 t -38.06 -48.11 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.001 0.429 . . . . 1.0 110.897 -178.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.26 -39.81 11.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.489 179.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . 43.28 -165.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.204 -0.758 . . . . 1.0 111.204 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 47.26 -97.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 1.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 36.1 m -50.02 -59.1 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 127.97 -78.62 0.38 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.709 -0.957 . . . . 1.0 110.709 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1871 ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' A' 1872 ' ' MET . 4.3 tp10 -172.43 -133.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.639 0.257 . . . . 1.0 110.339 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1872 ' ' MET . . . . . 0.409 ' H ' ' CG ' ' A' 1871 ' ' GLU . 13.7 mmt -74.54 -17.98 60.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.36 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -73.54 -27.98 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -53.06 -40.48 64.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.369 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.2 -31.06 62.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -68.34 -33.3 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.535 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 83.0 mt -80.69 -16.88 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1878 ' ' GLN . . . . . 0.512 ' C ' ' H ' ' A' 1880 ' ' GLU . 61.6 tt0 -54.26 -19.12 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 19.9 mmt -59.89 -1.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1880 ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' 1878 ' ' GLN . 14.7 tp10 46.88 35.87 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 1.0 110.093 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -171.4 -104.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.184 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 . . . . . 0 C--N 1.322 -0.605 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.464 179.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.877 0.37 . . . . 1.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -156.31 -82.79 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.449 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.01 136.58 34.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.488 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 6.0 t -163.26 76.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 23.2 m 36.39 -149.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.24 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 65.88 80.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.621 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1783 ' ' THR . . . . . 0.486 ' C ' ' H ' ' A' 1785 ' ' GLU . 2.6 p -111.65 111.98 23.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1784 ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' 1784 ' ' GLU . 38.1 mp0 -75.55 38.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.353 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1785 ' ' GLU . . . . . 0.486 ' H ' ' C ' ' A' 1783 ' ' THR . 37.9 mt-10 -150.15 17.51 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.456 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 8.8 t -146.7 86.02 1.65 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.612 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -47.69 166.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.087 0.47 . . . . 1.0 110.568 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -44.65 115.48 2.37 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.598 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.52 -158.64 0.1 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.786 1.657 . . . . 1.0 111.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 2.1 tt -85.84 96.44 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 1.0 110.069 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 45.0 m -104.87 179.52 4.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.712 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.53 -32.19 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 24.1 t0 -48.57 -31.4 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 1.0 110.448 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.77 -44.78 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.494 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.74 -48.79 58.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.393 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.63 -52.99 31.69 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.283 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 1.5 ptt? -53.32 -36.29 61.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 1.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 27.6 t80 -62.78 -41.19 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -70.28 -31.01 68.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.852 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.93 -40.36 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.297 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.0 t -77.75 -38.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -53.98 -44.39 70.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.023 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -54.01 -28.21 36.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.553 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 51.8 mttm -70.84 -35.45 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1805 ' ' PHE . . . . . 0.428 ' O ' ' OD1' ' A' 1806 ' ' ASP . 44.9 m-85 -95.57 -7.82 36.77 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' 1805 ' ' PHE . 4.8 m-20 -159.94 87.57 1.95 Allowed Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 120.62 -0.432 . . . . 1.0 111.633 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -83.44 -2.24 10.47 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.5 2.133 . . . . 1.0 111.828 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.27 -6.48 56.74 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.245 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.03 29.48 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.236 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.1 p -68.18 -32.52 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1811 ' ' GLN . . . . . 0.409 ' O ' ' CD2' ' A' 1853 ' ' HIS . 32.9 mt-30 75.02 21.26 2.0 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -128.98 152.55 48.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.1 tt -144.41 145.71 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.37 143.27 35.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.096 -0.642 . . . . 1.0 111.586 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.41 -44.46 76.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.293 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.06 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.202 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.76 -2.23 25.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.643 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.3 tp -68.4 -48.71 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.539 . . . . 1.0 111.251 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.2 m -50.58 -34.54 26.17 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.509 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.69 -60.55 2.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 54.8 t80 -46.44 -43.72 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.98 -36.78 29.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.25 -0.887 . . . . 1.0 111.922 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1823 ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' 1833 ' ' LYS . 1.9 m-20 -95.91 3.04 53.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.235 0.541 . . . . 1.0 110.056 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -87.86 -23.23 24.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.917 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 85.2 mt -72.94 170.54 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.344 0.592 . . . . 1.0 110.736 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.95 154.62 47.04 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.258 -0.883 . . . . 1.0 108.695 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1827 ' ' PRO . . . . . 0.464 ' HA ' ' H ' ' A' 1829 ' ' LEU . 12.4 Cg_endo -55.63 148.25 55.25 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.757 1.638 . . . . 1.0 110.637 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.33 48.43 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.924 0 CA-C-N 119.81 0.968 . . . . 1.0 113.057 0.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1829 ' ' LEU . . . . . 0.464 ' H ' ' HA ' ' A' 1827 ' ' PRO . 14.3 mt -132.2 -3.68 3.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.258 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.95 123.31 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.483 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1831 ' ' ILE . . . . . 0.434 ' O ' ' OD2' ' A' 1823 ' ' ASP . 20.7 mt -115.73 106.98 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 N-CA-C 107.623 -1.251 . . . . 1.0 107.623 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -57.16 149.56 19.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.177 0.513 . . . . 1.0 111.524 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1833 ' ' LYS . . . . . 0.488 ' N ' ' OD2' ' A' 1823 ' ' ASP . 8.7 ptmm? -102.22 152.56 38.29 Favored Pre-proline 0 N--CA 1.462 0.167 0 N-CA-C 108.731 -0.84 . . . . 1.0 108.731 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.94 128.07 15.65 Favored 'Cis proline' 0 N--CA 1.505 2.171 0 CA-C-N 119.876 0.991 . . . . 1.0 113.363 0.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.596 ' C ' HD21 ' A' 1835 ' ' ASN . 0.2 OUTLIER -144.24 65.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.163 -1.015 . . . . 1.0 111.37 176.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -83.5 -32.05 26.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.847 0.832 . . . . 1.0 110.66 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.5 t -69.25 -31.92 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.114 -1.403 . . . . 1.0 110.685 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1838 ' ' GLN . . . . . 0.472 ' O ' ' SD ' ' A' 1842 ' ' MET . 18.7 mm100 -68.94 -31.39 70.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.283 0.563 . . . . 1.0 109.528 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 85.3 mt -79.29 -33.71 43.08 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.245 -0.889 . . . . 1.0 111.123 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1840 ' ' ILE . . . . . 0.44 ' C ' ' H ' ' A' 1842 ' ' MET . 74.2 mt -73.15 -41.52 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.459 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -77.73 43.37 0.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.209 0.528 . . . . 1.0 110.346 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1842 ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' 1838 ' ' GLN . 79.5 mtp -137.71 -2.79 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.544 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 37.06 31.68 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.76 0.314 . . . . 1.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1844 ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' 1842 ' ' MET . 2.6 mt -36.59 100.81 0.21 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.76 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.22 118.17 3.04 Favored 'Trans proline' 0 N--CA 1.487 1.145 0 C-N-CA 121.468 1.445 . . . . 1.0 110.608 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 25.9 mtt -101.12 138.61 37.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.236 0.541 . . . . 1.0 110.823 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.512 ' O ' ' C ' ' A' 1848 ' ' SER . 0.2 OUTLIER -80.29 -177.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.079 -1.082 . . . . 1.0 108.079 178.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' 1850 ' ' ASP . 75.7 m 2.19 110.09 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.479 0 O-C-N 124.259 0.974 . . . . 1.0 113.569 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 30.57 -52.57 0.0 OUTLIER Glycine 0 CA--C 1.546 1.989 0 N-CA-C 117.0 1.56 . . . . 1.0 117.0 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.744 ' N ' ' O ' ' A' 1848 ' ' SER . 4.8 p-10 -152.63 78.21 1.19 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 117.28 0.54 . . . . 1.0 111.577 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1851 ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' 1847 ' ' VAL . 24.5 ttp180 -168.63 138.88 2.43 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.753 -0.379 . . . . 1.0 111.353 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -113.52 143.49 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1853 ' ' HIS . . . . . 0.409 ' CD2' ' O ' ' A' 1811 ' ' GLN . 16.4 t-80 -104.2 151.61 23.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.372 0.606 . . . . 1.0 110.766 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.0 t -55.39 -31.15 61.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.158 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 73.3 mt -72.33 -35.34 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.649 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.52 -41.53 69.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.0 110.325 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1857 ' ' ILE . . . . . 0.411 HG21 HD12 ' A' 1857 ' ' ILE . 85.6 mt -67.31 -41.08 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.593 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1858 ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' 1862 ' ' THR . 24.8 tp -62.28 -49.88 73.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.167 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.4 t80 -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.732 0.271 . . . . 1.0 111.732 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.0 110.886 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.35 -22.54 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.839 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1862 ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' 1858 ' ' LEU . 23.8 m -79.19 -33.88 43.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.244 -0.651 . . . . 1.0 109.244 178.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' 1867 ' ' GLY . 17.4 ttpp -73.96 -48.61 29.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.232 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.83 -41.67 64.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.167 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 93.4 t -82.16 -14.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.846 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 7.1 tt -104.34 -17.82 14.67 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.737 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1867 ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -82.08 13.45 38.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -80.72 -13.78 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 1.0 110.667 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 14.4 m -160.6 -20.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 74.27 163.04 9.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -163.58 -25.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.987 0.422 . . . . 1.0 110.47 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 19.8 ptm -89.55 -11.16 43.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.43 -29.08 28.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.653 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.74 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.81 -16.61 62.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -78.93 -28.17 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1877 ' ' ILE . . . . . 0.539 ' N ' ' CD1' ' A' 1877 ' ' ILE . 1.7 mp -78.37 -12.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.23 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -68.66 -28.41 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1879 ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' 1881 ' ' GLU . 13.3 ptt? -160.71 57.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.34 68.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1881 ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' 1879 ' ' MET . 30.2 tt0 -71.37 107.35 4.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.573 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 1.0 110.539 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -78.19 -10.16 59.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -85.72 -173.54 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 23.8 t -63.84 149.84 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 23.9 m -75.62 -176.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -165.42 80.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -70.84 -51.06 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.506 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -136.09 -77.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1785 ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' 1786 ' ' SER . 9.7 tm-20 -161.14 101.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.46 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1786 ' ' SER . . . . . 0.425 ' O ' ' OE2' ' A' 1785 ' ' GLU . 12.8 p -77.4 140.57 39.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -155.55 143.43 19.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -76.58 150.51 82.14 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.355 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.39 -51.28 1.64 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 122.28 1.987 . . . . 1.0 112.476 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.71 128.13 53.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.517 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1791 ' ' SER . . . . . 0.464 ' O ' ' OD2' ' A' 1794 ' ' ASP . 70.1 p -114.45 162.17 17.02 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.123 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -42.97 -37.9 2.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.216 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 47.5 t0 -48.39 -34.47 10.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.471 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1794 ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' 1795 ' ' PHE . 0.6 OUTLIER -70.85 -43.95 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.688 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1795 ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' 1794 ' ' ASP . 8.9 m-85 -50.95 -47.74 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.796 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -68.91 -53.02 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 4.2 ptt? -54.26 -35.52 62.61 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.915 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 35.7 t80 -64.38 -40.06 95.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.519 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.54 -30.78 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.25 -43.34 99.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.5 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 19.5 t -74.36 -38.15 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.913 -0.773 . . . . 1.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -56.52 -42.59 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.951 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.92 -27.57 61.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.494 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.34 -34.15 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.404 0.621 . . . . 1.0 112.297 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -98.13 -5.52 33.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.013 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1806 ' ' ASP . . . . . 0.423 ' OD2' ' OG1' ' A' 1810 ' ' THR . 40.5 t0 -155.36 83.84 3.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.954 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.05 -6.37 12.17 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.284 1.989 . . . . 1.0 111.974 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1808 ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' 1808 ' ' ASP . 4.6 m-20 -88.87 -6.96 56.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.317 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.77 29.53 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 1.0 110.551 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1810 ' ' THR . . . . . 0.423 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 4.4 p -68.65 -31.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1811 ' ' GLN . . . . . 0.498 ' O ' ' SG ' ' A' 1854 ' ' CYS . 9.2 mt-30 77.26 20.16 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.682 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -131.46 155.09 47.96 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.168 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.37 147.28 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 109.744 -0.465 . . . . 1.0 109.744 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.41 142.78 32.66 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.537 -0.465 . . . . 1.0 111.088 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.54 -44.64 81.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.04 36.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 1.0 110.815 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 48.4 mttm -107.25 -0.39 22.62 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.008 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.8 tp -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.574 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 t -73.53 -35.5 65.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.369 -0.532 . . . . 1.0 110.348 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.45 -24.85 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1821 ' ' PHE . . . . . . . . . . . . . 60.9 t80 -81.61 -48.2 12.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.505 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.76 26.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.507 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 11.7 p30 -92.96 1.32 57.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.956 0.408 . . . . 1.0 110.053 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.85 -24.72 24.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.501 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1825 ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.34 172.64 9.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.245 0.545 . . . . 1.0 110.866 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1826 ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' 1826 ' ' ASP . 0.0 OUTLIER -115.98 156.28 46.9 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 108.493 -0.929 . . . . 1.0 108.493 178.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1827 ' ' PRO . . . . . 0.438 ' HA ' ' H ' ' A' 1829 ' ' LEU . 18.0 Cg_endo -59.17 147.88 88.45 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.078 1.852 . . . . 1.0 110.646 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -88.55 50.2 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.944 0 CA-C-N 119.715 0.934 . . . . 1.0 113.136 0.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1829 ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' 1827 ' ' PRO . 6.2 mt -133.35 -6.55 2.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.856 0.36 . . . . 1.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 10.8 tp -76.82 126.79 31.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.574 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 92.3 mt -116.96 105.0 17.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1832 ' ' ALA . . . . . 0.513 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -103.07 113.99 27.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.179 0.99 . . . . 1.0 110.619 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1833 ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' 1832 ' ' ALA . 1.1 mttp -32.16 157.98 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 112.461 -2.154 . . . . 1.0 110.385 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.52 90.02 0.12 OUTLIER 'Cis proline' 0 N--CA 1.495 1.601 0 N-CA-C 115.528 1.318 . . . . 1.0 115.528 1.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1835 ' ' ASN . . . . . 0.536 ' N ' ' ND2' ' A' 1835 ' ' ASN . 0.1 OUTLIER -144.84 64.3 1.29 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.575 0.702 . . . . 1.0 109.54 175.431 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -84.5 -35.5 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.674 -1.148 . . . . 1.0 111.634 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 7.8 t -52.23 -49.07 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 114.112 -1.404 . . . . 1.0 110.378 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -48.61 -32.53 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.241 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.45 -42.33 87.77 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.24 -37.2 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.95 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.279 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 4.1 mtp -75.64 -28.64 58.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.68 0.276 . . . . 1.0 110.824 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.9 41.36 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 1.0 110.019 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.41 107.89 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -42.52 132.78 5.19 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.746 1.631 . . . . 1.0 111.389 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.63 131.01 54.84 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.312 0.577 . . . . 1.0 111.277 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1847 ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -89.26 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.171 -0.922 . . . . 1.0 108.948 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1848 ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' 1850 ' ' ASP . 3.9 m 3.12 115.0 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.539 1.15 . . . . 1.0 112.687 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 7.23 -51.82 0.0 OUTLIER Glycine 0 CA--C 1.542 1.72 0 O-C-N 124.458 1.099 . . . . 1.0 115.809 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1850 ' ' ASP . . . . . 0.782 ' N ' ' O ' ' A' 1848 ' ' SER . 25.7 p30 -132.3 65.93 1.57 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 117.482 0.641 . . . . 1.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -168.57 139.11 2.5 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.246 -0.581 . . . . 1.0 112.471 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1852 ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' A' 1853 ' ' HIS . 39.8 mt -102.54 163.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 116.05 -0.523 . . . . 1.0 112.238 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1853 ' ' HIS . . . . . 0.411 ' N ' ' CG2' ' A' 1852 ' ' ILE . 2.8 t-80 -103.62 121.77 43.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.326 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1854 ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' 1811 ' ' GLN . 6.2 p -57.51 -46.44 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.704 -0.225 . . . . 1.0 110.768 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 24.4 mt -51.42 -38.51 53.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.813 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.63 -46.77 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.065 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.4 mt -57.95 -44.6 87.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1858 ' ' LEU . . . . . 0.449 ' O ' ' OG1' ' A' 1862 ' ' THR . 24.5 tp -64.08 -50.04 69.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 1.0 110.978 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -68.52 -36.36 78.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.779 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.47 -39.44 74.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.411 -0.515 . . . . 1.0 111.063 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -73.7 -22.35 59.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.078 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1862 ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' 1858 ' ' LEU . 24.9 m -79.31 -32.0 43.36 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.098 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1863 ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' 1867 ' ' GLY . 26.8 mmtm -77.64 -44.21 28.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.828 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -52.54 -40.94 63.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.463 0.649 . . . . 1.0 111.256 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 27.6 m -81.09 -15.16 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.47 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.58 -20.13 13.77 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.695 0.283 . . . . 1.0 111.482 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1867 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 1863 ' ' LYS . . . 84.22 157.76 26.62 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.4 -15.49 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 1.0 110.724 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 34.7 t -53.76 -40.28 66.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 63.69 67.91 1.87 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.4 -11.0 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 1.0 110.546 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1872 ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' 1872 ' ' MET . 1.8 tmt? -73.85 -33.42 64.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.529 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -21.0 21.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -81.36 -44.9 16.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 7.9 tt -52.6 -34.68 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.444 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -76.34 -48.61 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.665 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.86 -19.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.84 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.481 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 31.6 tpp -85.35 51.03 2.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.71 -49.03 8.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.14 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.396 -179.897 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1791 ' ' SER . . . . . 0.525 ' N ' ' OD2' ' A' 1794 ' ' ASP . 24.2 t . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 1.0 110.539 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1792 ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' 1792 ' ' GLU . 2.9 mp0 -60.24 -36.66 78.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -48.43 -28.07 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1794 ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' 1791 ' ' SER . 8.4 m-20 -78.49 -43.01 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.425 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -51.6 -50.18 60.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.639 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.24 -44.15 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.74 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1797 ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' 1797 ' ' MET . 15.6 tmm? -58.28 -35.95 72.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.442 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.7 t80 -61.84 -41.09 97.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -69.62 -31.88 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.49 -43.51 96.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.412 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 18.6 t -76.33 -38.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 119.966 -0.694 . . . . 1.0 109.257 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -54.19 -43.27 70.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.554 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.33 -30.04 59.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.735 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 48.8 mttm -69.83 -34.98 74.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.392 0.615 . . . . 1.0 112.421 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -95.95 -7.79 35.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.003 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -159.01 87.67 2.18 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.527 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.79 -2.58 10.96 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.388 2.059 . . . . 1.0 111.484 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -87.39 -8.56 56.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.326 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.29 29.11 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.301 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1810 ' ' THR . . . . . 0.455 HG23 ' H ' ' A' 1812 ' ' PHE . 1.3 t -68.29 -31.93 71.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.122 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 74.67 20.28 2.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.294 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1812 ' ' PHE . . . . . 0.455 ' H ' HG23 ' A' 1810 ' ' THR . 78.5 m-85 -130.76 153.62 48.84 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.16 148.18 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 118.852 0.751 . . . . 1.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.88 143.43 31.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1815 ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' 1815 ' ' PHE . 25.3 t80 -58.48 -44.28 89.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.676 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.67 35.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.41 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -104.16 -4.05 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.001 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.0 tp -68.43 -49.18 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.199 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.2 p -50.11 -34.21 21.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.117 -0.633 . . . . 1.0 110.273 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1820 ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' 1820 ' ' ASP . 0.5 OUTLIER -71.75 -60.71 2.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' 1825 ' ' LEU . 59.8 t80 -46.86 -44.93 19.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.633 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.17 21.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.24 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1823 ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' A' 1833 ' ' LYS . 1.1 p30 -96.45 4.67 51.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.371 0.605 . . . . 1.0 109.964 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -88.82 -22.71 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.907 -1.042 . . . . 1.0 110.287 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' 1821 ' ' PHE . 90.7 mt -72.76 168.05 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.189 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -114.0 150.31 43.32 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.023 -0.732 . . . . 1.0 109.023 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.41 ' HA ' ' H ' ' A' 1829 ' ' LEU . 71.4 Cg_exo -47.35 148.19 5.25 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 120.939 1.092 . . . . 1.0 110.867 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -88.29 46.76 1.1 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.9 1.0 . . . . 1.0 112.357 -0.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.41 ' H ' ' HA ' ' A' 1827 ' ' PRO . 20.0 mt -132.17 -3.3 3.51 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.94 0.4 . . . . 1.0 110.704 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' 1831 ' ' ILE . 16.6 tp -80.9 124.05 28.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 1.0 112.399 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' 1830 ' ' LEU . 64.7 mt -113.91 104.89 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 106.797 -1.557 . . . . 1.0 106.797 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.552 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.8 151.41 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 1.0 111.661 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1833 ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' A' 1823 ' ' ASP . 0.0 OUTLIER -89.66 160.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 107.048 -1.464 . . . . 1.0 107.048 177.34 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1834 ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1836 ' ' LYS . 40.2 Cg_endo -88.77 38.56 3.48 Favored 'Cis proline' 0 N--CA 1.496 1.661 0 C-N-CA 124.822 -0.907 . . . . 1.0 114.111 1.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' 1832 ' ' ALA . 74.5 m-20 -67.91 69.68 0.13 Allowed 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.884 -1.126 . . . . 1.0 111.261 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1836 ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' 1834 ' ' PRO . 3.2 ttmp? -80.32 -33.65 37.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.227 -0.897 . . . . 1.0 111.188 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 24.3 t -60.93 -48.85 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.232 -1.349 . . . . 1.0 110.034 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -49.81 -25.61 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.022 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 15.4 mt -77.11 -36.48 55.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.517 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.94 -40.31 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.24 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.515 0.326 . . . . 1.0 110.798 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1842 ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' 1842 ' ' MET . 3.2 ppp? . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 120.623 0.249 . . . . 1.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.517 0.675 . . . . 1.0 112.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -83.68 125.41 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.514 -1.221 . . . . 1.0 112.249 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 52.6 t -60.62 -43.76 97.12 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.248 -0.181 . . . . 1.0 110.617 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.88 -36.61 62.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.063 -0.655 . . . . 1.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.92 -45.09 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.202 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.57 -44.27 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.25 -49.31 76.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.432 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -51.63 64.17 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.437 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -53.99 -35.47 61.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.049 -0.661 . . . . 1.0 110.756 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.29 -26.92 60.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.568 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.6 p -77.13 -35.65 56.07 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -73.75 -49.05 27.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.324 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -52.58 -41.55 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.428 0.632 . . . . 1.0 111.629 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1865 ' ' VAL . 87.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 114.942 -1.026 . . . . 1.0 110.94 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.874 0.369 . . . . 1.0 110.113 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.76 -30.51 63.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.38 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.43 -29.09 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.627 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.73 -43.37 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -50.8 -49.18 59.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.985 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.86 -48.9 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1797 ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' 1797 ' ' MET . 17.5 tmm? -55.58 -36.6 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.473 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1798 ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.4 t80 -61.92 -42.33 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.476 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.56 -31.89 69.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 1.0 110.042 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.55 -40.93 88.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.153 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 26.3 t -78.06 -38.97 24.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -54.6 -42.97 71.76 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.108 -0.637 . . . . 1.0 110.715 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -55.33 -29.92 59.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.494 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -68.1 -35.3 77.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.369 0.604 . . . . 1.0 112.422 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -96.48 -6.75 36.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.842 -1.072 . . . . 1.0 111.297 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -157.11 86.01 2.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.29 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -82.5 -5.01 11.73 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.279 1.986 . . . . 1.0 111.848 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.68 -4.91 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.182 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.59 28.41 16.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 2.8 p -68.54 -31.56 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.229 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 73.64 22.15 2.66 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.998 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -130.56 152.93 49.4 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.46 146.27 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.77 0.714 . . . . 1.0 109.714 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.33 144.27 30.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -58.14 -43.96 87.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.971 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -53.58 -25.32 16.76 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.315 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.1 3.7 22.25 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.432 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.1 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.218 -0.593 . . . . 1.0 109.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.1 p -66.63 -34.85 78.78 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.6 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.63 -24.02 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' 1825 ' ' LEU . 51.6 t80 -82.3 -47.73 12.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.902 -1.044 . . . . 1.0 111.066 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.82 31.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.352 -0.84 . . . . 1.0 112.55 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1823 ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' 1823 ' ' ASP . 7.6 t0 -94.28 2.41 55.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.028 0.442 . . . . 1.0 110.136 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.64 26.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.086 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' 1821 ' ' PHE . 84.2 mt -72.53 168.92 17.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 1.0 110.804 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -115.14 149.99 43.56 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.477 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.434 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.3 Cg_exo -45.25 148.42 1.9 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.448 1.432 . . . . 1.0 111.518 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -89.55 49.49 0.98 Allowed 'Cis proline' 0 N--CA 1.5 1.887 0 CA-C-N 119.777 0.956 . . . . 1.0 111.99 -0.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.434 ' H ' ' HA ' ' A' 1827 ' ' PRO . 95.9 mt -132.22 -2.84 3.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.214 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 19.9 tp -82.37 122.85 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 1.0 112.357 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.764 ' CG2' HD21 ' A' 1835 ' ' ASN . 16.0 mt -112.31 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.01 152.38 16.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.141 0.496 . . . . 1.0 112.113 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 32.1 mttm -96.01 156.82 36.71 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 108.787 -0.82 . . . . 1.0 108.787 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.06 118.45 5.78 Favored 'Cis proline' 0 N--CA 1.499 1.837 0 C-N-CA 124.294 -1.128 . . . . 1.0 112.647 0.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.764 HD21 ' CG2' ' A' 1831 ' ' ILE . 21.6 p-10 -138.73 67.11 1.41 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.889 -0.724 . . . . 1.0 111.447 178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -83.8 -34.49 24.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.077 0.942 . . . . 1.0 110.507 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 12.1 t -63.62 -47.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 113.634 -1.621 . . . . 1.0 110.165 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -50.34 -26.28 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.193 -0.603 . . . . 1.0 109.552 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.68 -35.6 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.114 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 77.5 mt -74.75 -41.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.386 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.18 -28.19 64.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.416 -0.178 . . . . 1.0 110.765 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.162 0.506 . . . . 1.0 111.569 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -82.81 123.76 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 1.0 111.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 29.7 t -63.34 -35.76 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.478 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.45 -39.43 79.84 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.236 -0.586 . . . . 1.0 109.484 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.44 -44.75 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.267 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.07 -44.97 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.59 -49.69 74.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 1.0 111.387 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 18.0 t80 -70.12 -36.3 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.33 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.956 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1861 ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' 1865 ' ' VAL . 4.8 m-85 -75.19 -21.52 58.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.94 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.7 m -77.63 -32.95 53.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.0 0.428 . . . . 1.0 110.277 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -79.17 -46.04 18.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -51.02 -41.44 59.81 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.5 0.556 . . . . 1.0 112.5 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 1861 ' ' PHE . 3.3 t . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.872 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.829 0.347 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.99 -32.48 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.626 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1793 ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' 1794 ' ' ASP . 28.4 p-10 -48.36 -28.83 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.469 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1794 ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.0 m-20 -78.13 -42.99 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.458 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -51.26 -49.85 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.235 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.85 -51.06 52.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 38.7 ttp -52.64 -35.36 54.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.6 -39.9 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.448 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -70.39 -31.51 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.026 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -60.51 -45.57 93.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 1.0 110.275 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.6 t -72.48 -38.74 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 119.842 -0.743 . . . . 1.0 109.211 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.13 -42.14 76.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.383 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -56.72 -28.58 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.461 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 53.1 mttm -68.62 -34.65 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 1.0 112.359 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -98.05 -4.76 35.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.089 -0.96 . . . . 1.0 111.093 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 38.0 t0 -154.75 82.82 4.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.58 -7.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.214 1.943 . . . . 1.0 111.882 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.86 -4.92 58.82 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.262 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.43 26.78 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 13.7 p -66.38 -31.31 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 75.7 20.53 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.648 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -130.76 155.9 45.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.081 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.43 147.16 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -80.35 141.02 35.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.793 0.33 . . . . 1.0 111.161 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.99 -45.22 79.05 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.397 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.28 -23.81 38.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 1.0 110.726 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -107.28 0.38 23.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.103 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.67 -24.67 63.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.85 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1819 ' ' SER . . . . . 0.503 ' OG ' ' NZ ' ' A' 1836 ' ' LYS . 60.9 m -74.43 -34.93 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 58.0 t0 -68.97 -22.5 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.52 ' CZ ' HD21 ' A' 1825 ' ' LEU . 56.8 t80 -82.81 -47.39 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.666 -1.152 . . . . 1.0 111.02 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.77 34.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.578 -0.737 . . . . 1.0 112.539 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -93.72 1.95 56.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.926 0.393 . . . . 1.0 110.137 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.77 -26.36 27.62 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.145 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.52 HD21 ' CZ ' ' A' 1821 ' ' PHE . 79.0 mt -72.67 164.72 26.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.127 0.489 . . . . 1.0 110.7 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1826 ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.1 OUTLIER -110.71 152.56 43.55 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.07 178.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.408 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.4 Cg_exo -46.46 146.83 4.69 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.035 1.157 . . . . 1.0 110.81 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -88.77 47.33 1.09 Allowed 'Cis proline' 0 N--CA 1.502 2.004 0 CA-C-N 120.011 1.04 . . . . 1.0 112.078 0.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.408 ' H ' ' HA ' ' A' 1827 ' ' PRO . 80.1 mt -131.79 -3.06 3.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.912 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.4 tp -81.56 122.64 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.509 . . . . 1.0 112.167 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.459 ' CG2' ' ND2' ' A' 1835 ' ' ASN . 67.7 mt -115.27 106.45 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 107.663 -1.236 . . . . 1.0 107.663 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.92 150.73 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.651 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.23 159.27 30.56 Favored Pre-proline 0 N--CA 1.464 0.236 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.49 121.16 7.76 Favored 'Cis proline' 0 N--CA 1.502 2.028 0 C-N-CA 124.41 -1.079 . . . . 1.0 112.416 0.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.459 ' ND2' ' CG2' ' A' 1831 ' ' ILE . 15.6 p-10 -138.09 67.56 1.41 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.332 -0.947 . . . . 1.0 112.327 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1836 ' ' LYS . . . . . 0.503 ' NZ ' ' OG ' ' A' 1819 ' ' SER . 15.1 tptt -82.95 -32.73 26.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.955 0.883 . . . . 1.0 110.132 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.2 t -68.4 -31.42 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 113.702 -1.59 . . . . 1.0 110.268 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -67.1 -30.1 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 1.0 109.228 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -79.83 -33.63 40.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.648 -1.16 . . . . 1.0 111.333 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1840 ' ' ILE . . . . . 0.461 ' C ' ' H ' ' A' 1842 ' ' MET . 85.9 mt -74.49 -41.47 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 120.593 -0.443 . . . . 1.0 110.564 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -71.77 40.01 0.07 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.154 -0.341 . . . . 1.0 111.157 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1842 ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' 1840 ' ' ILE . 1.9 ppp? . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 1.0 109.831 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1852 ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' 1853 ' ' HIS . 11.0 mt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 1.0 112.29 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.494 ' N ' HG22 ' A' 1852 ' ' ILE . 2.5 t-80 -103.8 122.63 45.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.065 -0.971 . . . . 1.0 111.045 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 8.3 t -61.85 -43.51 98.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.934 -0.121 . . . . 1.0 111.139 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.58 -37.8 51.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.5 -44.89 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -46.08 85.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.528 -0.305 . . . . 1.0 110.588 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.45 -50.36 74.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.119 0.485 . . . . 1.0 111.102 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.93 -34.03 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.682 -0.69 . . . . 1.0 111.572 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.92 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.926 -0.71 . . . . 1.0 111.265 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -75.11 -26.14 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.734 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.2 m -74.08 -34.26 63.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.042 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1863 ' ' LYS . . . . . 0.444 ' NZ ' ' CB ' ' A' 1863 ' ' LYS . 6.6 ttpm? -77.83 -45.82 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.4 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -51.78 -41.64 61.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.276 0.56 . . . . 1.0 111.458 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' 1865 ' ' VAL . 94.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.099 -0.955 . . . . 1.0 110.682 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1792 ' ' GLU . . . . . 0.586 ' H ' ' CD ' ' A' 1792 ' ' GLU . 5.1 mp0 -70.16 -38.64 75.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 1.0 110.255 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -48.45 -28.55 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.1 -45.8 46.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.428 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -50.12 -48.87 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.051 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.59 -52.43 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -37.35 69.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.506 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1798 ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.8 t80 -62.65 -42.38 99.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.76 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -71.61 -31.19 66.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.45 -41.65 97.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.147 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 42.3 t -74.76 -38.81 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -58.85 -39.64 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.628 -0.829 . . . . 1.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.33 -30.76 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.458 . . . . 1.0 112.235 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -68.7 -27.33 65.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.54 0.686 . . . . 1.0 110.692 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -67.07 -73.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.791 -1.095 . . . . 1.0 111.353 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.41 115.94 33.85 Favored Pre-proline 0 CA--C 1.54 0.582 0 O-C-N 122.365 -0.209 . . . . 1.0 110.578 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -80.84 6.44 5.52 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.081 1.854 . . . . 1.0 112.057 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' 1809 ' ' ALA . 59.7 m-20 -81.06 -18.95 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.168 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1809 ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 70.89 27.31 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 1.0 110.237 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1810 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1811 ' ' GLN . 12.3 p -67.37 -32.91 74.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.674 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1811 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 1810 ' ' THR . 1.6 tp-100 78.94 18.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -127.59 154.91 44.64 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.709 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.2 tt -140.49 147.05 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -78.23 135.09 37.52 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.482 0.549 . . . . 1.0 112.482 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.92 -44.42 66.98 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.996 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.73 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.089 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -112.03 6.7 19.46 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.418 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.42 -29.34 67.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.829 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.4 p -67.56 -34.67 77.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.62 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.89 -26.11 65.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.496 ' CZ ' HD21 ' A' 1825 ' ' LEU . 63.5 t80 -79.58 -48.65 13.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.623 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.3 -37.34 35.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.237 -0.892 . . . . 1.0 112.099 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.73 1.2 56.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.884 0.373 . . . . 1.0 110.486 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.88 -24.15 24.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.146 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' 1821 ' ' PHE . 86.7 mt -75.03 166.71 23.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.663 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.99 150.02 41.76 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.154 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.422 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.6 Cg_exo -45.92 148.9 2.45 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.247 1.298 . . . . 1.0 111.021 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -88.23 47.28 1.03 Allowed 'Cis proline' 0 N--CA 1.5 1.876 0 CA-C-N 119.72 0.936 . . . . 1.0 112.188 -0.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.422 ' H ' ' HA ' ' A' 1827 ' ' PRO . 10.5 mt -131.61 -3.75 3.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.541 0.21 . . . . 1.0 110.732 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' 1831 ' ' ILE . 13.8 tp -80.89 124.21 28.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.157 0.503 . . . . 1.0 112.183 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' 1830 ' ' LEU . 21.9 mt -115.76 106.16 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 107.85 -1.167 . . . . 1.0 107.85 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.13 149.9 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 1.0 111.467 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1833 ' ' LYS . . . . . 0.458 ' HA ' HD22 ' A' 1835 ' ' ASN . 5.0 ptpt -97.72 155.98 36.56 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.94 126.9 13.55 Favored 'Cis proline' 0 N--CA 1.503 2.086 0 C-N-CA 124.643 -0.982 . . . . 1.0 112.689 0.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' 1833 ' ' LYS . 0.4 OUTLIER -143.07 66.77 1.31 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.154 -1.018 . . . . 1.0 111.978 177.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -82.6 -31.64 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.001 0.905 . . . . 1.0 110.257 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 10.9 t -67.64 -32.8 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 113.821 -1.536 . . . . 1.0 110.629 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -69.15 -30.32 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.554 . . . . 1.0 110.035 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.92 -34.86 44.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.362 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.83 -41.45 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -61.45 -25.82 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.586 0.231 . . . . 1.0 110.841 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--N 1.327 -0.39 0 C-N-CA 122.605 0.362 . . . . 1.0 111.389 179.334 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1852 ' ' ILE . . . . . 0.57 ' N ' HD12 ' A' 1852 ' ' ILE . 3.3 mp . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 121.46 0.648 . . . . 1.0 112.21 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.4 ' N ' HG22 ' A' 1852 ' ' ILE . 2.3 t-80 -69.96 121.48 17.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.712 -1.131 . . . . 1.0 110.763 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 32.1 t -58.95 -42.83 90.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.62 -41.5 61.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.721 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.59 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.293 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1857 ' ' ILE . . . . . 0.41 HD11 ' HB ' ' A' 1852 ' ' ILE . 86.6 mt -58.32 -44.81 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.197 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1858 ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' 1862 ' ' THR . 24.1 tp -64.12 -50.73 67.11 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.692 0.282 . . . . 1.0 110.927 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -66.2 -39.67 89.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.08 0.467 . . . . 1.0 110.788 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.05 90.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1861 ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' 1865 ' ' VAL . 5.3 m-85 -74.54 -22.12 59.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.802 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1862 ' ' THR . . . . . 0.536 HG23 ' O ' ' A' 1858 ' ' LEU . 23.3 p -80.26 -31.83 38.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.118 0.485 . . . . 1.0 109.989 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -79.13 -46.65 17.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -51.67 -41.03 61.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' 1865 ' ' VAL . 3.3 t . . . . . 0 N--CA 1.467 0.401 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.236 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.52 -31.93 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -48.47 -30.73 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.675 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.95 -42.88 37.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.599 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -51.25 -50.0 60.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.182 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.67 -51.74 46.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.753 0.311 . . . . 1.0 110.416 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 54.6 ttp -52.47 -34.9 51.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.369 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1798 ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' 1798 ' ' PHE . 33.1 t80 -64.15 -40.25 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.16 -30.77 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.354 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -61.91 -44.25 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 1.0 110.423 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 25.0 t -72.83 -38.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 119.851 -0.74 . . . . 1.0 109.132 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -56.23 -41.98 76.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.994 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.21 -29.06 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.593 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.23 -34.24 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.548 0.689 . . . . 1.0 112.239 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.39 -5.06 37.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.868 -1.06 . . . . 1.0 111.054 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1806 ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' 1811 ' ' GLN . 52.2 t0 -154.1 82.52 4.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 1.0 110.551 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.75 -9.3 13.31 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.358 2.039 . . . . 1.0 112.315 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' 1809 ' ' ALA . 63.0 m-20 -85.94 -4.42 59.16 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.92 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1809 ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 64.97 25.96 12.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.335 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1810 ' ' THR . . . . . 0.403 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 11.0 p -67.27 -32.71 73.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1811 ' ' GLN . . . . . 0.484 ' O ' ' SG ' ' A' 1854 ' ' CYS . 1.9 tp60 77.95 20.02 1.04 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.521 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -129.07 154.44 46.67 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.229 -0.656 . . . . 1.0 109.229 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 9.6 tt -140.12 147.56 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.967 -0.458 . . . . 1.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1814 ' ' GLU . . . . . 0.485 ' HB2' ' HZ3' ' A' 1817 ' ' LYS . 50.9 mt-10 -79.02 136.81 37.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.918 0.39 . . . . 1.0 111.584 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -52.23 -45.39 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.083 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.03 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1817 ' ' LYS . . . . . 0.485 ' HZ3' ' HB2' ' A' 1814 ' ' GLU . 35.0 mtmm -107.86 4.43 25.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.981 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.8 tp -70.9 -22.28 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.407 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 2.3 m -77.42 -35.0 54.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.011 0.434 . . . . 1.0 109.894 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.25 -24.27 64.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.0 109.294 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.488 ' CZ ' HD21 ' A' 1825 ' ' LEU . 61.6 t80 -81.22 -48.01 12.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.911 -1.041 . . . . 1.0 110.906 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.54 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.59 -0.732 . . . . 1.0 112.484 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.23 1.4 56.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.852 0.358 . . . . 1.0 110.469 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.47 26.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.954 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.488 HD21 ' CZ ' ' A' 1821 ' ' PHE . 82.4 mt -73.4 165.67 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.15 0.5 . . . . 1.0 110.587 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.85 157.9 37.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.259 -1.015 . . . . 1.0 108.259 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.436 ' HA ' ' H ' ' A' 1829 ' ' LEU . 15.9 Cg_endo -55.62 147.62 58.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.024 1.816 . . . . 1.0 110.554 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -88.06 48.11 0.94 Allowed 'Cis proline' 0 N--CA 1.5 1.893 0 CA-C-N 119.758 0.949 . . . . 1.0 112.879 0.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.436 ' H ' ' HA ' ' A' 1827 ' ' PRO . 67.1 mt -130.75 -3.11 4.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.82 0.343 . . . . 1.0 110.147 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.72 123.22 28.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.572 0.582 . . . . 1.0 112.572 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 23.9 mt -114.11 105.76 19.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.061 -1.459 . . . . 1.0 107.061 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -58.22 150.88 20.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.197 0.523 . . . . 1.0 111.938 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 32.1 mttm -96.44 158.15 34.28 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.59 118.41 5.77 Favored 'Cis proline' 0 N--CA 1.499 1.802 0 C-N-CA 124.749 -0.938 . . . . 1.0 112.347 -0.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' 1835 ' ' ASN . 8.6 p-10 -142.03 67.26 1.33 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 119.327 -0.949 . . . . 1.0 111.681 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 47.1 tttt -83.5 -31.58 26.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.322 1.058 . . . . 1.0 110.292 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 20.1 t -64.11 -47.81 88.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 113.328 -1.76 . . . . 1.0 110.724 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1838 ' ' GLN . . . . . 0.442 ' H ' ' CD ' ' A' 1838 ' ' GLN . 22.2 mp0 -51.06 -26.65 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.345 0.593 . . . . 1.0 109.42 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.45 -34.88 47.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.955 -1.021 . . . . 1.0 111.476 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1840 ' ' ILE . . . . . 0.429 ' C ' ' H ' ' A' 1842 ' ' MET . 82.8 mt -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.335 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.31 42.36 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.573 0.225 . . . . 1.0 110.471 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1842 ' ' MET . . . . . 0.429 ' H ' ' C ' ' A' 1840 ' ' ILE . 7.5 mtt . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 122.638 0.375 . . . . 1.0 110.47 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1852 ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' 1852 ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 121.466 0.65 . . . . 1.0 111.648 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.505 ' N ' HG22 ' A' 1852 ' ' ILE . 2.2 t-80 -77.04 121.73 23.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1854 ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' 1811 ' ' GLN . 5.1 p -60.03 -44.32 94.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.103 -0.498 . . . . 1.0 111.033 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.34 -38.61 54.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.152 -0.619 . . . . 1.0 110.159 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 19.9 t0 -73.32 -43.03 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.582 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.23 -44.98 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.2 -50.47 73.91 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.086 0.47 . . . . 1.0 110.992 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.44 -29.39 70.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.469 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.42 69.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 1.0 111.315 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.69 -30.81 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.593 -1.185 . . . . 1.0 110.306 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 52.2 m -71.96 -34.1 68.71 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 120.395 -0.522 . . . . 1.0 109.768 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 60.9 tttt -77.78 -46.09 22.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.165 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -52.13 -41.91 62.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.264 0.554 . . . . 1.0 111.572 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' 1865 ' ' VAL . 88.2 t . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.823 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.464 0.238 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1792 ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' 1792 ' ' GLU . 1.4 pm0 -44.3 -31.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 1.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -48.47 -33.1 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.576 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -72.7 -44.61 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.557 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -50.23 -48.63 54.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.029 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.12 -53.33 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.255 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.7 -35.98 64.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.772 0.32 . . . . 1.0 110.454 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -70.23 -30.8 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.83 -41.11 95.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.253 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 34.6 t -76.42 -39.0 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -54.7 -42.75 71.82 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.739 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.91 -29.6 42.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.566 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.1 -35.55 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.793 0.664 . . . . 1.0 112.793 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -94.88 -8.14 38.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.354 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.4 88.1 1.82 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.703 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.07 -1.25 10.32 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.372 2.048 . . . . 1.0 111.479 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' 1808 ' ' ASP . 54.1 t0 -87.99 -7.85 56.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.273 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.21 28.11 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 10.8 p -68.69 -31.97 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.05 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 75.13 22.06 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -129.36 151.83 49.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.67 146.64 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -80.22 141.42 35.63 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.08 -44.71 79.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.15 -23.82 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.813 0.339 . . . . 1.0 110.662 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.46 0.05 24.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.264 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -68.9 -24.58 64.33 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.378 -0.529 . . . . 1.0 110.525 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1819 ' ' SER . . . . . 0.536 ' O ' ' NZ ' ' A' 1833 ' ' LYS . 30.8 p -74.69 -35.71 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.385 -0.526 . . . . 1.0 110.103 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -68.82 -23.54 64.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.529 ' CZ ' HD21 ' A' 1825 ' ' LEU . 60.8 t80 -82.84 -47.35 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.188 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.05 -37.19 32.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.136 -0.938 . . . . 1.0 112.701 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.06 3.09 55.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.096 0.475 . . . . 1.0 110.134 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.66 -25.28 26.66 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.362 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' 1821 ' ' PHE . 78.5 mt -72.44 166.47 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.62 151.38 43.31 Favored Pre-proline 0 N--CA 1.465 0.309 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.416 ' HA ' ' H ' ' A' 1829 ' ' LEU . 74.2 Cg_exo -46.4 146.75 4.66 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.202 1.268 . . . . 1.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.71 48.44 0.98 Allowed 'Cis proline' 0 N--CA 1.501 1.956 0 CA-C-N 119.936 1.013 . . . . 1.0 112.05 -0.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' 1827 ' ' PRO . 85.1 mt -132.75 -3.64 3.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.66 0.267 . . . . 1.0 110.917 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' 1831 ' ' ILE . 17.1 tp -80.63 124.87 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' 1830 ' ' LEU . 55.6 mt -115.16 104.63 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 107.355 -1.35 . . . . 1.0 107.355 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.561 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.36 151.33 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1833 ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' 1819 ' ' SER . 39.5 mttp -91.69 155.94 43.28 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -87.63 105.33 0.61 Allowed 'Cis proline' 0 N--CA 1.5 1.883 0 C-N-CA 124.889 -0.88 . . . . 1.0 113.273 1.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' 1832 ' ' ALA . 94.1 m-20 -131.18 68.59 1.49 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.249 0.931 . . . . 1.0 111.732 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 42.2 tttt -80.61 -32.32 36.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.116 0.96 . . . . 1.0 110.367 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 44.5 t -64.81 -45.58 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 113.718 -1.583 . . . . 1.0 109.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -51.05 -26.63 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.173 0.511 . . . . 1.0 109.67 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.18 -34.72 49.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.732 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 87.1 mt -73.67 -43.1 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.849 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.12 64.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.194 -0.316 . . . . 1.0 110.964 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 27.6 mmm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.609 0.242 . . . . 1.0 111.273 179.889 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.439 ' O ' ' OD2' ' A' 1856 ' ' ASP . 7.0 t-80 -105.12 121.47 43.89 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.987 0.422 . . . . 1.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1854 ' ' CYS . . . . . 0.469 ' HA ' HD12 ' A' 1857 ' ' ILE . 15.6 p -37.06 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 1.0 112.15 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1855 ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' 1855 ' ' LEU . 12.9 mt -53.78 -42.18 68.03 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.811 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1856 ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' 1857 ' ' ILE . 2.6 p30 -74.14 -37.05 64.17 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.247 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1857 ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' 1854 ' ' CYS . 19.5 mt -63.28 -42.8 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.751 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1858 ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' 1862 ' ' THR . 32.6 tp -62.43 -49.24 76.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.215 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.06 -41.6 86.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.955 -0.298 . . . . 1.0 111.207 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.605 -0.438 . . . . 1.0 111.688 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.22 -25.03 57.84 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.586 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1862 ' ' THR . . . . . 0.563 HG23 ' O ' ' A' 1858 ' ' LEU . 16.0 p -75.08 -31.8 61.32 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1863 ' ' LYS . . . . . 0.511 ' NZ ' ' CB ' ' A' 1863 ' ' LYS . 4.6 ttpm? -78.88 -45.52 20.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.303 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -50.93 -40.98 58.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.456 0.646 . . . . 1.0 111.331 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' 1865 ' ' VAL . 40.6 t . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.993 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.735 0.302 . . . . 1.0 110.431 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1792 ' ' GLU . . . . . 0.617 ' CD ' ' H ' ' A' 1792 ' ' GLU . 7.5 pm0 -56.81 -30.04 63.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.188 0.518 . . . . 1.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1793 ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' 1794 ' ' ASP . 50.1 p-10 -48.66 -27.49 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.481 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1794 ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.8 m-20 -78.75 -43.78 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.524 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -50.92 -49.62 59.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.6 -51.08 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 110.307 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 44.9 ttp -52.87 -36.82 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.263 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -62.01 -42.16 98.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.454 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1799 ' ' TYR . . . . . 0.427 ' O ' ' OE2' ' A' 1803 ' ' GLU . 49.4 m-85 -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.112 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -60.63 -43.6 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.449 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.3 t -74.93 -38.34 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.529 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1802 ' ' TRP . . . . . 0.515 ' CZ3' ' SG ' ' A' 1854 ' ' CYS . 14.6 t-105 -59.92 -38.71 83.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.843 -0.743 . . . . 1.0 111.641 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1803 ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' 1803 ' ' GLU . 0.1 OUTLIER -64.98 -29.79 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.1 -0.24 . . . . 1.0 111.383 -178.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 56.7 mttp -68.18 -28.61 67.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.797 0.808 . . . . 1.0 110.777 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.03 -73.99 0.13 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.328 -1.305 . . . . 1.0 111.738 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1806 ' ' ASP . . . . . 0.573 ' C ' ' H ' ' A' 1808 ' ' ASP . 77.1 m-20 -118.63 86.66 29.95 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.27 -0.269 . . . . 1.0 110.992 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.49 3.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 122.746 2.297 . . . . 1.0 113.029 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.573 ' H ' ' C ' ' A' 1806 ' ' ASP . 52.3 t0 -81.98 -15.12 54.81 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1809 ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 69.57 26.34 5.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.212 0.53 . . . . 1.0 110.169 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.5 p -66.58 -33.08 74.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.601 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 75.55 16.27 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -127.04 156.76 41.14 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.4 tt -143.09 147.21 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 118.43 0.559 . . . . 1.0 109.865 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1814 ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' 1814 ' ' GLU . 23.0 mp0 -80.57 140.51 35.76 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.363 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.78 -45.34 70.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.651 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.51 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 65.2 mttm -107.19 1.6 24.15 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.917 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 67.8 tp -67.22 -27.97 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.096 -0.641 . . . . 1.0 110.984 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1819 ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' 1823 ' ' ASP . 47.6 m -70.33 -35.27 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.206 -0.597 . . . . 1.0 110.471 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.17 -25.66 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.3 t80 -79.81 -48.83 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.124 -0.944 . . . . 1.0 110.422 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.67 36.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.955 -1.021 . . . . 1.0 112.171 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1823 ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' 1819 ' ' SER . 4.2 p30 -94.01 1.61 56.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.964 0.412 . . . . 1.0 110.519 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.47 -25.77 26.7 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.057 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' 1821 ' ' PHE . 78.2 mt -73.24 166.44 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1826 ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.7 OUTLIER -112.08 151.26 43.47 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.214 178.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.414 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.1 Cg_exo -46.09 147.63 3.49 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.28 1.32 . . . . 1.0 111.118 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -89.25 48.25 1.06 Allowed 'Cis proline' 0 N--CA 1.499 1.828 0 CA-C-N 119.874 0.991 . . . . 1.0 112.124 -0.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.414 ' H ' ' HA ' ' A' 1827 ' ' PRO . 72.3 mt -132.7 -3.06 3.3 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.654 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' 1831 ' ' ILE . 16.0 tp -81.55 123.64 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.459 0.54 . . . . 1.0 112.459 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' 1830 ' ' LEU . 28.5 mt -113.5 103.59 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 1.0 107.089 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.575 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -57.78 151.78 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.976 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.46 159.82 32.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 107.67 -1.233 . . . . 1.0 107.67 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.72 102.06 0.37 Allowed 'Cis proline' 0 N--CA 1.499 1.797 0 C-N-CA 124.64 -0.983 . . . . 1.0 113.291 1.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.575 ' ND2' ' O ' ' A' 1832 ' ' ALA . 5.9 m-80 -127.53 69.05 1.3 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.387 0.994 . . . . 1.0 111.504 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1836 ' ' LYS . . . . . 0.447 ' CB ' ' NZ ' ' A' 1836 ' ' LYS . 2.5 ttmp? -80.68 -31.16 36.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.318 1.056 . . . . 1.0 110.061 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 14.6 t -64.79 -47.04 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 113.267 -1.788 . . . . 1.0 110.298 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -50.34 -25.87 4.29 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.14 -35.14 49.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.084 -0.962 . . . . 1.0 110.913 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 81.3 mt -74.11 -41.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.448 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -59.29 -27.84 66.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.346 -0.221 . . . . 1.0 111.021 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 21.4 mmm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 1.0 111.3 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 1.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.468 ' CE1' ' HG ' ' A' 1855 ' ' LEU . 5.7 t-160 -79.45 122.01 25.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.957 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1854 ' ' CYS . . . . . 0.515 ' SG ' ' CZ3' ' A' 1802 ' ' TRP . 33.2 t -63.42 -33.51 75.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.598 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1855 ' ' LEU . . . . . 0.468 ' HG ' ' CE1' ' A' 1853 ' ' HIS . 0.2 OUTLIER -51.39 -43.98 62.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -45.89 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.81 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.19 -46.15 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1858 ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' 1862 ' ' THR . 55.7 tp -62.29 -50.56 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 111.14 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.8 t80 -67.76 -36.21 80.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.386 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.74 81.11 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.26 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -74.86 -48.07 26.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.138 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1862 ' ' THR . . . . . 0.416 HG23 ' O ' ' A' 1858 ' ' LEU . 21.6 p -52.02 -32.59 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 1.0 109.877 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -79.23 -46.04 18.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -51.12 -41.34 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.927 -179.131 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 1.0 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.87 -29.53 70.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.531 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.37 -29.71 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.504 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.8 -42.09 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.417 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.55 -49.66 61.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.928 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1796 ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' 1800 ' ' GLU . 39.9 mt-10 -69.04 -50.27 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 1.0 110.59 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 34.5 ttp -52.29 -34.77 48.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 29.8 t80 -63.92 -38.44 91.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.265 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.82 -32.36 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1800 ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' 1800 ' ' GLU . 0.3 OUTLIER -61.0 -43.86 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.064 -0.347 . . . . 1.0 110.064 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.3 t -73.6 -38.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.959 -0.696 . . . . 1.0 109.158 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -55.2 -42.33 73.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.791 -0.641 . . . . 1.0 111.01 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.41 -29.26 58.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.561 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 55.4 mttm -69.22 -35.45 76.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.597 0.592 . . . . 1.0 112.597 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.09 -6.15 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.015 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1806 ' ' ASP . . . . . 0.429 ' OD2' ' OG1' ' A' 1810 ' ' THR . 42.9 t0 -155.44 84.7 3.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.096 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.46 -6.51 12.72 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.218 1.945 . . . . 1.0 111.652 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' 1808 ' ' ASP . 10.8 t70 -88.84 -5.56 57.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.61 27.98 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 1.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1810 ' ' THR . . . . . 0.429 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 3.2 p -67.32 -31.5 71.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 74.15 20.66 2.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -129.95 153.61 48.19 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.909 -0.774 . . . . 1.0 108.909 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -143.05 147.78 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 118.77 0.713 . . . . 1.0 110.072 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -81.82 142.09 32.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.92 -44.46 82.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.717 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.26 -24.32 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.007 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -105.83 -0.32 25.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.489 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 63.9 tp -67.08 -30.68 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.228 -0.589 . . . . 1.0 110.661 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.3 p -68.56 -35.63 77.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.262 -0.575 . . . . 1.0 110.373 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -69.89 -24.88 63.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.533 ' CZ ' HD21 ' A' 1825 ' ' LEU . 54.0 t80 -81.86 -48.04 12.05 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.781 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.25 -37.26 22.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.043 -0.981 . . . . 1.0 112.383 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.49 3.45 55.12 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.983 0.42 . . . . 1.0 110.13 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.8 -25.81 26.11 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.31 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.533 HD21 ' CZ ' ' A' 1821 ' ' PHE . 76.6 mt -72.14 167.0 21.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.539 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.91 150.41 42.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.421 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.7 Cg_exo -46.65 148.08 3.95 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.311 1.341 . . . . 1.0 111.041 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1828 ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' 1865 ' ' VAL . 47.7 Cg_endo -88.87 48.04 1.04 Allowed 'Cis proline' 0 N--CA 1.501 1.969 0 CA-C-N 119.936 1.013 . . . . 1.0 112.238 -0.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.421 ' H ' ' HA ' ' A' 1827 ' ' PRO . 36.5 mt -132.7 -3.54 3.28 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.864 0.364 . . . . 1.0 110.642 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' 1831 ' ' ILE . 13.9 tp -80.54 124.11 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.34 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' 1830 ' ' LEU . 31.1 mt -113.94 104.12 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 107.297 -1.372 . . . . 1.0 107.297 177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.579 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -58.27 150.89 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.876 -0.329 . . . . 1.0 111.035 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -94.34 159.95 32.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -85.69 101.88 0.36 Allowed 'Cis proline' 0 N--CA 1.498 1.737 0 C-N-CA 124.728 -0.947 . . . . 1.0 113.44 1.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' 1832 ' ' ALA . 10.8 m-80 -129.25 68.82 1.41 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.309 0.959 . . . . 1.0 111.484 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 43.3 tttt -80.35 -31.19 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.394 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 30.6 t -63.67 -47.55 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 113.464 -1.698 . . . . 1.0 110.16 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -50.47 -26.37 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.325 0.583 . . . . 1.0 109.526 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.43 -36.1 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.796 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.7 mt -73.88 -41.29 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.313 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.48 41.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.552 0.215 . . . . 1.0 110.638 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 30.3 mtm . . . . . 0 N--CA 1.465 0.302 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.646 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 24.6 mt . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.22 0.533 . . . . 1.0 112.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.22 123.21 29.36 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.09 -0.959 . . . . 1.0 111.888 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.4 p -63.77 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.814 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.17 -38.84 87.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.5 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1856 ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' 1856 ' ' ASP . 2.2 m-20 -71.51 -44.73 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.181 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.34 -45.14 85.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.61 -49.75 73.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.27 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 80.7 t80 -67.1 -45.14 78.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.744 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.0 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.194 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1861 ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' 1865 ' ' VAL . 6.3 m-85 -76.5 -25.44 54.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 99.8 m -76.66 -32.5 57.99 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 29.1 tttm -76.62 -47.31 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.482 -0.781 . . . . 1.0 109.583 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -51.73 -41.72 61.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.822 -0.627 . . . . 1.0 111.549 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' 1861 ' ' PHE . 31.1 m . . . . . 0 CA--C 1.537 0.466 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.969 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.15 -40.09 73.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -48.39 -29.55 4.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.36 -42.61 29.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.577 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.34 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -67.93 -49.99 58.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 1.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1797 ' ' MET . . . . . 0.412 ' SD ' ' OD1' ' A' 1826 ' ' ASP . 25.9 ttp -52.6 -35.98 55.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.03 -40.67 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -69.5 -31.7 70.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.186 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -59.82 -44.4 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.4 t -74.6 -38.75 46.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.009 -0.677 . . . . 1.0 109.309 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -55.43 -42.59 74.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.156 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.23 -28.99 60.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.176 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -67.85 -35.72 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.499 0.666 . . . . 1.0 112.377 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -98.32 -4.77 34.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.86 -1.064 . . . . 1.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1806 ' ' ASP . . . . . 0.427 ' OD1' ' OG1' ' A' 1810 ' ' THR . 20.4 t70 -156.68 83.49 3.2 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 1.0 111.053 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.33 -5.89 12.76 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.336 2.024 . . . . 1.0 111.857 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.467 ' CG ' HG23 ' A' 1810 ' ' THR . 12.1 p30 -89.47 -4.28 58.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.277 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.02 27.79 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1810 ' ' THR . . . . . 0.467 HG23 ' CG ' ' A' 1808 ' ' ASP . 9.2 p -68.83 -31.13 69.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.112 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 75.55 23.55 1.45 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.87 0.731 . . . . 1.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.25 151.75 51.19 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.3 tt -142.96 147.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 118.678 0.672 . . . . 1.0 109.869 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -81.16 141.09 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.064 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.35 -46.17 72.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.127 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.46 -24.89 33.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.19 -0.04 24.9 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.272 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.2 tp -69.12 -24.42 64.11 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.342 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 13.3 p -75.6 -34.63 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.265 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.32 -22.89 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' 1825 ' ' LEU . 55.3 t80 -82.78 -47.28 12.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.623 -1.171 . . . . 1.0 111.079 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.93 -38.32 35.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.525 -0.761 . . . . 1.0 112.617 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.96 1.92 56.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.942 0.401 . . . . 1.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.28 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.858 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' 1821 ' ' PHE . 84.3 mt -71.97 164.15 26.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.83 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1826 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1827 ' ' PRO . 0.0 OUTLIER -110.59 151.97 43.11 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 179.171 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.431 ' O ' ' OD1' ' A' 1826 ' ' ASP . 73.9 Cg_exo -45.68 146.93 3.31 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.445 1.43 . . . . 1.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -88.75 48.29 1.0 Allowed 'Cis proline' 0 N--CA 1.502 2.015 0 CA-C-N 119.998 1.035 . . . . 1.0 112.06 -0.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.424 ' H ' ' HA ' ' A' 1827 ' ' PRO . 72.1 mt -132.47 -2.88 3.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.907 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.99 121.53 26.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.091 0.472 . . . . 1.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.621 HG22 ' OD1' ' A' 1835 ' ' ASN . 49.5 mt -114.13 106.72 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -55.34 151.69 9.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.655 -0.702 . . . . 1.0 111.38 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 48.8 mttt -99.72 157.36 34.08 Favored Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.13 124.45 10.62 Favored 'Cis proline' 0 N--CA 1.504 2.133 0 C-N-CA 124.506 -1.039 . . . . 1.0 112.7 0.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.797 HD22 ' H ' ' A' 1835 ' ' ASN . 0.0 OUTLIER -139.85 65.9 1.41 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.333 -0.947 . . . . 1.0 111.808 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.46 -32.33 26.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.311 1.053 . . . . 1.0 110.145 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 37.0 t -67.69 -54.1 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 113.861 -1.518 . . . . 1.0 110.803 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -55.2 -25.98 36.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.916 0.865 . . . . 1.0 108.859 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1839 ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' 1835 ' ' ASN . 0.9 OUTLIER -75.62 -39.67 57.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.997 -1.456 . . . . 1.0 109.701 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.31 -36.35 42.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.962 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.51 59.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.596 -0.275 . . . . 1.0 110.651 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 40.8 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.641 0.258 . . . . 1.0 111.124 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.465 0.65 . . . . 1.0 112.708 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -82.45 123.55 29.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.692 -1.14 . . . . 1.0 111.895 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1854 ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' 1855 ' ' LEU . 16.3 p -63.9 -36.54 84.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.642 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1855 ' ' LEU . . . . . 0.435 ' N ' ' SG ' ' A' 1854 ' ' CYS . 36.0 mt -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.859 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.92 -43.05 62.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.344 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.5 -45.31 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.73 -50.34 74.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.059 0.456 . . . . 1.0 110.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -67.64 -32.39 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.11 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.8 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 1.0 111.48 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.84 -22.81 58.48 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.723 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 26.9 m -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.127 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -76.61 -45.99 27.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.649 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -51.52 -41.52 61.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.432 0.634 . . . . 1.0 111.222 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' 1865 ' ' VAL . 56.7 t . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 114.954 -1.021 . . . . 1.0 111.14 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 N--CA 1.466 0.344 0 CA-C-O 120.889 0.376 . . . . 1.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.8 -30.67 70.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.699 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -48.1 -28.64 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.041 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -73.31 -45.63 54.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.274 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -50.59 -48.26 57.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.19 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -70.58 -53.96 13.95 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.646 0.61 . . . . 1.0 112.646 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1797 ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' 1797 ' ' MET . 0.0 OUTLIER -52.94 -34.02 53.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.829 0.347 . . . . 1.0 110.661 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 28.0 t80 -64.81 -39.61 93.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.42 -30.52 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.24 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.405 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 16.2 t -75.06 -38.49 42.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.19 -0.67 . . . . 1.0 109.19 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -56.27 -42.72 77.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.296 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.6 -28.05 63.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.638 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.99 -32.91 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 1.0 112.111 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1805 ' ' PHE . . . . . 0.41 ' O ' ' OD1' ' A' 1806 ' ' ASP . 68.7 m-85 -98.02 -5.59 33.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.886 -1.052 . . . . 1.0 111.223 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1806 ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' 1805 ' ' PHE . 64.0 m-20 -158.36 86.54 2.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.765 -0.374 . . . . 1.0 111.375 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.47 -3.75 10.79 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.283 1.989 . . . . 1.0 111.73 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.417 ' CG ' HG23 ' A' 1810 ' ' THR . 18.9 p30 -92.17 -5.96 51.6 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.1 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 58.79 32.03 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1810 ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' 1808 ' ' ASP . 7.7 p -69.99 -31.75 69.59 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 80.09 24.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.17 -0.923 . . . . 1.0 111.011 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -130.56 149.68 52.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -140.98 147.12 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1814 ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' 1815 ' ' PHE . 0.0 OUTLIER -79.71 135.63 36.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.025 0.38 . . . . 1.0 112.025 -177.776 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1815 ' ' PHE . . . . . 0.538 ' N ' ' OE1' ' A' 1814 ' ' GLU . 34.9 t80 -53.03 -44.93 67.74 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.476 -0.49 . . . . 1.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.66 -22.58 46.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.259 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -109.23 2.16 20.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.263 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.58 -27.65 65.3 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.035 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.8 m -70.46 -34.49 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.594 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -73.61 -26.37 60.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.57 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.58 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.5 t80 -80.55 -48.36 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.87 15.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.587 -1.188 . . . . 1.0 111.325 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.63 3.77 54.67 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.01 0.433 . . . . 1.0 110.208 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -90.46 -22.05 21.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.787 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.58 HD21 ' CZ ' ' A' 1821 ' ' PHE . 89.8 mt -70.91 178.01 3.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.138 0.494 . . . . 1.0 110.849 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -122.32 146.13 46.25 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.488 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.446 ' HA ' ' H ' ' A' 1829 ' ' LEU . 60.5 Cg_exo -48.29 148.24 7.7 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.226 1.284 . . . . 1.0 111.035 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.72 48.19 1.01 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.871 0.99 . . . . 1.0 112.113 -0.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.446 ' H ' ' HA ' ' A' 1827 ' ' PRO . 15.8 mt -134.03 -4.81 2.76 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.861 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' 1831 ' ' ILE . 10.2 tp -79.29 126.49 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.503 . . . . 1.0 112.135 -178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.554 ' N ' HD12 ' A' 1830 ' ' LEU . 71.5 mt -117.87 100.35 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 106.198 -1.779 . . . . 1.0 106.198 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -108.2 67.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.154 -0.93 . . . . 1.0 112.046 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1833 ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' 1832 ' ' ALA . 2.0 mptm? 50.02 158.49 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.458 -0.792 . . . . 1.0 111.411 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -97.73 28.74 15.75 Favored 'Cis proline' 0 N--CA 1.493 1.495 0 CA-C-N 118.735 0.584 . . . . 1.0 112.557 -0.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' 1835 ' ' ASN . 3.5 p30 -96.5 70.6 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.7 -37.5 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.826 0.822 . . . . 1.0 109.995 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 15.8 t -50.58 -44.88 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.184 -1.371 . . . . 1.0 110.157 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1838 ' ' GLN . . . . . 0.478 ' N ' ' OE1' ' A' 1838 ' ' GLN . 0.9 OUTLIER -48.18 -33.2 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.674 -1.148 . . . . 1.0 110.344 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.61 -41.49 83.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.157 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.0 mt -74.03 -34.18 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -75.25 44.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 122.557 0.343 . . . . 1.0 110.989 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 35.9 mt . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.313 0.578 . . . . 1.0 111.916 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.47 121.78 16.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.437 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.15 -41.37 99.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.665 -0.243 . . . . 1.0 111.246 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.49 -39.12 56.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.494 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.52 -38.12 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.568 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.1 -44.04 90.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -49.33 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.981 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.95 -47.04 75.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.463 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.43 81.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.012 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.83 -22.84 58.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.536 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 90.2 m -79.01 -34.46 43.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -76.85 -45.68 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.571 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -52.34 -41.75 63.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.542 . . . . 1.0 111.951 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' 1865 ' ' VAL . 45.8 t . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.904 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1791 ' ' SER . . . . . 0.514 ' N ' ' OD2' ' A' 1794 ' ' ASP . 69.3 m . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.37 -36.32 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1793 ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' 1793 ' ' ASP . 0.4 OUTLIER -48.56 -33.27 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.734 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1794 ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' 1791 ' ' SER . 4.5 m-20 -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 1.0 110.48 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.18 -49.66 60.51 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.123 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -65.65 -49.07 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.529 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1797 ' ' MET . . . . . 0.46 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.7 tmm? -55.45 -36.81 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.201 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1798 ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.5 t80 -61.76 -41.5 97.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.98 -32.28 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.275 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -60.66 -41.41 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.6 t -76.52 -38.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -56.26 -42.06 76.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.837 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.37 -28.3 58.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.338 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -68.74 -35.41 77.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.415 0.626 . . . . 1.0 111.979 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.47 -5.56 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.959 -1.019 . . . . 1.0 111.522 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 41.2 t0 -157.66 84.73 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.252 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.95 -4.78 12.09 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.176 1.917 . . . . 1.0 111.658 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 45.2 t0 -89.6 -6.18 56.48 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.84 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.45 30.62 18.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 8.2 p -68.87 -31.45 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 75.96 23.63 1.29 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.457 -0.792 . . . . 1.0 110.54 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1812 ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' 1852 ' ' ILE . 1.3 m-85 -131.56 151.07 51.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.2 tt -140.77 149.61 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.124 0.42 . . . . 1.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.24 135.44 36.77 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.087 0.403 . . . . 1.0 112.087 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -52.53 -45.87 66.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.694 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -58.65 -22.7 57.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.037 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1817 ' ' LYS . . . . . 0.426 ' CB ' ' NZ ' ' A' 1817 ' ' LYS . 6.3 ttpm? -107.69 0.05 22.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.026 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.18 -26.66 65.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.866 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 4.4 m -71.68 -35.29 70.25 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.561 -0.455 . . . . 1.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1820 ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' 1820 ' ' ASP . 66.6 t0 -69.21 -25.09 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.562 -0.532 . . . . 1.0 109.562 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.506 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.5 t80 -81.94 -48.09 11.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.815 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.43 -37.21 24.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.25 -0.886 . . . . 1.0 112.183 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -94.06 2.44 56.03 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.97 0.414 . . . . 1.0 110.186 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.55 -24.87 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.162 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.506 HD21 ' CZ ' ' A' 1821 ' ' PHE . 91.3 mt -73.4 168.35 19.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.089 0.471 . . . . 1.0 110.613 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.48 149.22 41.84 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.406 ' HA ' ' H ' ' A' 1829 ' ' LEU . 72.6 Cg_exo -45.74 148.62 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.071 1.181 . . . . 1.0 110.949 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -88.39 46.72 1.12 Allowed 'Cis proline' 0 N--CA 1.501 1.929 0 CA-C-N 119.883 0.994 . . . . 1.0 112.292 -0.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.406 ' H ' ' HA ' ' A' 1827 ' ' PRO . 21.8 mt -131.19 -3.43 3.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.679 0.276 . . . . 1.0 110.822 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 14.8 tp -79.85 123.35 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 1.0 111.767 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.645 HG22 ' OD1' ' A' 1835 ' ' ASN . 16.2 mt -115.63 107.34 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.94 149.26 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.123 0.487 . . . . 1.0 111.182 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -101.26 158.73 31.23 Favored Pre-proline 0 C--N 1.331 -0.239 0 N-CA-C 108.583 -0.895 . . . . 1.0 108.583 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -75.27 121.12 7.19 Favored 'Cis proline' 0 N--CA 1.505 2.148 0 C-N-CA 125.089 -0.796 . . . . 1.0 112.703 -0.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.645 ' OD1' HG22 ' A' 1831 ' ' ILE . 0.1 OUTLIER -140.24 66.78 1.38 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.182 -1.007 . . . . 1.0 112.034 178.152 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 46.0 mttp -83.0 -29.73 28.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.211 1.005 . . . . 1.0 110.099 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 43.0 t -67.58 -32.99 59.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.353 -1.748 . . . . 1.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -68.86 -31.57 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 70.5 mt -79.47 -35.06 40.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.105 -0.952 . . . . 1.0 111.52 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1840 ' ' ILE . . . . . 0.401 ' C ' ' H ' ' A' 1842 ' ' MET . 79.2 mt -73.99 -38.66 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.556 -0.458 . . . . 1.0 109.805 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -74.58 42.07 0.16 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.728 0.299 . . . . 1.0 110.71 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1842 ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' 1840 ' ' ILE . 41.4 mmm . . . . . 0 N--CA 1.468 0.432 0 CA-C-O 121.0 0.429 . . . . 1.0 110.111 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1852 ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' 1853 ' ' HIS . 18.5 mt . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.648 0.737 . . . . 1.0 112.223 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.627 ' N ' HG22 ' A' 1852 ' ' ILE . 0.8 OUTLIER -87.76 122.39 31.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.516 -1.22 . . . . 1.0 111.027 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 5.4 t -58.83 -45.93 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.596 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 56.0 mt -51.73 -39.15 57.93 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.57 -45.0 66.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.15 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -43.86 93.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.226 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1858 ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' 1862 ' ' THR . 24.9 tp -63.55 -50.11 70.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 1.0 111.152 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.16 -50.72 69.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.732 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -55.23 -36.23 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.395 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.85 -34.13 60.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.511 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1862 ' ' THR . . . . . 0.447 HG23 ' O ' ' A' 1858 ' ' LEU . 28.8 p -68.84 -33.21 73.43 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.545 -0.462 . . . . 1.0 109.935 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 59.1 mttm -79.48 -45.18 19.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.043 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -50.92 -41.31 58.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.288 0.566 . . . . 1.0 111.247 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' 1865 ' ' VAL . 61.8 t . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.726 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 71.3 p . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.3 0.571 . . . . 1.0 112.137 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.95 -23.23 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.238 -0.892 . . . . 1.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -48.95 -31.1 6.81 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.274 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.75 -42.81 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.148 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.75 -50.08 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.185 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.83 -50.24 51.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.852 0.358 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 33.3 ttp -52.35 -35.39 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.036 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.92 -39.2 93.83 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -70.68 -32.78 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.84 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.39 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.8 t -74.06 -38.33 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 119.714 -0.794 . . . . 1.0 109.193 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -55.13 -43.03 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.143 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.09 -28.71 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.251 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -69.29 -36.02 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.338 0.589 . . . . 1.0 112.448 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -95.57 -8.17 35.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.249 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1806 ' ' ASP . . . . . 0.436 ' OD2' ' OG1' ' A' 1810 ' ' THR . 19.9 t70 -155.01 87.29 3.32 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.815 -0.354 . . . . 1.0 111.437 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -82.72 -6.09 11.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.188 1.925 . . . . 1.0 111.435 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' 1809 ' ' ALA . 50.1 m-20 -88.48 -7.22 56.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1809 ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 64.24 29.88 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 1.0 110.705 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1810 ' ' THR . . . . . 0.436 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 16.1 p -66.43 -31.44 72.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.893 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 75.36 17.05 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.732 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.42 156.31 44.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.42 148.02 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 118.384 0.538 . . . . 1.0 110.045 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.76 142.45 32.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.841 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.55 -46.08 80.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.429 -0.351 . . . . 1.0 111.282 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.32 -23.49 49.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.985 0.421 . . . . 1.0 110.615 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -104.63 -5.1 21.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.817 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.77 -24.13 64.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -35.46 60.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.401 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1820 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1820 ' ' ASP . 13.1 t0 -70.71 -20.74 62.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' 1825 ' ' LEU . 59.9 t80 -83.71 -47.14 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.451 -1.25 . . . . 1.0 111.494 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.75 -37.76 30.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.069 -0.969 . . . . 1.0 112.765 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.31 2.84 55.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.022 0.439 . . . . 1.0 110.031 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.41 -26.15 26.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.497 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' 1821 ' ' PHE . 88.7 mt -70.74 170.38 12.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.972 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 148.37 40.53 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 108.995 -0.742 . . . . 1.0 108.995 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.458 ' HA ' ' H ' ' A' 1829 ' ' LEU . 73.1 Cg_exo -46.48 147.34 4.28 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.526 1.484 . . . . 1.0 111.703 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -88.76 50.8 0.83 Allowed 'Cis proline' 0 N--CA 1.5 1.896 0 CA-C-N 119.861 0.986 . . . . 1.0 112.403 -0.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.458 ' H ' ' HA ' ' A' 1827 ' ' PRO . 68.5 mt -134.43 -6.25 2.58 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.873 0.368 . . . . 1.0 110.527 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' 1825 ' ' LEU . 17.0 tp -79.37 128.0 32.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.49 HD11 ' NH1' ' A' 1864 ' ' ARG . 65.4 mt -114.16 100.92 11.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 105.401 -2.074 . . . . 1.0 105.401 176.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -65.22 15.05 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.111 0.782 . . . . 1.0 113.111 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1833 ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' 1832 ' ' ALA . 20.4 mttm 52.08 162.81 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 118.875 -1.13 . . . . 1.0 108.903 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -90.12 36.46 5.49 Favored 'Cis proline' 0 C--N 1.31 -1.457 0 C-N-CA 125.089 -0.796 . . . . 1.0 113.039 0.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1835 ' ' ASN . . . . . . . . . . . . . 1.2 m120 -73.4 69.01 1.14 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 118.714 -1.194 . . . . 1.0 110.362 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -79.42 -30.89 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.599 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 39.0 t -57.19 -48.21 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 113.393 -1.731 . . . . 1.0 109.655 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -50.41 -28.85 8.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.159 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.49 -38.12 62.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.212 -0.595 . . . . 1.0 109.79 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.1 mt -73.81 -38.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.237 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -49.55 -33.28 14.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 1.0 110.361 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 22.7 mtm . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.582 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 20.7 mt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.231 0.539 . . . . 1.0 111.881 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.34 122.95 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.136 -0.938 . . . . 1.0 110.487 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -34.18 77.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.414 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 71.0 mt -51.31 -35.38 37.55 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.574 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.16 -41.32 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.787 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.99 -45.38 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 108.774 -0.825 . . . . 1.0 108.774 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1858 ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' 1862 ' ' THR . 23.8 tp -62.93 -48.59 78.28 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 110.711 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1859 ' ' PHE . . . . . 0.414 ' O ' ' OG1' ' A' 1862 ' ' THR . 18.9 t80 -68.84 -37.23 79.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.474 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.42 -38.85 74.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.546 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1861 ' ' PHE . . . . . 0.605 ' CD2' ' NH2' ' A' 1864 ' ' ARG . 3.5 m-85 -75.04 -21.62 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.263 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1862 ' ' THR . . . . . 0.552 HG23 ' O ' ' A' 1858 ' ' LEU . 10.1 p -77.15 -32.33 56.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.03 0.443 . . . . 1.0 110.282 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -78.43 -45.44 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.039 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1864 ' ' ARG . . . . . 0.605 ' NH2' ' CD2' ' A' 1861 ' ' PHE . 9.6 ttm180 -51.66 -40.95 60.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' 1865 ' ' VAL . 4.4 t . . . . . 0 N--CA 1.468 0.425 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.792 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 110.186 -0.302 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.61 -50.95 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 1.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.58 -29.67 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.506 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.31 -43.68 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.677 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -51.3 -49.71 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.3 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -64.94 -43.13 93.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 1.0 110.717 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1797 ' ' MET . . . . . 0.458 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.3 tmm? -60.59 -37.0 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 33.3 t80 -61.2 -41.29 96.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.655 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -73.28 -33.61 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -61.06 -40.02 92.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.0 110.045 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 60.2 t -76.52 -38.16 31.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -56.46 -41.61 76.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.981 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -29.52 64.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.867 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -68.41 -33.57 74.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.483 0.659 . . . . 1.0 112.104 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -96.5 -5.83 38.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.945 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.01 84.0 3.76 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.23 -7.15 12.99 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.341 2.027 . . . . 1.0 111.986 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1808 ' ' ASP . 11.7 t70 -88.47 -3.92 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.064 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.88 27.63 16.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 1.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1810 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1811 ' ' GLN . 3.2 p -67.99 -32.62 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.593 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1811 ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' 1810 ' ' THR . 3.2 tp60 78.6 19.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.835 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1812 ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' 1852 ' ' ILE . 22.5 m-85 -130.05 154.43 47.44 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.59 148.16 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 122.054 -0.404 . . . . 1.0 110.082 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -78.92 137.05 37.45 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.666 0.27 . . . . 1.0 111.511 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 48.1 t80 -54.21 -44.54 71.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.264 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.12 -23.22 33.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.372 . . . . 1.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -108.61 3.87 23.36 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.372 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.92 -23.79 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.474 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1819 ' ' SER . . . . . 0.548 ' C ' ' HZ1' ' A' 1833 ' ' LYS . 4.4 m -75.0 -35.44 62.0 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.974 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 52.2 t0 -68.84 -25.13 64.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.469 ' CZ ' HD21 ' A' 1825 ' ' LEU . 67.9 t80 -81.48 -48.52 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.737 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.3 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 1.0 112.137 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.99 2.06 56.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.954 0.407 . . . . 1.0 110.29 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.56 25.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.857 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.469 HD21 ' CZ ' ' A' 1821 ' ' PHE . 88.8 mt -72.68 168.75 18.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.149 0.5 . . . . 1.0 110.613 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -113.02 147.73 37.87 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.408 -0.815 . . . . 1.0 109.391 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.438 ' HA ' ' H ' ' A' 1829 ' ' LEU . 87.5 Cg_exo -43.6 147.43 1.07 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.449 1.433 . . . . 1.0 111.247 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -89.14 49.83 0.92 Allowed 'Cis proline' 0 N--CA 1.503 2.062 0 CA-C-N 119.773 0.955 . . . . 1.0 112.386 0.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' 1827 ' ' PRO . 20.2 mt -133.62 -5.19 2.88 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.522 0.201 . . . . 1.0 111.139 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' 1825 ' ' LEU . 15.7 tp -80.66 128.78 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.899 0.703 . . . . 1.0 112.899 -177.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.486 ' C ' ' H ' ' A' 1833 ' ' LYS . 57.9 mt -115.74 100.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 105.91 -1.885 . . . . 1.0 105.91 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.593 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -66.02 18.41 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1833 ' ' LYS . . . . . 0.593 ' O ' ' O ' ' A' 1832 ' ' ALA . 0.8 OUTLIER 49.45 165.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 119.434 -0.906 . . . . 1.0 108.889 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -87.71 36.25 4.34 Favored 'Cis proline' 0 N--CA 1.49 1.278 0 CA-C-N 119.95 1.018 . . . . 1.0 112.915 0.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1835 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.29 68.79 2.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 118.871 -1.132 . . . . 1.0 110.168 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.78 -31.2 45.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.241 1.02 . . . . 1.0 110.037 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 11.7 t -57.19 -46.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 113.252 -1.794 . . . . 1.0 109.684 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1838 ' ' GLN . . . . . 0.493 ' O ' ' SD ' ' A' 1842 ' ' MET . 71.3 mt-30 -50.63 -30.14 12.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.689 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.65 -37.1 62.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.851 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1840 ' ' ILE . . . . . 0.41 ' C ' ' H ' ' A' 1842 ' ' MET . 8.0 mm -73.55 -38.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.013 -0.675 . . . . 1.0 109.321 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.28 41.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.533 0.206 . . . . 1.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1842 ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' 1838 ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1852 ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' 1853 ' ' HIS . 3.9 mp . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 121.495 0.664 . . . . 1.0 111.696 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.623 ' N ' HG22 ' A' 1852 ' ' ILE . 2.2 t-80 -84.06 121.14 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.748 -1.114 . . . . 1.0 110.578 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 19.3 t -59.66 -40.74 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.777 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.13 -38.64 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.235 -0.586 . . . . 1.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.49 -42.83 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.17 -44.59 92.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.755 -0.461 . . . . 1.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.72 -50.03 75.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.099 0.476 . . . . 1.0 110.855 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.19 -34.17 77.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.403 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.46 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.207 -0.597 . . . . 1.0 111.083 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1861 ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' 1865 ' ' VAL . 6.9 m-85 -74.77 -21.75 59.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.173 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 98.1 m -80.25 -33.34 37.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.114 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -46.16 17.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -51.47 -41.04 60.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1861 ' ' PHE . 3.1 t . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.001 0.429 . . . . 1.0 110.897 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.908 0.385 . . . . 1.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.53 -32.19 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 24.1 t0 -48.57 -31.4 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 1.0 110.448 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.77 -44.78 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.494 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.74 -48.79 58.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.393 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.63 -52.99 31.69 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.283 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 1.5 ptt? -53.32 -36.29 61.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 1.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 27.6 t80 -62.78 -41.19 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -70.28 -31.01 68.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.852 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.93 -40.36 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.297 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.0 t -77.75 -38.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -53.98 -44.39 70.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.023 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -54.01 -28.21 36.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.553 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 51.8 mttm -70.84 -35.45 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1805 ' ' PHE . . . . . 0.428 ' O ' ' OD1' ' A' 1806 ' ' ASP . 44.9 m-85 -95.57 -7.82 36.77 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1806 ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' 1805 ' ' PHE . 4.8 m-20 -159.94 87.57 1.95 Allowed Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 120.62 -0.432 . . . . 1.0 111.633 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -83.44 -2.24 10.47 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.5 2.133 . . . . 1.0 111.828 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.27 -6.48 56.74 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.245 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.03 29.48 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.236 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.1 p -68.18 -32.52 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1811 ' ' GLN . . . . . 0.425 ' HB2' ' HE2' ' A' 1853 ' ' HIS . 32.9 mt-30 75.02 21.26 2.0 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -128.98 152.55 48.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.1 tt -144.41 145.71 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.37 143.27 35.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.096 -0.642 . . . . 1.0 111.586 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.41 -44.46 76.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.293 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.06 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.202 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.76 -2.23 25.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.643 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.3 tp -68.4 -48.71 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.539 . . . . 1.0 111.251 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.2 m -50.58 -34.54 26.17 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.509 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.69 -60.55 2.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.555 ' CZ ' HD21 ' A' 1825 ' ' LEU . 54.8 t80 -46.44 -43.72 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.98 -36.78 29.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.25 -0.887 . . . . 1.0 111.922 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1823 ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' 1833 ' ' LYS . 1.9 m-20 -95.91 3.04 53.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.235 0.541 . . . . 1.0 110.056 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -87.86 -23.23 24.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.917 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.555 HD21 ' CZ ' ' A' 1821 ' ' PHE . 85.2 mt -72.94 170.54 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.344 0.592 . . . . 1.0 110.736 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.95 154.62 47.04 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.258 -0.883 . . . . 1.0 108.695 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' 1829 ' ' LEU . 12.4 Cg_endo -55.63 148.25 55.25 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.757 1.638 . . . . 1.0 110.637 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.33 48.43 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.924 0 CA-C-N 119.81 0.968 . . . . 1.0 113.057 0.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' 1827 ' ' PRO . 14.3 mt -132.2 -3.68 3.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.258 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.95 123.31 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.483 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.569 HG22 ' OD1' ' A' 1835 ' ' ASN . 20.7 mt -115.73 106.98 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 N-CA-C 107.623 -1.251 . . . . 1.0 107.623 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -57.16 149.56 19.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.177 0.513 . . . . 1.0 111.524 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1833 ' ' LYS . . . . . 0.488 ' N ' ' OD2' ' A' 1823 ' ' ASP . 8.7 ptmm? -102.22 152.56 38.29 Favored Pre-proline 0 N--CA 1.462 0.167 0 N-CA-C 108.731 -0.84 . . . . 1.0 108.731 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.94 128.07 15.65 Favored 'Cis proline' 0 N--CA 1.505 2.171 0 CA-C-N 119.876 0.991 . . . . 1.0 113.363 0.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.629 ' C ' HD22 ' A' 1835 ' ' ASN . 0.2 OUTLIER -144.24 65.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.163 -1.015 . . . . 1.0 111.37 176.686 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -83.5 -32.05 26.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.847 0.832 . . . . 1.0 110.66 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.5 t -69.25 -31.92 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.114 -1.403 . . . . 1.0 110.685 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1838 ' ' GLN . . . . . 0.472 ' O ' ' SD ' ' A' 1842 ' ' MET . 18.7 mm100 -68.94 -31.39 70.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.283 0.563 . . . . 1.0 109.528 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 85.3 mt -79.29 -33.71 43.08 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.245 -0.889 . . . . 1.0 111.123 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 74.2 mt -73.15 -41.52 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.459 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -77.73 43.37 0.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.209 0.528 . . . . 1.0 110.346 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1842 ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' 1838 ' ' GLN . 79.5 mtp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.544 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1852 ' ' ILE . . . . . 0.42 HD13 HG21 ' A' 1852 ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.425 ' HE2' ' HB2' ' A' 1811 ' ' GLN . 16.4 t-80 -104.2 151.61 23.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.372 0.606 . . . . 1.0 110.766 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.0 t -55.39 -31.15 61.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.158 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 73.3 mt -72.33 -35.34 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.649 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.52 -41.53 69.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.0 110.325 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.31 -41.08 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.593 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.28 -49.88 73.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.167 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.4 t80 -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.732 0.271 . . . . 1.0 111.732 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.0 110.886 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.35 -22.54 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.839 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.8 m -79.19 -33.88 43.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.244 -0.651 . . . . 1.0 109.244 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -73.96 -48.61 29.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.232 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.83 -41.67 64.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.167 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' 1865 ' ' VAL . 93.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.846 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1791 ' ' SER . . . . . 0.464 ' O ' ' OD2' ' A' 1794 ' ' ASP . 70.1 p . . . . . 0 N--CA 1.468 0.425 0 CA-C-O 120.935 0.397 . . . . 1.0 110.123 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -42.97 -37.9 2.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.216 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 47.5 t0 -48.39 -34.47 10.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.471 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1794 ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' 1795 ' ' PHE . 0.6 OUTLIER -70.85 -43.95 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.688 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1795 ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' 1794 ' ' ASP . 8.9 m-85 -50.95 -47.74 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.796 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -68.91 -53.02 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 4.2 ptt? -54.26 -35.52 62.61 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.915 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 35.7 t80 -64.38 -40.06 95.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.519 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.54 -30.78 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.25 -43.34 99.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.5 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 19.5 t -74.36 -38.15 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.913 -0.773 . . . . 1.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -56.52 -42.59 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.951 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.92 -27.57 61.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.494 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.34 -34.15 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.404 0.621 . . . . 1.0 112.297 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -98.13 -5.52 33.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.013 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -155.36 83.84 3.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.954 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.05 -6.37 12.17 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.284 1.989 . . . . 1.0 111.974 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1808 ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' 1808 ' ' ASP . 4.6 m-20 -88.87 -6.96 56.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.317 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1809 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 63.77 29.53 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 1.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 4.4 p -68.65 -31.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1811 ' ' GLN . . . . . 0.49 ' O ' ' SG ' ' A' 1854 ' ' CYS . 9.2 mt-30 77.26 20.16 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.682 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -131.46 155.09 47.96 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.168 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.37 147.28 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 109.744 -0.465 . . . . 1.0 109.744 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.41 142.78 32.66 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.537 -0.465 . . . . 1.0 111.088 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.54 -44.64 81.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.04 36.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 1.0 110.815 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 48.4 mttm -107.25 -0.39 22.62 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.008 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.8 tp -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.574 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 t -73.53 -35.5 65.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.369 -0.532 . . . . 1.0 110.348 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.45 -24.85 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1821 ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' 1825 ' ' LEU . 60.9 t80 -81.61 -48.2 12.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.505 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.76 26.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.507 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 11.7 p30 -92.96 1.32 57.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.956 0.408 . . . . 1.0 110.053 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.85 -24.72 24.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.501 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1825 ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' 1821 ' ' PHE . 95.3 mt -71.34 172.64 9.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.245 0.545 . . . . 1.0 110.866 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1826 ' ' ASP . . . . . 0.49 ' N ' ' OD1' ' A' 1826 ' ' ASP . 0.0 OUTLIER -115.98 156.28 46.9 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 108.493 -0.929 . . . . 1.0 108.493 178.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1827 ' ' PRO . . . . . 0.468 ' HA ' ' H ' ' A' 1829 ' ' LEU . 18.0 Cg_endo -59.17 147.88 88.45 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.078 1.852 . . . . 1.0 110.646 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -88.55 50.2 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.944 0 CA-C-N 119.715 0.934 . . . . 1.0 113.136 0.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1829 ' ' LEU . . . . . 0.468 ' H ' ' HA ' ' A' 1827 ' ' PRO . 6.2 mt -133.35 -6.55 2.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.856 0.36 . . . . 1.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1830 ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' 1831 ' ' ILE . 10.8 tp -76.82 126.79 31.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.574 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1831 ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' 1830 ' ' LEU . 92.3 mt -116.96 105.0 17.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1832 ' ' ALA . . . . . 0.513 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -103.07 113.99 27.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.179 0.99 . . . . 1.0 110.619 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1833 ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' 1832 ' ' ALA . 1.1 mttp -32.16 157.98 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 112.461 -2.154 . . . . 1.0 110.385 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.52 90.02 0.12 OUTLIER 'Cis proline' 0 N--CA 1.495 1.601 0 N-CA-C 115.528 1.318 . . . . 1.0 115.528 1.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1835 ' ' ASN . . . . . 0.512 ' H ' ' HA ' ' A' 1833 ' ' LYS . 0.9 OUTLIER -144.84 64.3 1.29 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.575 0.702 . . . . 1.0 109.54 175.431 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -84.5 -35.5 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.674 -1.148 . . . . 1.0 111.634 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1837 ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' 1837 ' ' VAL . 7.8 t -52.23 -49.07 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 114.112 -1.404 . . . . 1.0 110.378 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1838 ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' 1838 ' ' GLN . 4.5 mp0 -48.61 -32.53 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.241 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.45 -42.33 87.77 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.24 -37.2 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.95 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.279 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 4.1 mtp . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.68 0.276 . . . . 1.0 110.824 179.783 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 1852 ' ' ILE . . . . . 0.587 HG22 ' N ' ' A' 1853 ' ' HIS . 39.8 mt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.238 0.458 . . . . 1.0 112.238 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1853 ' ' HIS . . . . . 0.587 ' N ' HG22 ' A' 1852 ' ' ILE . 2.8 t-80 -103.62 121.77 43.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.326 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1854 ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' 1811 ' ' GLN . 6.2 p -57.51 -46.44 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.704 -0.225 . . . . 1.0 110.768 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 24.4 mt -51.42 -38.51 53.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.813 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.63 -46.77 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.065 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.4 mt -57.95 -44.6 87.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1858 ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' 1862 ' ' THR . 24.5 tp -64.08 -50.04 69.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 1.0 110.978 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -68.52 -36.36 78.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.779 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.47 -39.44 74.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.411 -0.515 . . . . 1.0 111.063 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1861 ' ' PHE . . . . . 0.491 ' O ' HG22 ' A' 1865 ' ' VAL . 5.2 m-85 -73.7 -22.35 59.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.078 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1862 ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' 1858 ' ' LEU . 24.9 m -79.31 -32.0 43.36 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.098 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -77.64 -44.21 28.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.828 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -52.54 -40.94 63.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.463 0.649 . . . . 1.0 111.256 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1865 ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' 1861 ' ' PHE . 27.6 m . . . . . 0 CA--C 1.538 0.506 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.47 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.82 0.343 . . . . 1.0 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1778 ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' 1780 ' ' SER . 63.4 t30 51.08 -177.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.584 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1779 ' ' PHE . . . . . 0.475 ' H ' ' CG ' ' A' 1778 ' ' ASN . 32.7 t80 60.79 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' 1778 ' ' ASN . 19.9 m -77.95 54.91 1.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.445 ' H ' HG22 ' A' 1781 ' ' VAL . 4.0 m -88.72 19.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.132 0.491 . . . . 1.0 110.547 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.11 20.67 1.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.645 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 14.5 t -105.43 -32.82 8.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.291 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.57 130.41 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.123 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 65.5 47.02 2.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 13.8 t -86.54 40.34 0.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.872 0.368 . . . . 1.0 110.478 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -177.17 147.47 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.46 144.3 61.29 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.342 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -38.79 -49.68 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.258 1.972 . . . . 1.0 112.789 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1790 ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' 1790 ' ' LEU . 2.9 tt -80.9 96.76 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.862 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1791 ' ' SER . . . . . 0.525 ' N ' ' OD2' ' A' 1794 ' ' ASP . 24.2 t -107.08 179.25 4.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.539 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1792 ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' 1792 ' ' GLU . 2.9 mp0 -60.24 -36.66 78.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -48.43 -28.07 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1794 ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' 1791 ' ' SER . 8.4 m-20 -78.49 -43.01 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.425 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -51.6 -50.18 60.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.639 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.24 -44.15 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.74 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1797 ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' 1797 ' ' MET . 15.6 tmm? -58.28 -35.95 72.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.442 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.7 t80 -61.84 -41.09 97.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -69.62 -31.88 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.49 -43.51 96.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.412 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 18.6 t -76.33 -38.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 119.966 -0.694 . . . . 1.0 109.257 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -54.19 -43.27 70.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.554 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.33 -30.04 59.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.735 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 48.8 mttm -69.83 -34.98 74.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.392 0.615 . . . . 1.0 112.421 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -95.95 -7.79 35.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.003 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -159.01 87.67 2.18 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.527 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.79 -2.58 10.96 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.388 2.059 . . . . 1.0 111.484 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -87.39 -8.56 56.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.326 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.29 29.11 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.301 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1810 ' ' THR . . . . . 0.455 HG23 ' H ' ' A' 1812 ' ' PHE . 1.3 t -68.29 -31.93 71.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.122 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 74.67 20.28 2.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.294 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1812 ' ' PHE . . . . . 0.455 ' H ' HG23 ' A' 1810 ' ' THR . 78.5 m-85 -130.76 153.62 48.84 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.16 148.18 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 118.852 0.751 . . . . 1.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.88 143.43 31.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1815 ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' 1815 ' ' PHE . 25.3 t80 -58.48 -44.28 89.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.676 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.67 35.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.41 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -104.16 -4.05 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.001 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.0 tp -68.43 -49.18 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.199 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.2 p -50.11 -34.21 21.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.117 -0.633 . . . . 1.0 110.273 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1820 ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' 1820 ' ' ASP . 0.5 OUTLIER -71.75 -60.71 2.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' 1825 ' ' LEU . 59.8 t80 -46.86 -44.93 19.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.633 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.17 21.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.24 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1823 ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' A' 1833 ' ' LYS . 1.1 p30 -96.45 4.67 51.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.371 0.605 . . . . 1.0 109.964 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -88.82 -22.71 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.907 -1.042 . . . . 1.0 110.287 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' 1821 ' ' PHE . 90.7 mt -72.76 168.05 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.189 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -114.0 150.31 43.32 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.023 -0.732 . . . . 1.0 109.023 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.41 ' HA ' ' H ' ' A' 1829 ' ' LEU . 71.4 Cg_exo -47.35 148.19 5.25 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 120.939 1.092 . . . . 1.0 110.867 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -88.29 46.76 1.1 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.9 1.0 . . . . 1.0 112.357 -0.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.41 ' H ' ' HA ' ' A' 1827 ' ' PRO . 20.0 mt -132.17 -3.3 3.51 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.94 0.4 . . . . 1.0 110.704 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' 1831 ' ' ILE . 16.6 tp -80.9 124.05 28.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 1.0 112.399 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' 1830 ' ' LEU . 64.7 mt -113.91 104.89 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 106.797 -1.557 . . . . 1.0 106.797 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.552 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.8 151.41 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 1.0 111.661 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1833 ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' A' 1823 ' ' ASP . 0.0 OUTLIER -89.66 160.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 107.048 -1.464 . . . . 1.0 107.048 177.34 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1834 ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1836 ' ' LYS . 40.2 Cg_endo -88.77 38.56 3.48 Favored 'Cis proline' 0 N--CA 1.496 1.661 0 C-N-CA 124.822 -0.907 . . . . 1.0 114.111 1.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' 1832 ' ' ALA . 74.5 m-20 -67.91 69.68 0.13 Allowed 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.884 -1.126 . . . . 1.0 111.261 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1836 ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' 1834 ' ' PRO . 3.2 ttmp? -80.32 -33.65 37.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.227 -0.897 . . . . 1.0 111.188 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 24.3 t -60.93 -48.85 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.232 -1.349 . . . . 1.0 110.034 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -49.81 -25.61 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.022 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 15.4 mt -77.11 -36.48 55.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.517 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.94 -40.31 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.24 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.515 0.326 . . . . 1.0 110.798 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.808 ' SD ' HD11 ' A' 1844 ' ' LEU . 3.2 ppp? -113.96 34.13 4.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.623 0.249 . . . . 1.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -37.21 115.47 0.39 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.025 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.934 ' H ' HD12 ' A' 1844 ' ' LEU . 0.4 OUTLIER -90.73 137.31 27.07 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.978 -179.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1845 ' ' PRO . . . . . 0.411 ' C ' ' O ' ' A' 1844 ' ' LEU . 65.8 Cg_exo -37.4 129.97 0.67 Allowed 'Trans proline' 0 N--CA 1.486 1.087 0 C-N-CA 121.906 1.737 . . . . 1.0 111.277 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 18.9 mtt -105.72 131.74 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 1.0 111.226 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -87.14 -175.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.707 -1.219 . . . . 1.0 107.707 178.56 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' 1850 ' ' ASP . 0.1 OUTLIER 3.3 114.84 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.303 1.002 . . . . 1.0 112.739 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 6.59 -48.24 0.0 OUTLIER Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.028 1.171 . . . . 1.0 116.028 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.807 ' N ' ' O ' ' A' 1848 ' ' SER . 24.8 t70 -135.39 66.97 1.5 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.937 0.868 . . . . 1.0 111.368 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' 1847 ' ' VAL . 11.9 ttp180 -168.68 138.44 2.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 120.384 -0.526 . . . . 1.0 111.666 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 13.9 mt -109.8 147.88 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.517 0.675 . . . . 1.0 112.31 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -83.68 125.41 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.514 -1.221 . . . . 1.0 112.249 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 52.6 t -60.62 -43.76 97.12 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.248 -0.181 . . . . 1.0 110.617 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.88 -36.61 62.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.063 -0.655 . . . . 1.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.92 -45.09 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.202 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.57 -44.27 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.25 -49.31 76.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.432 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -51.63 64.17 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.437 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -53.99 -35.47 61.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.049 -0.661 . . . . 1.0 110.756 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.29 -26.92 60.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.568 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.6 p -77.13 -35.65 56.07 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' 1867 ' ' GLY . 48.0 mtmt -73.75 -49.05 27.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.324 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 50.0 ttt180 -52.58 -41.55 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.428 0.632 . . . . 1.0 111.629 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1865 ' ' VAL . 87.7 t -81.24 -15.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.942 -1.026 . . . . 1.0 110.94 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1866 ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' 1868 ' ' GLU . 47.8 tp -104.29 -15.49 15.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.671 0.272 . . . . 1.0 111.106 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1867 ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -75.57 20.0 2.35 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.716 -0.754 . . . . 1.0 111.286 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1868 ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' 1866 ' ' LEU . 38.3 mt-10 -81.54 -69.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.021 0.439 . . . . 1.0 110.467 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 53.4 p -154.2 59.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1870 ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' 1872 ' ' MET . . . -178.53 132.0 1.84 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 6.1 tp10 65.56 -4.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.931 0.396 . . . . 1.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1872 ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' 1870 ' ' GLY . 11.0 ptm -72.49 -17.01 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.585 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.57 -25.5 45.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -47.13 -29.77 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1875 ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' 1875 ' ' LEU . 5.2 mp -79.73 -33.43 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.652 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -62.35 -19.79 63.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.599 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 11.8 mm -77.7 -20.55 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.441 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.64 -28.49 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 87.3 mtp -48.7 -56.4 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' 1880 ' ' GLU . 4.1 mp0 -55.36 -38.6 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.469 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' 1880 ' ' GLU . 44.4 tt0 59.17 148.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.628 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.555 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.798 0.332 . . . . 1.0 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -156.79 16.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.732 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -87.23 -25.25 24.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.477 ' C ' ' H ' ' A' 1782 ' ' ALA . 6.1 p 179.27 84.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' 1781 ' ' VAL . 9.3 p -65.44 0.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.453 0.644 . . . . 1.0 110.395 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' 1780 ' ' SER . . . 39.27 71.45 0.17 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.062 -0.972 . . . . 1.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -48.06 7.32 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.88 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.52 -25.82 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 22.7 t -79.02 51.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -177.33 71.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.588 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1788 ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' 1788 ' ' GLU . 2.1 pm0 -94.35 152.94 40.52 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.999 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.57 -71.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.313 2.009 . . . . 1.0 112.061 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.25 115.38 30.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.346 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 57.9 m -101.04 173.84 6.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.76 -30.51 63.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.38 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.43 -29.09 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.627 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.73 -43.37 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -50.8 -49.18 59.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.985 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.86 -48.9 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1797 ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' 1797 ' ' MET . 17.5 tmm? -55.58 -36.6 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.473 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1798 ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.4 t80 -61.92 -42.33 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.476 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.56 -31.89 69.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 1.0 110.042 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.55 -40.93 88.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.153 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 26.3 t -78.06 -38.97 24.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -54.6 -42.97 71.76 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.108 -0.637 . . . . 1.0 110.715 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -55.33 -29.92 59.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.494 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -68.1 -35.3 77.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.369 0.604 . . . . 1.0 112.422 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -96.48 -6.75 36.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.842 -1.072 . . . . 1.0 111.297 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -157.11 86.01 2.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.29 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -82.5 -5.01 11.73 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.279 1.986 . . . . 1.0 111.848 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.68 -4.91 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.182 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.59 28.41 16.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 2.8 p -68.54 -31.56 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.229 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 73.64 22.15 2.66 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.998 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -130.56 152.93 49.4 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.46 146.27 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.77 0.714 . . . . 1.0 109.714 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.33 144.27 30.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -58.14 -43.96 87.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.971 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -53.58 -25.32 16.76 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.315 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.1 3.7 22.25 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.432 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.1 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.218 -0.593 . . . . 1.0 109.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.1 p -66.63 -34.85 78.78 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.6 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.63 -24.02 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' 1825 ' ' LEU . 51.6 t80 -82.3 -47.73 12.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.902 -1.044 . . . . 1.0 111.066 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.82 31.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.352 -0.84 . . . . 1.0 112.55 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1823 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1823 ' ' ASP . 7.6 t0 -94.28 2.41 55.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.028 0.442 . . . . 1.0 110.136 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.64 26.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.086 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' 1821 ' ' PHE . 84.2 mt -72.53 168.92 17.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 1.0 110.804 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -115.14 149.99 43.56 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.477 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.434 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.3 Cg_exo -45.25 148.42 1.9 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.448 1.432 . . . . 1.0 111.518 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -89.55 49.49 0.98 Allowed 'Cis proline' 0 N--CA 1.5 1.887 0 CA-C-N 119.777 0.956 . . . . 1.0 111.99 -0.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.434 ' H ' ' HA ' ' A' 1827 ' ' PRO . 95.9 mt -132.22 -2.84 3.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.214 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 19.9 tp -82.37 122.85 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 1.0 112.357 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.764 ' CG2' HD21 ' A' 1835 ' ' ASN . 16.0 mt -112.31 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.01 152.38 16.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.141 0.496 . . . . 1.0 112.113 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 32.1 mttm -96.01 156.82 36.71 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 108.787 -0.82 . . . . 1.0 108.787 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.06 118.45 5.78 Favored 'Cis proline' 0 N--CA 1.499 1.837 0 C-N-CA 124.294 -1.128 . . . . 1.0 112.647 0.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.764 HD21 ' CG2' ' A' 1831 ' ' ILE . 21.6 p-10 -138.73 67.11 1.41 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.889 -0.724 . . . . 1.0 111.447 178.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -83.8 -34.49 24.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.077 0.942 . . . . 1.0 110.507 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 12.1 t -63.62 -47.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 113.634 -1.621 . . . . 1.0 110.165 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -50.34 -26.28 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.193 -0.603 . . . . 1.0 109.552 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.68 -35.6 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.114 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 77.5 mt -74.75 -41.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.386 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.18 -28.19 64.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.416 -0.178 . . . . 1.0 110.765 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' 1843 ' ' ASP . 32.4 ttp -112.97 35.33 3.96 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1843 ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' 1842 ' ' MET . 42.0 t0 -33.08 106.48 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.224 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' 1844 ' ' LEU . 5.3 mp -80.43 132.7 58.1 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.516 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -40.21 126.66 2.03 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.716 1.611 . . . . 1.0 111.292 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 22.8 mtt -103.14 133.27 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 1.0 110.868 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' 1851 ' ' ARG . 0.0 OUTLIER -89.89 -176.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.678 -0.86 . . . . 1.0 108.678 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' 1850 ' ' ASP . 7.0 t 2.94 112.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.301 1.0 . . . . 1.0 112.749 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 15.22 -54.58 0.0 OUTLIER Glycine 0 CA--C 1.541 1.71 0 O-C-N 124.491 1.119 . . . . 1.0 115.713 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.809 ' N ' ' O ' ' A' 1848 ' ' SER . 16.3 t0 -134.41 70.08 1.45 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 117.312 0.556 . . . . 1.0 111.877 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' 1847 ' ' VAL . 34.3 mtm180 -165.17 134.65 3.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.834 0.35 . . . . 1.0 111.775 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.22 142.35 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.569 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -82.81 123.76 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 1.0 111.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 29.7 t -63.34 -35.76 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.478 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.45 -39.43 79.84 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.236 -0.586 . . . . 1.0 109.484 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.44 -44.75 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.267 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.07 -44.97 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.59 -49.69 74.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 1.0 111.387 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 18.0 t80 -70.12 -36.3 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.33 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.956 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1861 ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' 1865 ' ' VAL . 4.8 m-85 -75.19 -21.52 58.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.94 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.7 m -77.63 -32.95 53.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.0 0.428 . . . . 1.0 110.277 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -79.17 -46.04 18.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -51.02 -41.44 59.81 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.5 0.556 . . . . 1.0 112.5 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 1861 ' ' PHE . 3.3 t -38.69 -48.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.872 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1866 ' ' LEU . . . . . 0.425 ' H ' HD12 ' A' 1866 ' ' LEU . 3.4 mp -93.43 -41.39 9.84 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.147 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . 36.73 43.85 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.541 -0.623 . . . . 1.0 111.541 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -155.73 66.64 0.61 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1869 ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' 1870 ' ' GLY . 4.8 t 64.29 29.92 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.216 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1870 ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' 1872 ' ' MET . . . -42.19 -96.15 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 53.18 9.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 1.0 110.505 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1872 ' ' MET . . . . . 0.469 ' H ' ' C ' ' A' 1870 ' ' GLY . 37.1 tpp -78.22 -28.94 48.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.65 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.59 -15.15 60.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.721 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -78.84 -34.38 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.599 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1875 ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' 1875 ' ' LEU . 6.5 mp -80.31 -29.0 38.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.487 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1876 ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' 1878 ' ' GLN . 1.1 mmp_? -92.95 14.09 18.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.24 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 8.1 tp -63.37 1.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.393 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1878 ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' 1876 ' ' ARG . 34.3 tp60 69.36 27.75 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.029 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1879 ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' 1879 ' ' MET . 2.5 mpp? 41.74 27.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.772 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -12.93 5.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.519 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.14 50.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.552 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.607 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1777 ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' 1777 ' ' GLU . 23.1 mp0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.695 0.283 . . . . 1.0 110.672 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1778 ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' 1777 ' ' GLU . 8.5 m120 56.71 112.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.03 -162.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.554 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' 1782 ' ' ALA . 5.9 m -161.57 44.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.505 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.452 ' H ' HG22 ' A' 1781 ' ' VAL . 3.8 m -77.0 21.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.187 0.518 . . . . 1.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' 1780 ' ' SER . . . -80.24 55.55 2.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.24 125.22 22.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.111 0.482 . . . . 1.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.09 -16.44 61.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.54 -11.92 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.617 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 38.6 t -78.1 64.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.623 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -76.2 99.21 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -144.56 152.27 52.62 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.957 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -71.65 -55.08 0.13 Allowed 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.08 1.853 . . . . 1.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1790 ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' 1790 ' ' LEU . 2.5 tt -85.78 95.38 9.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.238 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 41.8 m -102.36 179.17 4.38 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.99 -32.48 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.626 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1793 ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' 1794 ' ' ASP . 28.4 p-10 -48.36 -28.83 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.469 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1794 ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.0 m-20 -78.13 -42.99 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.458 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -51.26 -49.85 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.235 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.85 -51.06 52.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 38.7 ttp -52.64 -35.36 54.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.6 -39.9 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.448 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -70.39 -31.51 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.026 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -60.51 -45.57 93.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 1.0 110.275 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.6 t -72.48 -38.74 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 119.842 -0.743 . . . . 1.0 109.211 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.13 -42.14 76.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.383 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -56.72 -28.58 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.461 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 53.1 mttm -68.62 -34.65 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 1.0 112.359 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -98.05 -4.76 35.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.089 -0.96 . . . . 1.0 111.093 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 38.0 t0 -154.75 82.82 4.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.58 -7.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.214 1.943 . . . . 1.0 111.882 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.86 -4.92 58.82 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.262 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.43 26.78 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 13.7 p -66.38 -31.31 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 75.7 20.53 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.648 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -130.76 155.9 45.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.081 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.43 147.16 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -80.35 141.02 35.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.793 0.33 . . . . 1.0 111.161 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.99 -45.22 79.05 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.397 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.28 -23.81 38.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 1.0 110.726 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -107.28 0.38 23.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.103 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.67 -24.67 63.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.85 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1819 ' ' SER . . . . . 0.503 ' OG ' ' NZ ' ' A' 1836 ' ' LYS . 60.9 m -74.43 -34.93 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 58.0 t0 -68.97 -22.5 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.52 ' CZ ' HD21 ' A' 1825 ' ' LEU . 56.8 t80 -82.81 -47.39 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.666 -1.152 . . . . 1.0 111.02 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.77 34.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.578 -0.737 . . . . 1.0 112.539 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -93.72 1.95 56.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.926 0.393 . . . . 1.0 110.137 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.77 -26.36 27.62 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.145 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.52 HD21 ' CZ ' ' A' 1821 ' ' PHE . 79.0 mt -72.67 164.72 26.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.127 0.489 . . . . 1.0 110.7 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1826 ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.1 OUTLIER -110.71 152.56 43.55 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.07 178.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.408 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.4 Cg_exo -46.46 146.83 4.69 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.035 1.157 . . . . 1.0 110.81 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -88.77 47.33 1.09 Allowed 'Cis proline' 0 N--CA 1.502 2.004 0 CA-C-N 120.011 1.04 . . . . 1.0 112.078 0.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.408 ' H ' ' HA ' ' A' 1827 ' ' PRO . 80.1 mt -131.79 -3.06 3.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.912 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.4 tp -81.56 122.64 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.509 . . . . 1.0 112.167 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.459 ' CG2' ' ND2' ' A' 1835 ' ' ASN . 67.7 mt -115.27 106.45 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 107.663 -1.236 . . . . 1.0 107.663 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.92 150.73 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.651 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.23 159.27 30.56 Favored Pre-proline 0 N--CA 1.464 0.236 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.49 121.16 7.76 Favored 'Cis proline' 0 N--CA 1.502 2.028 0 C-N-CA 124.41 -1.079 . . . . 1.0 112.416 0.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.459 ' ND2' ' CG2' ' A' 1831 ' ' ILE . 15.6 p-10 -138.09 67.56 1.41 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.332 -0.947 . . . . 1.0 112.327 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1836 ' ' LYS . . . . . 0.503 ' NZ ' ' OG ' ' A' 1819 ' ' SER . 15.1 tptt -82.95 -32.73 26.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.955 0.883 . . . . 1.0 110.132 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.2 t -68.4 -31.42 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 113.702 -1.59 . . . . 1.0 110.268 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -67.1 -30.1 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 1.0 109.228 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -79.83 -33.63 40.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.648 -1.16 . . . . 1.0 111.333 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1840 ' ' ILE . . . . . 0.461 ' C ' ' H ' ' A' 1842 ' ' MET . 85.9 mt -74.49 -41.47 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 120.593 -0.443 . . . . 1.0 110.564 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -71.77 40.01 0.07 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.154 -0.341 . . . . 1.0 111.157 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.762 ' SD ' HD11 ' A' 1844 ' ' LEU . 1.9 ppp? -177.21 27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 1.0 109.831 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -34.92 122.83 0.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.182 -0.917 . . . . 1.0 111.24 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.762 HD11 ' SD ' ' A' 1842 ' ' MET . 1.6 mp -95.89 141.3 22.97 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.768 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.23 131.21 3.28 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.598 1.532 . . . . 1.0 111.183 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1846 ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' 1844 ' ' LEU . 3.3 mmt -105.58 130.72 53.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.194 0.521 . . . . 1.0 111.205 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.509 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -88.49 -176.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.434 -0.803 . . . . 1.0 108.87 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' 1850 ' ' ASP . 2.3 p 2.94 112.31 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.423 1.077 . . . . 1.0 112.805 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 11.06 -51.84 0.0 OUTLIER Glycine 0 CA--C 1.543 1.828 0 N-CA-C 116.565 1.386 . . . . 1.0 116.565 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.767 ' N ' ' O ' ' A' 1848 ' ' SER . 23.1 m-20 -131.28 63.35 1.6 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.892 0.846 . . . . 1.0 112.216 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' 1847 ' ' VAL . 40.8 ttp180 -168.62 143.09 3.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.818 -0.753 . . . . 1.0 112.569 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1852 ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' 1853 ' ' HIS . 11.0 mt -105.13 165.46 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 116.043 -0.526 . . . . 1.0 112.29 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.494 ' N ' HG22 ' A' 1852 ' ' ILE . 2.5 t-80 -103.8 122.63 45.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.065 -0.971 . . . . 1.0 111.045 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 8.3 t -61.85 -43.51 98.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.934 -0.121 . . . . 1.0 111.139 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.58 -37.8 51.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.5 -44.89 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -46.08 85.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.528 -0.305 . . . . 1.0 110.588 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.45 -50.36 74.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.119 0.485 . . . . 1.0 111.102 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.93 -34.03 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.682 -0.69 . . . . 1.0 111.572 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.92 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.926 -0.71 . . . . 1.0 111.265 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -75.11 -26.14 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.734 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.2 m -74.08 -34.26 63.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.042 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' 1867 ' ' GLY . 6.6 ttpm? -77.83 -45.82 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.4 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -51.78 -41.64 61.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.276 0.56 . . . . 1.0 111.458 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' 1865 ' ' VAL . 94.3 t -80.36 -14.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.099 -0.955 . . . . 1.0 110.682 178.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.9 tp -102.89 -10.69 18.83 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.978 0.418 . . . . 1.0 110.62 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1867 ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -55.82 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1868 ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' 1868 ' ' GLU . 19.5 mp0 -73.31 66.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 44.6 t -172.62 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.724 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -82.71 160.37 39.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 1.0 111.186 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.15 -5.67 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 1.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 5.2 mmt -54.62 -30.44 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.411 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -58.87 -15.56 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.14 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.76 -17.05 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.64 -30.65 61.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1877 ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' 1879 ' ' MET . 63.5 mt -66.0 -76.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.592 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -50.49 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.741 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1879 ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' 1877 ' ' ILE . 13.4 tpt -159.38 84.42 0.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.516 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 59.57 5.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -57.14 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.62 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.798 0.332 . . . . 1.0 110.559 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -154.49 38.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 38.1 p90 -170.32 25.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' 1781 ' ' VAL . 43.8 t -57.59 -164.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.49 ' O ' HG22 ' A' 1781 ' ' VAL . 11.9 p -64.42 -5.18 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.434 0.635 . . . . 1.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 46.91 -135.74 0.88 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.421 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1783 ' ' THR . . . . . 0.437 HG23 ' N ' ' A' 1784 ' ' GLU . 14.3 t -110.3 -37.4 5.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.322 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1784 ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' 1786 ' ' SER . 12.8 mm-40 55.8 -119.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.616 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 52.79 -85.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.393 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1786 ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' 1784 ' ' GLU . 19.7 t -87.4 72.01 9.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.48 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -156.9 179.17 9.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.575 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.83 149.25 77.08 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.274 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.35 -8.56 22.89 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.12 1.88 . . . . 1.0 111.854 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.33 151.01 20.05 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.113 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 7.4 t -124.51 150.35 45.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.526 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1792 ' ' GLU . . . . . 0.586 ' CD ' ' H ' ' A' 1792 ' ' GLU . 5.1 mp0 -70.16 -38.64 75.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 1.0 110.255 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -48.45 -28.55 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.1 -45.8 46.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.428 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -50.12 -48.87 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.051 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.59 -52.43 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -37.35 69.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.506 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1798 ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.8 t80 -62.65 -42.38 99.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.76 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -71.61 -31.19 66.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.45 -41.65 97.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.147 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 42.3 t -74.76 -38.81 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -58.85 -39.64 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.628 -0.829 . . . . 1.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.33 -30.76 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.458 . . . . 1.0 112.235 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -68.7 -27.33 65.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.54 0.686 . . . . 1.0 110.692 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -67.07 -73.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.791 -1.095 . . . . 1.0 111.353 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.41 115.94 33.85 Favored Pre-proline 0 CA--C 1.54 0.582 0 O-C-N 122.365 -0.209 . . . . 1.0 110.578 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -80.84 6.44 5.52 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.081 1.854 . . . . 1.0 112.057 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' 1809 ' ' ALA . 59.7 m-20 -81.06 -18.95 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.168 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1809 ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 70.89 27.31 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 1.0 110.237 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1810 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1811 ' ' GLN . 12.3 p -67.37 -32.91 74.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.674 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1811 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 1810 ' ' THR . 1.6 tp-100 78.94 18.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -127.59 154.91 44.64 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.709 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1813 ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' 1851 ' ' ARG . 13.2 tt -140.49 147.05 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -78.23 135.09 37.52 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.482 0.549 . . . . 1.0 112.482 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.92 -44.42 66.98 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.996 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.73 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.089 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -112.03 6.7 19.46 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.418 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.42 -29.34 67.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.829 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.4 p -67.56 -34.67 77.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.62 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.89 -26.11 65.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.496 ' CZ ' HD21 ' A' 1825 ' ' LEU . 63.5 t80 -79.58 -48.65 13.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.623 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.3 -37.34 35.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.237 -0.892 . . . . 1.0 112.099 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.73 1.2 56.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.884 0.373 . . . . 1.0 110.486 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.88 -24.15 24.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.146 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' 1821 ' ' PHE . 86.7 mt -75.03 166.71 23.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.663 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.99 150.02 41.76 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.154 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.422 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.6 Cg_exo -45.92 148.9 2.45 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.247 1.298 . . . . 1.0 111.021 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -88.23 47.28 1.03 Allowed 'Cis proline' 0 N--CA 1.5 1.876 0 CA-C-N 119.72 0.936 . . . . 1.0 112.188 -0.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.422 ' H ' ' HA ' ' A' 1827 ' ' PRO . 10.5 mt -131.61 -3.75 3.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.541 0.21 . . . . 1.0 110.732 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' 1831 ' ' ILE . 13.8 tp -80.89 124.21 28.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.157 0.503 . . . . 1.0 112.183 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' 1830 ' ' LEU . 21.9 mt -115.76 106.16 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 107.85 -1.167 . . . . 1.0 107.85 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.13 149.9 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 1.0 111.467 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1833 ' ' LYS . . . . . 0.458 ' HA ' HD22 ' A' 1835 ' ' ASN . 5.0 ptpt -97.72 155.98 36.56 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.94 126.9 13.55 Favored 'Cis proline' 0 N--CA 1.503 2.086 0 C-N-CA 124.643 -0.982 . . . . 1.0 112.689 0.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' 1833 ' ' LYS . 0.4 OUTLIER -143.07 66.77 1.31 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.154 -1.018 . . . . 1.0 111.978 177.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -82.6 -31.64 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.001 0.905 . . . . 1.0 110.257 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 10.9 t -67.64 -32.8 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 113.821 -1.536 . . . . 1.0 110.629 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -69.15 -30.32 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.554 . . . . 1.0 110.035 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.92 -34.86 44.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.362 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.83 -41.45 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -61.45 -25.82 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.586 0.231 . . . . 1.0 110.841 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' 1843 ' ' ASP . 20.0 ttm -75.81 16.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.605 0.362 . . . . 1.0 111.389 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1843 ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' 1842 ' ' MET . 11.4 t70 20.65 53.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.23 113.18 10.33 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.999 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.88 136.07 22.84 Favored 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 120.855 1.037 . . . . 1.0 109.597 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 10.0 mtp -124.66 126.07 45.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.649 . . . . 1.0 112.751 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' 1848 ' ' SER . 27.5 m -86.28 -174.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 175.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.549 ' O ' ' N ' ' A' 1850 ' ' ASP . 5.3 t -24.22 125.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.221 0.325 . . . . 1.0 111.431 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1849 ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' 1848 ' ' SER . . . -27.78 -35.53 0.01 OUTLIER Glycine 0 N--CA 1.472 1.069 0 O-C-N 123.494 0.497 . . . . 1.0 112.558 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' 1848 ' ' SER . 32.4 t0 -39.26 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' 1813 ' ' ILE . 0.1 OUTLIER -142.68 -178.66 5.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.188 0.518 . . . . 1.0 112.272 -176.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1852 ' ' ILE . . . . . 0.57 ' N ' HD12 ' A' 1852 ' ' ILE . 3.3 mp -117.26 153.58 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.21 -177.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.4 ' N ' HG22 ' A' 1852 ' ' ILE . 2.3 t-80 -69.96 121.48 17.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.712 -1.131 . . . . 1.0 110.763 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 32.1 t -58.95 -42.83 90.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.62 -41.5 61.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.721 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.59 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.293 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1857 ' ' ILE . . . . . 0.41 HD11 ' HB ' ' A' 1852 ' ' ILE . 86.6 mt -58.32 -44.81 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.197 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1858 ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' 1862 ' ' THR . 24.1 tp -64.12 -50.73 67.11 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.692 0.282 . . . . 1.0 110.927 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -66.2 -39.67 89.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.08 0.467 . . . . 1.0 110.788 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.05 90.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1861 ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' 1865 ' ' VAL . 5.3 m-85 -74.54 -22.12 59.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.802 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1862 ' ' THR . . . . . 0.536 HG23 ' O ' ' A' 1858 ' ' LEU . 23.3 p -80.26 -31.83 38.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.118 0.485 . . . . 1.0 109.989 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -79.13 -46.65 17.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1864 ' ' ARG . . . . . 0.521 ' NH1' ' OE1' ' A' 1868 ' ' GLU . 12.9 ttp85 -51.67 -41.03 61.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' 1865 ' ' VAL . 3.3 t -37.77 -49.34 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.236 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1866 ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' 1868 ' ' GLU . 4.5 mm? -90.64 -38.64 12.98 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -55.59 -6.48 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1868 ' ' GLU . . . . . 0.521 ' OE1' ' NH1' ' A' 1864 ' ' ARG . 11.5 tp10 -113.06 104.74 12.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.398 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 14.2 m 59.24 2.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1870 ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' 1868 ' ' GLU . . . -99.87 175.8 27.86 Favored Glycine 0 N--CA 1.466 0.638 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1871 ' ' GLU . . . . . 0.428 ' H ' ' H ' ' A' 1872 ' ' MET . 11.7 pt-20 -175.47 -9.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 1.0 110.569 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1872 ' ' MET . . . . . 0.428 ' H ' ' H ' ' A' 1871 ' ' GLU . 30.1 tpp -55.04 -18.97 5.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.248 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -69.03 -20.83 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.661 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.54 66.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.613 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.2 -28.66 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -68.75 -26.43 65.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1877 ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' 1879 ' ' MET . 95.7 mt -51.11 -56.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 1.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -76.63 34.13 0.14 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.706 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1879 ' ' MET . . . . . 0.496 ' H ' ' C ' ' A' 1877 ' ' ILE . 55.5 mtt 55.45 47.02 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.25 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.76 36.3 26.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.563 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 54.6 60.88 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.565 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.878 0.371 . . . . 1.0 110.523 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 19.9 t30 -68.22 96.05 0.62 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.34 125.33 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.612 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' 1781 ' ' VAL . 90.9 p -172.49 108.3 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' 1780 ' ' SER . 35.1 m 36.83 -160.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.264 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -163.59 24.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.735 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1783 ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' 1785 ' ' GLU . 0.0 OUTLIER -69.26 120.98 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.96 0.409 . . . . 1.0 110.502 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 37.22 -89.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.982 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1785 ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' 1783 ' ' THR . 11.2 pt-20 -68.87 -135.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.439 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 72.2 p -173.9 133.19 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.775 0.322 . . . . 1.0 110.354 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . 46.33 93.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.439 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1788 ' ' GLU . . . . . 0.605 ' CD ' ' H ' ' A' 1788 ' ' GLU . 1.5 pm0 -45.06 146.56 1.39 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -39.41 -64.96 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.218 1.945 . . . . 1.0 112.553 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1790 ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' 1790 ' ' LEU . 3.3 tt -89.13 102.34 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.719 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 47.3 t -103.11 178.72 4.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.461 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.52 -31.93 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -48.47 -30.73 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.675 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.95 -42.88 37.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.599 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -51.25 -50.0 60.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.182 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.67 -51.74 46.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.753 0.311 . . . . 1.0 110.416 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 54.6 ttp -52.47 -34.9 51.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.369 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1798 ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' 1798 ' ' PHE . 33.1 t80 -64.15 -40.25 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.16 -30.77 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.354 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -61.91 -44.25 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 1.0 110.423 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 25.0 t -72.83 -38.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 119.851 -0.74 . . . . 1.0 109.132 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -56.23 -41.98 76.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.994 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.21 -29.06 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.593 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.23 -34.24 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.548 0.689 . . . . 1.0 112.239 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.39 -5.06 37.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.868 -1.06 . . . . 1.0 111.054 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1806 ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' 1811 ' ' GLN . 52.2 t0 -154.1 82.52 4.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 1.0 110.551 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.75 -9.3 13.31 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.358 2.039 . . . . 1.0 112.315 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' 1809 ' ' ALA . 63.0 m-20 -85.94 -4.42 59.16 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.92 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1809 ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 64.97 25.96 12.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.335 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1810 ' ' THR . . . . . 0.403 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 11.0 p -67.27 -32.71 73.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1811 ' ' GLN . . . . . 0.484 ' O ' ' SG ' ' A' 1854 ' ' CYS . 1.9 tp60 77.95 20.02 1.04 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.521 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -129.07 154.44 46.67 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.229 -0.656 . . . . 1.0 109.229 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 9.6 tt -140.12 147.56 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.967 -0.458 . . . . 1.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1814 ' ' GLU . . . . . 0.485 ' HB2' ' HZ3' ' A' 1817 ' ' LYS . 50.9 mt-10 -79.02 136.81 37.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.918 0.39 . . . . 1.0 111.584 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -52.23 -45.39 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.083 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.03 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1817 ' ' LYS . . . . . 0.485 ' HZ3' ' HB2' ' A' 1814 ' ' GLU . 35.0 mtmm -107.86 4.43 25.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.981 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.8 tp -70.9 -22.28 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.407 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 2.3 m -77.42 -35.0 54.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.011 0.434 . . . . 1.0 109.894 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.25 -24.27 64.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.0 109.294 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.488 ' CZ ' HD21 ' A' 1825 ' ' LEU . 61.6 t80 -81.22 -48.01 12.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.911 -1.041 . . . . 1.0 110.906 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.54 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.59 -0.732 . . . . 1.0 112.484 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.23 1.4 56.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.852 0.358 . . . . 1.0 110.469 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.47 26.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.954 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.488 HD21 ' CZ ' ' A' 1821 ' ' PHE . 82.4 mt -73.4 165.67 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.15 0.5 . . . . 1.0 110.587 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.85 157.9 37.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.259 -1.015 . . . . 1.0 108.259 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.436 ' HA ' ' H ' ' A' 1829 ' ' LEU . 15.9 Cg_endo -55.62 147.62 58.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.024 1.816 . . . . 1.0 110.554 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -88.06 48.11 0.94 Allowed 'Cis proline' 0 N--CA 1.5 1.893 0 CA-C-N 119.758 0.949 . . . . 1.0 112.879 0.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.436 ' H ' ' HA ' ' A' 1827 ' ' PRO . 67.1 mt -130.75 -3.11 4.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.82 0.343 . . . . 1.0 110.147 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.72 123.22 28.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.572 0.582 . . . . 1.0 112.572 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 23.9 mt -114.11 105.76 19.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.061 -1.459 . . . . 1.0 107.061 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -58.22 150.88 20.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.197 0.523 . . . . 1.0 111.938 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 32.1 mttm -96.44 158.15 34.28 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.59 118.41 5.77 Favored 'Cis proline' 0 N--CA 1.499 1.802 0 C-N-CA 124.749 -0.938 . . . . 1.0 112.347 -0.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' 1835 ' ' ASN . 8.6 p-10 -142.03 67.26 1.33 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 119.327 -0.949 . . . . 1.0 111.681 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 47.1 tttt -83.5 -31.58 26.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.322 1.058 . . . . 1.0 110.292 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 20.1 t -64.11 -47.81 88.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 113.328 -1.76 . . . . 1.0 110.724 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1838 ' ' GLN . . . . . 0.442 ' H ' ' CD ' ' A' 1838 ' ' GLN . 22.2 mp0 -51.06 -26.65 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.345 0.593 . . . . 1.0 109.42 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.45 -34.88 47.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.955 -1.021 . . . . 1.0 111.476 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1840 ' ' ILE . . . . . 0.429 ' C ' ' H ' ' A' 1842 ' ' MET . 82.8 mt -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.335 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.31 42.36 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.573 0.225 . . . . 1.0 110.471 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.429 ' H ' ' C ' ' A' 1840 ' ' ILE . 7.5 mtt -122.38 -20.42 6.12 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.638 0.375 . . . . 1.0 110.47 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 35.3 t0 47.9 48.58 17.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 1.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.896 HD21 ' HB2' ' A' 1860 ' ' ALA . 11.4 mt -82.04 117.97 70.3 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.674 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.67 138.19 2.51 Favored 'Trans proline' 0 N--CA 1.486 1.064 0 C-N-CA 121.5 1.467 . . . . 1.0 110.672 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 5.9 mtt -120.2 125.49 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.165 0.507 . . . . 1.0 111.601 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' 1848 ' ' SER . 23.7 m -94.42 -174.84 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.579 ' O ' ' N ' ' A' 1850 ' ' ASP . 24.4 m -18.84 118.21 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.647 0.592 . . . . 1.0 111.294 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1849 ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' 1848 ' ' SER . . . -25.82 -36.25 0.01 OUTLIER Glycine 0 N--CA 1.474 1.205 0 O-C-N 123.583 0.552 . . . . 1.0 112.78 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' 1848 ' ' SER . 1.8 m-20 -43.98 -68.14 0.22 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.404 ' H ' ' HD2' ' A' 1851 ' ' ARG . 0.0 OUTLIER -144.09 -175.95 4.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.386 0.884 . . . . 1.0 113.386 -175.551 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1852 ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' 1852 ' ' ILE . 3.5 mp -119.57 161.39 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.648 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.505 ' N ' HG22 ' A' 1852 ' ' ILE . 2.2 t-80 -77.04 121.73 23.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1854 ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' 1811 ' ' GLN . 5.1 p -60.03 -44.32 94.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.103 -0.498 . . . . 1.0 111.033 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.34 -38.61 54.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.152 -0.619 . . . . 1.0 110.159 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 19.9 t0 -73.32 -43.03 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.582 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.23 -44.98 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.2 -50.47 73.91 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.086 0.47 . . . . 1.0 110.992 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.44 -29.39 70.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.469 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1860 ' ' ALA . . . . . 0.896 ' HB2' HD21 ' A' 1844 ' ' LEU . . . -70.91 -42.42 69.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 1.0 111.315 -178.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.69 -30.81 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.593 -1.185 . . . . 1.0 110.306 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 52.2 m -71.96 -34.1 68.71 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 120.395 -0.522 . . . . 1.0 109.768 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' 1867 ' ' GLY . 60.9 tttt -77.78 -46.09 22.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.165 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -52.13 -41.91 62.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.264 0.554 . . . . 1.0 111.572 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' 1865 ' ' VAL . 88.2 t -80.78 -14.24 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.823 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.89 -12.12 17.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.967 0.413 . . . . 1.0 110.671 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1867 ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -87.43 84.47 1.53 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.118 -0.793 . . . . 1.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -171.99 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.788 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 6.6 t -177.86 4.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1870 ' ' GLY . . . . . 0.494 ' C ' ' H ' ' A' 1872 ' ' MET . . . -85.08 -108.94 0.66 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 45.1 tt0 66.92 -8.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 1.0 110.733 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1872 ' ' MET . . . . . 0.494 ' H ' ' C ' ' A' 1870 ' ' GLY . 64.6 mtp -92.76 -17.16 24.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.505 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.75 -14.83 59.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -94.86 2.1 55.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.665 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 8.4 tt -96.35 -33.31 11.98 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.666 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1876 ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' 1879 ' ' MET . 0.5 OUTLIER -82.67 -70.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.643 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1877 ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' 1877 ' ' ILE . 1.9 mp -44.09 -21.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 1.0 110.566 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1878 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1876 ' ' ARG . 63.1 tp60 -83.32 -31.99 26.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 1.0 110.575 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1879 ' ' MET . . . . . 0.517 ' N ' ' O ' ' A' 1876 ' ' ARG . 16.8 tpt -51.62 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.443 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -109.8 51.49 0.75 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.871 0.367 . . . . 1.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' 1882 ' ' ARG . 30.9 mt-10 47.83 -139.61 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.473 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1882 ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' 1881 ' ' GLU . 77.7 mtt-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.819 0.342 . . . . 1.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -71.84 112.28 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1779 ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' 1779 ' ' PHE . 73.3 t80 -70.77 -5.85 33.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 34.5 t -66.69 113.22 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 9.1 p -53.67 137.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -80.9 171.55 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.709 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.6 121.65 24.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.217 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -100.88 5.3 43.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.242 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -163.21 142.24 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.629 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1786 ' ' SER . . . . . 0.64 ' O ' ' HB3' ' A' 1787 ' ' ALA . 6.8 m -76.16 -154.26 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.689 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1787 ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' 1786 ' ' SER . . . 83.81 146.97 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.6 150.95 2.21 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.368 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.23 -25.82 21.67 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.226 1.95 . . . . 1.0 112.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.06 108.88 20.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 38.5 m -105.68 163.89 12.34 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.085 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1792 ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' 1792 ' ' GLU . 1.4 pm0 -44.3 -31.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 1.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -48.47 -33.1 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.576 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -72.7 -44.61 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.557 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -50.23 -48.63 54.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.029 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.12 -53.33 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.255 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.7 -35.98 64.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.772 0.32 . . . . 1.0 110.454 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -70.23 -30.8 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.83 -41.11 95.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.253 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 34.6 t -76.42 -39.0 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -54.7 -42.75 71.82 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.739 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.91 -29.6 42.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.566 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.1 -35.55 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.793 0.664 . . . . 1.0 112.793 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -94.88 -8.14 38.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.354 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.4 88.1 1.82 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.703 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.07 -1.25 10.32 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.372 2.048 . . . . 1.0 111.479 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' 1808 ' ' ASP . 54.1 t0 -87.99 -7.85 56.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.273 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.21 28.11 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 10.8 p -68.69 -31.97 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.05 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 75.13 22.06 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1812 ' ' PHE . . . . . 0.47 ' CD1' ' NE ' ' A' 1851 ' ' ARG . 50.6 m-85 -129.36 151.83 49.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.67 146.64 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -80.22 141.42 35.63 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.08 -44.71 79.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.15 -23.82 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.813 0.339 . . . . 1.0 110.662 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.46 0.05 24.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.264 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -68.9 -24.58 64.33 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.378 -0.529 . . . . 1.0 110.525 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1819 ' ' SER . . . . . 0.536 ' O ' ' NZ ' ' A' 1833 ' ' LYS . 30.8 p -74.69 -35.71 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.385 -0.526 . . . . 1.0 110.103 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -68.82 -23.54 64.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.529 ' CZ ' HD21 ' A' 1825 ' ' LEU . 60.8 t80 -82.84 -47.35 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.188 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.05 -37.19 32.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.136 -0.938 . . . . 1.0 112.701 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.06 3.09 55.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.096 0.475 . . . . 1.0 110.134 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.66 -25.28 26.66 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.362 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' 1821 ' ' PHE . 78.5 mt -72.44 166.47 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.62 151.38 43.31 Favored Pre-proline 0 N--CA 1.465 0.309 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.416 ' HA ' ' H ' ' A' 1829 ' ' LEU . 74.2 Cg_exo -46.4 146.75 4.66 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.202 1.268 . . . . 1.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.71 48.44 0.98 Allowed 'Cis proline' 0 N--CA 1.501 1.956 0 CA-C-N 119.936 1.013 . . . . 1.0 112.05 -0.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' 1827 ' ' PRO . 85.1 mt -132.75 -3.64 3.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.66 0.267 . . . . 1.0 110.917 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' 1831 ' ' ILE . 17.1 tp -80.63 124.87 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' 1830 ' ' LEU . 55.6 mt -115.16 104.63 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 107.355 -1.35 . . . . 1.0 107.355 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.561 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.36 151.33 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1833 ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' 1819 ' ' SER . 39.5 mttp -91.69 155.94 43.28 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -87.63 105.33 0.61 Allowed 'Cis proline' 0 N--CA 1.5 1.883 0 C-N-CA 124.889 -0.88 . . . . 1.0 113.273 1.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' 1832 ' ' ALA . 94.1 m-20 -131.18 68.59 1.49 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.249 0.931 . . . . 1.0 111.732 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 42.2 tttt -80.61 -32.32 36.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.116 0.96 . . . . 1.0 110.367 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 44.5 t -64.81 -45.58 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 113.718 -1.583 . . . . 1.0 109.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -51.05 -26.63 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.173 0.511 . . . . 1.0 109.67 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.18 -34.72 49.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.732 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 87.1 mt -73.67 -43.1 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.849 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.12 64.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.194 -0.316 . . . . 1.0 110.964 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 27.6 mmm -66.95 -26.2 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.609 0.242 . . . . 1.0 111.273 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 38.8 t70 49.86 38.38 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.055 0.455 . . . . 1.0 110.106 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.8 mt -41.59 139.95 1.42 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.948 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.79 120.94 6.01 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.199 1.933 . . . . 1.0 110.588 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 10.5 mtt -100.68 140.38 35.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.252 0.548 . . . . 1.0 111.22 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.501 ' O ' ' C ' ' A' 1848 ' ' SER . 0.2 OUTLIER -89.26 -175.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.529 -0.915 . . . . 1.0 108.529 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.773 ' O ' ' N ' ' A' 1850 ' ' ASP . 8.0 t 4.08 110.96 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 O-C-N 124.251 0.969 . . . . 1.0 113.193 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 26.1 -56.19 0.0 OUTLIER Glycine 0 CA--C 1.542 1.744 0 O-C-N 124.667 1.229 . . . . 1.0 116.154 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.773 ' N ' ' O ' ' A' 1848 ' ' SER . 2.3 m-20 -148.74 78.49 1.41 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 117.123 0.461 . . . . 1.0 111.362 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.47 ' NE ' ' CD1' ' A' 1812 ' ' PHE . 1.6 mmm-85 -167.33 132.6 2.02 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.588 -0.278 . . . . 1.0 110.556 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.85 136.7 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.439 ' O ' ' OD2' ' A' 1856 ' ' ASP . 7.0 t-80 -105.12 121.47 43.89 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.987 0.422 . . . . 1.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1854 ' ' CYS . . . . . 0.469 ' HA ' HD12 ' A' 1857 ' ' ILE . 15.6 p -37.06 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 1.0 112.15 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1855 ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' 1855 ' ' LEU . 12.9 mt -53.78 -42.18 68.03 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.811 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1856 ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' 1857 ' ' ILE . 2.6 p30 -74.14 -37.05 64.17 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.247 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1857 ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' 1854 ' ' CYS . 19.5 mt -63.28 -42.8 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.751 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1858 ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' 1862 ' ' THR . 32.6 tp -62.43 -49.24 76.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.215 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.06 -41.6 86.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.955 -0.298 . . . . 1.0 111.207 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.605 -0.438 . . . . 1.0 111.688 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.22 -25.03 57.84 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.586 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1862 ' ' THR . . . . . 0.563 HG23 ' O ' ' A' 1858 ' ' LEU . 16.0 p -75.08 -31.8 61.32 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.511 ' CB ' ' NZ ' ' A' 1863 ' ' LYS . 4.6 ttpm? -78.88 -45.52 20.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.303 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -50.93 -40.98 58.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.456 0.646 . . . . 1.0 111.331 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' 1865 ' ' VAL . 40.6 t -80.08 -12.72 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.993 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1866 ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' 1866 ' ' LEU . 0.7 OUTLIER -102.41 -15.78 16.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.712 0.291 . . . . 1.0 111.331 -179.511 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -80.16 88.98 1.28 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.538 -0.839 . . . . 1.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -174.48 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 1.0 110.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 59.8 p -172.79 47.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -79.08 119.57 5.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -82.52 -10.21 59.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.052 0.453 . . . . 1.0 110.013 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1872 ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' 1872 ' ' MET . 3.6 ppp? -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.479 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.78 -16.95 59.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.514 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -72.54 -47.13 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1875 ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' 1875 ' ' LEU . 10.4 mp -45.76 -27.96 0.94 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.449 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -81.85 -44.3 17.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.377 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 66.3 mt -72.26 -22.24 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -74.32 -37.7 63.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.406 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 32.3 ttm -80.77 46.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -68.25 -35.73 78.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.584 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -77.97 129.98 35.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.941 -1.028 . . . . 1.0 110.534 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1777 ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' 1777 ' ' GLU . 3.4 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.742 0.306 . . . . 1.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.23 -178.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 44.7 t80 -73.21 63.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 81.5 p -159.46 41.32 0.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.532 HG22 ' N ' ' A' 1782 ' ' ALA . 10.7 p -54.75 161.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' 1781 ' ' VAL . . . 58.47 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 40.9 p -144.0 107.72 4.66 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.26 2.82 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.57 -69.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 23.0 t -162.04 102.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.515 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -167.25 75.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -145.5 153.28 51.35 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.05 -49.18 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.247 1.965 . . . . 1.0 111.936 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 7.2 tt -106.8 115.31 29.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 19.2 m -100.08 173.97 6.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.431 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1792 ' ' GLU . . . . . 0.617 ' CD ' ' H ' ' A' 1792 ' ' GLU . 7.5 pm0 -56.81 -30.04 63.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.188 0.518 . . . . 1.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1793 ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' 1794 ' ' ASP . 50.1 p-10 -48.66 -27.49 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.481 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1794 ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.8 m-20 -78.75 -43.78 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.524 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -50.92 -49.62 59.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.6 -51.08 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 110.307 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 44.9 ttp -52.87 -36.82 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.263 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -62.01 -42.16 98.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.454 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1799 ' ' TYR . . . . . 0.427 ' O ' ' OE2' ' A' 1803 ' ' GLU . 49.4 m-85 -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.112 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -60.63 -43.6 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.449 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.3 t -74.93 -38.34 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.529 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1802 ' ' TRP . . . . . 0.515 ' CZ3' ' SG ' ' A' 1854 ' ' CYS . 14.6 t-105 -59.92 -38.71 83.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.843 -0.743 . . . . 1.0 111.641 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1803 ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' 1803 ' ' GLU . 0.1 OUTLIER -64.98 -29.79 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.1 -0.24 . . . . 1.0 111.383 -178.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 56.7 mttp -68.18 -28.61 67.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.797 0.808 . . . . 1.0 110.777 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.03 -73.99 0.13 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.328 -1.305 . . . . 1.0 111.738 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1806 ' ' ASP . . . . . 0.573 ' C ' ' H ' ' A' 1808 ' ' ASP . 77.1 m-20 -118.63 86.66 29.95 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.27 -0.269 . . . . 1.0 110.992 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.49 3.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 122.746 2.297 . . . . 1.0 113.029 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.573 ' H ' ' C ' ' A' 1806 ' ' ASP . 52.3 t0 -81.98 -15.12 54.81 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1809 ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 69.57 26.34 5.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.212 0.53 . . . . 1.0 110.169 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.5 p -66.58 -33.08 74.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.601 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 75.55 16.27 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -127.04 156.76 41.14 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.4 tt -143.09 147.21 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 118.43 0.559 . . . . 1.0 109.865 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1814 ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' 1814 ' ' GLU . 23.0 mp0 -80.57 140.51 35.76 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.363 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.78 -45.34 70.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.651 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.51 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 65.2 mttm -107.19 1.6 24.15 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.917 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 67.8 tp -67.22 -27.97 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.096 -0.641 . . . . 1.0 110.984 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1819 ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' 1823 ' ' ASP . 47.6 m -70.33 -35.27 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.206 -0.597 . . . . 1.0 110.471 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.17 -25.66 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.3 t80 -79.81 -48.83 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.124 -0.944 . . . . 1.0 110.422 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.67 36.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.955 -1.021 . . . . 1.0 112.171 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1823 ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' 1819 ' ' SER . 4.2 p30 -94.01 1.61 56.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.964 0.412 . . . . 1.0 110.519 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.47 -25.77 26.7 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.057 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' 1821 ' ' PHE . 78.2 mt -73.24 166.44 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1826 ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.7 OUTLIER -112.08 151.26 43.47 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.214 178.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.414 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.1 Cg_exo -46.09 147.63 3.49 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.28 1.32 . . . . 1.0 111.118 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -89.25 48.25 1.06 Allowed 'Cis proline' 0 N--CA 1.499 1.828 0 CA-C-N 119.874 0.991 . . . . 1.0 112.124 -0.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.414 ' H ' ' HA ' ' A' 1827 ' ' PRO . 72.3 mt -132.7 -3.06 3.3 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.654 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' 1831 ' ' ILE . 16.0 tp -81.55 123.64 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.459 0.54 . . . . 1.0 112.459 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' 1830 ' ' LEU . 28.5 mt -113.5 103.59 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 1.0 107.089 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.575 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -57.78 151.78 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.976 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.46 159.82 32.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 107.67 -1.233 . . . . 1.0 107.67 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.72 102.06 0.37 Allowed 'Cis proline' 0 N--CA 1.499 1.797 0 C-N-CA 124.64 -0.983 . . . . 1.0 113.291 1.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.575 ' ND2' ' O ' ' A' 1832 ' ' ALA . 5.9 m-80 -127.53 69.05 1.3 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.387 0.994 . . . . 1.0 111.504 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1836 ' ' LYS . . . . . 0.447 ' CB ' ' NZ ' ' A' 1836 ' ' LYS . 2.5 ttmp? -80.68 -31.16 36.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.318 1.056 . . . . 1.0 110.061 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 14.6 t -64.79 -47.04 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 113.267 -1.788 . . . . 1.0 110.298 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -50.34 -25.87 4.29 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.14 -35.14 49.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.084 -0.962 . . . . 1.0 110.913 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 81.3 mt -74.11 -41.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.448 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -59.29 -27.84 66.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.346 -0.221 . . . . 1.0 111.021 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 21.4 mmm -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 1.0 111.3 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.04 28.16 17.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 2.9 mt -34.68 99.79 0.17 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.469 -0.787 . . . . 1.0 111.548 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -45.51 125.29 7.45 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.939 1.759 . . . . 1.0 111.299 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 5.9 mtt -106.55 137.86 43.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.576 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' 1851 ' ' ARG . 26.2 m -103.21 -171.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.149 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' 1850 ' ' ASP . 12.4 t 7.58 111.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.352 1.033 . . . . 1.0 113.189 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 17.55 -63.57 0.0 OUTLIER Glycine 0 CA--C 1.537 1.438 0 O-C-N 124.523 1.14 . . . . 1.0 114.939 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.73 ' N ' ' O ' ' A' 1848 ' ' SER . 12.3 m-20 -137.91 79.46 1.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.805 0.302 . . . . 1.0 111.77 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' 1847 ' ' VAL . 7.7 tpp180 -168.09 126.69 1.2 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.181 -0.607 . . . . 1.0 112.18 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 38.8 mt -99.65 132.26 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 1.0 112.453 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.468 ' CE1' ' HG ' ' A' 1855 ' ' LEU . 5.7 t-160 -79.45 122.01 25.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.957 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1854 ' ' CYS . . . . . 0.515 ' SG ' ' CZ3' ' A' 1802 ' ' TRP . 33.2 t -63.42 -33.51 75.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.598 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1855 ' ' LEU . . . . . 0.468 ' HG ' ' CE1' ' A' 1853 ' ' HIS . 0.2 OUTLIER -51.39 -43.98 62.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -45.89 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.81 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.19 -46.15 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1858 ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' 1862 ' ' THR . 55.7 tp -62.29 -50.56 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 111.14 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.8 t80 -67.76 -36.21 80.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.386 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.74 81.11 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.26 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -74.86 -48.07 26.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.138 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1862 ' ' THR . . . . . 0.416 HG23 ' O ' ' A' 1858 ' ' LEU . 21.6 p -52.02 -32.59 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 1.0 109.877 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -79.23 -46.04 18.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1864 ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' 1868 ' ' GLU . 61.6 ttp85 -51.12 -41.34 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 92.7 t -38.16 -49.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.927 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.3 tt -90.56 -40.04 12.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.791 0.329 . . . . 1.0 110.367 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -41.48 -37.05 1.67 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1868 ' ' GLU . . . . . 0.461 ' CD ' HH11 ' A' 1864 ' ' ARG . 97.2 mt-10 -78.44 115.21 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 1.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 49.1 m 50.27 28.86 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1870 ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' 1872 ' ' MET . . . -54.53 -15.72 6.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1871 ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' 1873 ' ' ASP . 0.8 OUTLIER 73.97 -32.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 1.0 110.551 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1872 ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' 1870 ' ' GLY . 19.2 mmt -64.49 1.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.462 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1873 ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' 1871 ' ' GLU . 14.2 t0 -76.48 -18.68 58.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -78.22 -21.6 49.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.565 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1875 ' ' LEU . . . . . 0.598 ' N ' HD22 ' A' 1875 ' ' LEU . 3.3 mm? -78.54 -21.22 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.241 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.27 -51.27 8.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.653 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.7 -42.92 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -65.43 -21.33 66.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.498 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.08 72.42 1.49 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.214 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.618 ' H ' ' CD ' ' A' 1880 ' ' GLU . 1.6 pm0 -79.08 60.33 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.571 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -77.97 29.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.48 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1882 ' ' ARG . . . . . 0.448 ' H ' ' C ' ' A' 1880 ' ' GLU . 15.3 tpt180 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.08 -0.962 . . . . 1.0 110.492 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 33.5 tp10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.758 0.313 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 73.6 m-80 52.46 -179.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.567 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 58.6 t80 52.5 100.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.565 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 26.6 t -165.0 89.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 26.0 m -56.89 143.11 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' 1784 ' ' GLU . . . -78.01 107.4 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.642 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1783 ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' 1786 ' ' SER . 5.5 p -48.89 -16.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.408 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1784 ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' 1786 ' ' SER . 90.8 mt-10 -41.89 -66.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1785 ' ' GLU . . . . . 0.595 ' H ' ' CD ' ' A' 1785 ' ' GLU . 10.8 pm0 -63.86 2.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.603 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1786 ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' 1784 ' ' GLU . 8.6 t 52.86 82.58 0.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -50.02 149.92 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.454 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1788 ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' 1790 ' ' LEU . 39.1 mt-10 -60.98 128.92 89.91 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.279 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -38.72 -29.44 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.996 1.797 . . . . 1.0 112.474 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1790 ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' 1790 ' ' LEU . 1.9 tt -88.11 97.55 11.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.406 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 6.0 m -99.56 179.23 4.62 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.716 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.87 -29.53 70.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.531 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.37 -29.71 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.504 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.8 -42.09 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.417 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.55 -49.66 61.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.928 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1796 ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' 1800 ' ' GLU . 39.9 mt-10 -69.04 -50.27 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 1.0 110.59 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 34.5 ttp -52.29 -34.77 48.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 29.8 t80 -63.92 -38.44 91.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.265 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.82 -32.36 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1800 ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' 1800 ' ' GLU . 0.3 OUTLIER -61.0 -43.86 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.064 -0.347 . . . . 1.0 110.064 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.3 t -73.6 -38.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.959 -0.696 . . . . 1.0 109.158 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -55.2 -42.33 73.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.791 -0.641 . . . . 1.0 111.01 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.41 -29.26 58.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.561 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 55.4 mttm -69.22 -35.45 76.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.597 0.592 . . . . 1.0 112.597 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.09 -6.15 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.015 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1806 ' ' ASP . . . . . 0.429 ' OD2' ' OG1' ' A' 1810 ' ' THR . 42.9 t0 -155.44 84.7 3.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.096 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.46 -6.51 12.72 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.218 1.945 . . . . 1.0 111.652 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' 1808 ' ' ASP . 10.8 t70 -88.84 -5.56 57.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.61 27.98 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 1.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1810 ' ' THR . . . . . 0.429 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 3.2 p -67.32 -31.5 71.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 74.15 20.66 2.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -129.95 153.61 48.19 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.909 -0.774 . . . . 1.0 108.909 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -143.05 147.78 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 118.77 0.713 . . . . 1.0 110.072 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -81.82 142.09 32.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.92 -44.46 82.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.717 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.26 -24.32 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.007 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -105.83 -0.32 25.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.489 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 63.9 tp -67.08 -30.68 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.228 -0.589 . . . . 1.0 110.661 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.3 p -68.56 -35.63 77.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.262 -0.575 . . . . 1.0 110.373 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -69.89 -24.88 63.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.533 ' CZ ' HD21 ' A' 1825 ' ' LEU . 54.0 t80 -81.86 -48.04 12.05 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.781 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.25 -37.26 22.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.043 -0.981 . . . . 1.0 112.383 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.49 3.45 55.12 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.983 0.42 . . . . 1.0 110.13 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.8 -25.81 26.11 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.31 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.533 HD21 ' CZ ' ' A' 1821 ' ' PHE . 76.6 mt -72.14 167.0 21.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.539 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.91 150.41 42.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.421 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.7 Cg_exo -46.65 148.08 3.95 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.311 1.341 . . . . 1.0 111.041 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1828 ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' 1865 ' ' VAL . 47.7 Cg_endo -88.87 48.04 1.04 Allowed 'Cis proline' 0 N--CA 1.501 1.969 0 CA-C-N 119.936 1.013 . . . . 1.0 112.238 -0.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.421 ' H ' ' HA ' ' A' 1827 ' ' PRO . 36.5 mt -132.7 -3.54 3.28 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.864 0.364 . . . . 1.0 110.642 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' 1831 ' ' ILE . 13.9 tp -80.54 124.11 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.34 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' 1830 ' ' LEU . 31.1 mt -113.94 104.12 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 107.297 -1.372 . . . . 1.0 107.297 177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.579 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -58.27 150.89 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.876 -0.329 . . . . 1.0 111.035 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -94.34 159.95 32.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -85.69 101.88 0.36 Allowed 'Cis proline' 0 N--CA 1.498 1.737 0 C-N-CA 124.728 -0.947 . . . . 1.0 113.44 1.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' 1832 ' ' ALA . 10.8 m-80 -129.25 68.82 1.41 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.309 0.959 . . . . 1.0 111.484 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 43.3 tttt -80.35 -31.19 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.394 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 30.6 t -63.67 -47.55 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 113.464 -1.698 . . . . 1.0 110.16 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 60.0 mt-30 -50.47 -26.37 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.325 0.583 . . . . 1.0 109.526 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.43 -36.1 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.796 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.7 mt -73.88 -41.29 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.313 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.48 41.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.552 0.215 . . . . 1.0 110.638 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' 1844 ' ' LEU . 30.3 mtm -109.29 41.21 1.69 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.646 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1843 ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' 1842 ' ' MET . 38.6 t70 -32.01 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.059 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.502 ' H ' HD12 ' A' 1844 ' ' LEU . 4.8 mp -71.37 128.8 89.7 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.906 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -39.78 128.46 1.91 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.693 1.595 . . . . 1.0 111.394 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1846 ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' 1844 ' ' LEU . 4.4 mmt -100.01 132.62 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.566 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' 1851 ' ' ARG . 0.0 OUTLIER -90.44 -177.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.215 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.774 ' O ' ' N ' ' A' 1850 ' ' ASP . 1.9 t 2.55 112.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.213 0.946 . . . . 1.0 112.723 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 14.43 -55.2 0.0 OUTLIER Glycine 0 CA--C 1.54 1.632 0 N-CA-C 115.978 1.151 . . . . 1.0 115.978 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.774 ' N ' ' O ' ' A' 1848 ' ' SER . 5.5 p-10 -130.86 66.78 1.52 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 117.296 0.548 . . . . 1.0 111.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' 1847 ' ' VAL . 74.4 mtm-85 -165.36 138.06 4.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 24.6 mt -105.82 142.57 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 115.363 -0.835 . . . . 1.0 112.206 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.22 123.21 29.36 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.09 -0.959 . . . . 1.0 111.888 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.4 p -63.77 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.814 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.17 -38.84 87.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.5 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1856 ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' 1856 ' ' ASP . 2.2 m-20 -71.51 -44.73 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.181 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.34 -45.14 85.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.61 -49.75 73.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.27 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 80.7 t80 -67.1 -45.14 78.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.744 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.0 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.194 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1861 ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' 1865 ' ' VAL . 6.3 m-85 -76.5 -25.44 54.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 99.8 m -76.66 -32.5 57.99 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 29.1 tttm -76.62 -47.31 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.482 -0.781 . . . . 1.0 109.583 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -51.73 -41.72 61.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.822 -0.627 . . . . 1.0 111.549 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' 1861 ' ' PHE . 31.1 m -79.56 -14.41 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.969 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.77 -5.48 26.27 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.946 -0.391 . . . . 1.0 109.946 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -96.83 62.66 1.09 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -174.43 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 1.0 110.634 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 36.7 p -100.2 -32.4 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 44.36 64.34 2.07 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.736 -0.945 . . . . 1.0 110.736 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -78.64 -2.07 37.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.723 0.296 . . . . 1.0 110.988 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 29.9 ttp -79.09 -11.56 59.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.638 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.18 -15.02 59.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.727 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -79.42 -10.49 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1875 ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' 1875 ' ' LEU . 3.3 mm? -83.37 -37.42 23.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.31 -2.94 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1877 ' ' ILE . . . . . 0.506 ' C ' ' H ' ' A' 1879 ' ' MET . 8.0 mm -77.75 -65.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -74.26 36.79 0.1 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.897 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1879 ' ' MET . . . . . 0.53 ' O ' ' N ' ' A' 1881 ' ' GLU . 39.0 mtt 54.67 35.4 23.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.192 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 60.85 -70.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' 1879 ' ' MET . 28.5 tt0 -72.59 135.52 45.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.541 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 48.3 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.054 -0.975 . . . . 1.0 110.528 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1777 ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' 1777 ' ' GLU . 14.1 mp0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.841 0.353 . . . . 1.0 110.502 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1778 ' ' ASN . . . . . 0.431 ' CG ' ' N ' ' A' 1779 ' ' PHE . 19.8 t-20 -69.99 -111.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.606 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1779 ' ' PHE . . . . . 0.431 ' N ' ' CG ' ' A' 1778 ' ' ASN . 87.1 t80 55.96 -89.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.549 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.416 ' N ' ' CD2' ' A' 1779 ' ' PHE . 10.9 t -151.26 93.3 1.89 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.44 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 19.0 m -68.41 -161.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.667 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -62.84 134.37 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.707 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1783 ' ' THR . . . . . 0.517 HG23 ' N ' ' A' 1784 ' ' GLU . 15.1 t -89.45 -41.01 12.32 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1784 ' ' GLU . . . . . 0.517 ' N ' HG23 ' A' 1783 ' ' THR . 36.5 mt-10 57.2 52.37 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.543 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -79.15 56.9 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 58.8 m 46.78 83.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -166.63 75.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.555 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.22 151.43 92.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.38 -64.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.117 1.878 . . . . 1.0 111.801 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.58 121.09 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.352 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 17.9 t -110.34 174.47 5.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.119 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.15 -40.09 73.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -48.39 -29.55 4.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.36 -42.61 29.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.577 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.34 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -67.93 -49.99 58.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 1.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1797 ' ' MET . . . . . 0.412 ' SD ' ' OD1' ' A' 1826 ' ' ASP . 25.9 ttp -52.6 -35.98 55.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.03 -40.67 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -69.5 -31.7 70.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.186 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -59.82 -44.4 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.4 t -74.6 -38.75 46.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.009 -0.677 . . . . 1.0 109.309 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -55.43 -42.59 74.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.156 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.23 -28.99 60.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.176 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -67.85 -35.72 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.499 0.666 . . . . 1.0 112.377 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -98.32 -4.77 34.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.86 -1.064 . . . . 1.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1806 ' ' ASP . . . . . 0.427 ' OD1' ' OG1' ' A' 1810 ' ' THR . 20.4 t70 -156.68 83.49 3.2 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 1.0 111.053 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.33 -5.89 12.76 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.336 2.024 . . . . 1.0 111.857 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.467 ' CG ' HG23 ' A' 1810 ' ' THR . 12.1 p30 -89.47 -4.28 58.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.277 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.02 27.79 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1810 ' ' THR . . . . . 0.467 HG23 ' CG ' ' A' 1808 ' ' ASP . 9.2 p -68.83 -31.13 69.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.112 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 75.55 23.55 1.45 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.87 0.731 . . . . 1.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.25 151.75 51.19 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.3 tt -142.96 147.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 118.678 0.672 . . . . 1.0 109.869 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -81.16 141.09 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.064 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.35 -46.17 72.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.127 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.46 -24.89 33.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.19 -0.04 24.9 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.272 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.2 tp -69.12 -24.42 64.11 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.342 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 13.3 p -75.6 -34.63 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.265 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.32 -22.89 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' 1825 ' ' LEU . 55.3 t80 -82.78 -47.28 12.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.623 -1.171 . . . . 1.0 111.079 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.93 -38.32 35.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.525 -0.761 . . . . 1.0 112.617 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.96 1.92 56.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.942 0.401 . . . . 1.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.28 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.858 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' 1821 ' ' PHE . 84.3 mt -71.97 164.15 26.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.83 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1826 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1827 ' ' PRO . 0.0 OUTLIER -110.59 151.97 43.11 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 179.171 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.431 ' O ' ' OD1' ' A' 1826 ' ' ASP . 73.9 Cg_exo -45.68 146.93 3.31 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.445 1.43 . . . . 1.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -88.75 48.29 1.0 Allowed 'Cis proline' 0 N--CA 1.502 2.015 0 CA-C-N 119.998 1.035 . . . . 1.0 112.06 -0.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.424 ' H ' ' HA ' ' A' 1827 ' ' PRO . 72.1 mt -132.47 -2.88 3.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.907 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.99 121.53 26.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.091 0.472 . . . . 1.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.621 HG22 ' OD1' ' A' 1835 ' ' ASN . 49.5 mt -114.13 106.72 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -55.34 151.69 9.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.655 -0.702 . . . . 1.0 111.38 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 48.8 mttt -99.72 157.36 34.08 Favored Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.13 124.45 10.62 Favored 'Cis proline' 0 N--CA 1.504 2.133 0 C-N-CA 124.506 -1.039 . . . . 1.0 112.7 0.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.797 ' H ' HD22 ' A' 1835 ' ' ASN . 0.0 OUTLIER -139.85 65.9 1.41 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.333 -0.947 . . . . 1.0 111.808 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.46 -32.33 26.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.311 1.053 . . . . 1.0 110.145 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 37.0 t -67.69 -54.1 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 113.861 -1.518 . . . . 1.0 110.803 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -55.2 -25.98 36.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.916 0.865 . . . . 1.0 108.859 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1839 ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' 1835 ' ' ASN . 0.9 OUTLIER -75.62 -39.67 57.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.997 -1.456 . . . . 1.0 109.701 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.31 -36.35 42.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.962 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.51 59.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.596 -0.275 . . . . 1.0 110.651 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 40.8 mtp -74.1 -28.68 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.641 0.258 . . . . 1.0 111.124 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 14.2 t70 45.82 43.8 10.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 1.0 110.201 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.482 ' H ' HD12 ' A' 1844 ' ' LEU . 3.3 mp -45.98 117.31 3.84 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.132 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.33 128.38 2.31 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.924 1.749 . . . . 1.0 111.672 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 18.9 mtt -106.98 134.01 50.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.294 0.569 . . . . 1.0 111.468 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' 1848 ' ' SER . 0.1 OUTLIER -91.04 -175.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.378 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' 1850 ' ' ASP . 2.2 t 3.44 113.28 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.38 1.05 . . . . 1.0 113.033 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 15.57 -56.62 0.0 OUTLIER Glycine 0 CA--C 1.543 1.811 0 N-CA-C 115.545 0.978 . . . . 1.0 115.545 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.793 ' N ' ' O ' ' A' 1848 ' ' SER . 24.4 t0 -136.47 73.28 1.45 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.196 0.498 . . . . 1.0 111.074 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -167.58 129.3 1.54 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.393 -0.523 . . . . 1.0 112.085 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 33.7 mt -103.65 141.3 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.465 0.65 . . . . 1.0 112.708 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -82.45 123.55 29.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.692 -1.14 . . . . 1.0 111.895 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1854 ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' 1855 ' ' LEU . 16.3 p -63.9 -36.54 84.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.642 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1855 ' ' LEU . . . . . 0.435 ' N ' ' SG ' ' A' 1854 ' ' CYS . 36.0 mt -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.859 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.92 -43.05 62.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.344 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.5 -45.31 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.73 -50.34 74.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.059 0.456 . . . . 1.0 110.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -67.64 -32.39 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.11 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.8 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 1.0 111.48 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.84 -22.81 58.48 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.723 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 26.9 m -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.127 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' 1867 ' ' GLY . 49.9 mmtt -76.61 -45.99 27.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.649 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -51.52 -41.52 61.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.432 0.634 . . . . 1.0 111.222 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' 1865 ' ' VAL . 56.7 t -81.36 -14.87 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 114.954 -1.021 . . . . 1.0 111.14 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 5.5 tp -104.88 -18.01 14.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 111.849 0.315 . . . . 1.0 111.849 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1867 ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -91.51 71.44 1.82 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -161.05 82.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.529 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 7.9 t 54.53 31.45 14.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -62.83 -120.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1871 ' ' GLU . . . . . 0.4 ' OE2' ' OE1' ' A' 1784 ' ' GLU . 57.3 tt0 -170.66 -9.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.992 0.425 . . . . 1.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 11.8 tpt -64.43 -26.33 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1873 ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' 1873 ' ' ASP . 57.7 t0 -70.84 -27.62 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.3 65.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.458 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.47 -16.22 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -77.07 -41.25 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.581 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.61 -22.34 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -82.73 -39.32 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1879 ' ' MET . . . . . 0.445 ' C ' ' H ' ' A' 1881 ' ' GLU . 9.5 ttt -53.94 -25.34 20.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.63 32.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.559 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' 1879 ' ' MET . 19.7 pt-20 -69.17 159.26 33.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.496 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.781 0.324 . . . . 1.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1778 ' ' ASN . . . . . 0.449 ' CG ' ' N ' ' A' 1779 ' ' PHE . 12.2 t-20 -68.35 -112.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.455 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1779 ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' 1779 ' ' PHE . 63.5 t80 -160.46 -5.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.535 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.413 ' H ' ' H ' ' A' 1779 ' ' PHE . 27.1 t -173.08 99.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 29.3 m -54.56 149.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.513 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -50.62 112.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1783 ' ' THR . . . . . 0.415 HG22 ' H ' ' A' 1783 ' ' THR . 0.1 OUTLIER -68.59 125.02 25.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 110.42 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.55 11.7 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.599 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -49.81 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1786 ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' 1787 ' ' ALA . 32.2 t -167.87 120.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.669 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1787 ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' 1786 ' ' SER . . . 59.53 142.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.782 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.92 125.11 69.64 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.335 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.8 161.01 27.55 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.878 1.719 . . . . 1.0 111.792 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1790 ' ' LEU . . . . . 0.524 HD23 ' C ' ' A' 1790 ' ' LEU . 3.3 tt -86.74 97.37 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 1.0 110.306 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 74.1 m -101.54 179.19 4.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.754 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.8 -30.67 70.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.699 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -48.1 -28.64 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.041 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -73.31 -45.63 54.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.274 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -50.59 -48.26 57.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.19 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -70.58 -53.96 13.95 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.646 0.61 . . . . 1.0 112.646 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1797 ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' 1797 ' ' MET . 0.0 OUTLIER -52.94 -34.02 53.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.829 0.347 . . . . 1.0 110.661 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 28.0 t80 -64.81 -39.61 93.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.42 -30.52 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.24 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.405 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 16.2 t -75.06 -38.49 42.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.19 -0.67 . . . . 1.0 109.19 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -56.27 -42.72 77.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.296 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.6 -28.05 63.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.638 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.99 -32.91 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 1.0 112.111 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1805 ' ' PHE . . . . . 0.41 ' O ' ' OD1' ' A' 1806 ' ' ASP . 68.7 m-85 -98.02 -5.59 33.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.886 -1.052 . . . . 1.0 111.223 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1806 ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' 1805 ' ' PHE . 64.0 m-20 -158.36 86.54 2.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.765 -0.374 . . . . 1.0 111.375 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.47 -3.75 10.79 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.283 1.989 . . . . 1.0 111.73 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.417 ' CG ' HG23 ' A' 1810 ' ' THR . 18.9 p30 -92.17 -5.96 51.6 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.1 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 58.79 32.03 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1810 ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' 1808 ' ' ASP . 7.7 p -69.99 -31.75 69.59 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 80.09 24.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.17 -0.923 . . . . 1.0 111.011 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -130.56 149.68 52.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -140.98 147.12 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1814 ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' 1815 ' ' PHE . 0.0 OUTLIER -79.71 135.63 36.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.025 0.38 . . . . 1.0 112.025 -177.776 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1815 ' ' PHE . . . . . 0.538 ' N ' ' OE1' ' A' 1814 ' ' GLU . 34.9 t80 -53.03 -44.93 67.74 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.476 -0.49 . . . . 1.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.66 -22.58 46.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.259 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -109.23 2.16 20.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.263 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.58 -27.65 65.3 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.035 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.8 m -70.46 -34.49 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.594 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -73.61 -26.37 60.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.57 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.58 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.5 t80 -80.55 -48.36 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.87 15.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.587 -1.188 . . . . 1.0 111.325 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.63 3.77 54.67 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.01 0.433 . . . . 1.0 110.208 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -90.46 -22.05 21.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.787 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.58 HD21 ' CZ ' ' A' 1821 ' ' PHE . 89.8 mt -70.91 178.01 3.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.138 0.494 . . . . 1.0 110.849 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -122.32 146.13 46.25 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.488 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.446 ' HA ' ' H ' ' A' 1829 ' ' LEU . 60.5 Cg_exo -48.29 148.24 7.7 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.226 1.284 . . . . 1.0 111.035 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.72 48.19 1.01 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.871 0.99 . . . . 1.0 112.113 -0.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.446 ' H ' ' HA ' ' A' 1827 ' ' PRO . 15.8 mt -134.03 -4.81 2.76 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.861 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' 1831 ' ' ILE . 10.2 tp -79.29 126.49 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.503 . . . . 1.0 112.135 -178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.554 ' N ' HD12 ' A' 1830 ' ' LEU . 71.5 mt -117.87 100.35 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 106.198 -1.779 . . . . 1.0 106.198 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -108.2 67.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.154 -0.93 . . . . 1.0 112.046 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1833 ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' 1832 ' ' ALA . 2.0 mptm? 50.02 158.49 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.458 -0.792 . . . . 1.0 111.411 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -97.73 28.74 15.75 Favored 'Cis proline' 0 N--CA 1.493 1.495 0 CA-C-N 118.735 0.584 . . . . 1.0 112.557 -0.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' 1835 ' ' ASN . 3.5 p30 -96.5 70.6 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.7 -37.5 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.826 0.822 . . . . 1.0 109.995 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 15.8 t -50.58 -44.88 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.184 -1.371 . . . . 1.0 110.157 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1838 ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' 1838 ' ' GLN . 0.9 OUTLIER -48.18 -33.2 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.674 -1.148 . . . . 1.0 110.344 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.61 -41.49 83.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.157 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.0 mt -74.03 -34.18 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -75.25 44.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -141.76 -8.43 0.94 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.557 0.343 . . . . 1.0 110.989 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.99 90.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.827 0.346 . . . . 1.0 110.4 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.532 ' O ' ' SD ' ' A' 1846 ' ' MET . 28.1 mt -120.58 152.17 55.14 Favored Pre-proline 0 N--CA 1.468 0.447 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.683 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1845 ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' 1844 ' ' LEU . 18.4 Cg_exo -29.28 89.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 123.029 2.486 . . . . 1.0 113.005 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1846 ' ' MET . . . . . 0.532 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -95.1 127.72 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.408 0.623 . . . . 1.0 110.703 -179.136 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1847 ' ' VAL . . . . . . . . . . . . . 1.4 m -135.01 164.26 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 114.957 -1.019 . . . . 1.0 108.875 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' 1850 ' ' ASP . 37.6 m -51.77 109.61 0.38 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.977 -0.689 . . . . 1.0 109.602 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1849 ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' 1850 ' ' ASP . . . 45.39 -79.94 0.0 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' 1848 ' ' SER . 65.9 m-20 17.73 -130.23 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.54 -179.27 5.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.651 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 35.9 mt -116.61 147.57 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.916 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.47 121.78 16.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.437 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.15 -41.37 99.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.665 -0.243 . . . . 1.0 111.246 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.49 -39.12 56.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.494 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.52 -38.12 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.568 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.1 -44.04 90.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -49.33 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.981 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.95 -47.04 75.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.463 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.43 81.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.012 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.83 -22.84 58.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.536 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 90.2 m -79.01 -34.46 43.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' 1867 ' ' GLY . 35.5 ttpt -76.85 -45.68 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.571 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -52.34 -41.75 63.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.542 . . . . 1.0 111.951 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' 1865 ' ' VAL . 45.8 t -79.84 -14.48 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.904 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 3.1 mt -103.27 -11.97 17.59 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 121.082 -0.247 . . . . 1.0 110.819 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1867 ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' 1863 ' ' LYS . . . 85.84 -170.42 43.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.565 -1.014 . . . . 1.0 110.565 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -84.04 -46.75 11.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.625 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 21.0 t -93.26 34.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -94.41 51.27 2.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -87.38 32.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 1.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 38.5 mtt -82.57 -4.34 57.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.806 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.2 -14.93 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.731 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -88.83 -4.04 58.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1875 ' ' LEU . . . . . 0.549 ' N ' HD22 ' A' 1875 ' ' LEU . 3.3 mm? -89.03 -33.46 17.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.612 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 4.8 ptm85 -80.36 -23.69 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.714 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1877 ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' 1880 ' ' GLU . 96.6 mt -78.45 -15.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -48.25 -34.43 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 48.7 mmm -69.58 -26.75 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' 1877 ' ' ILE . 28.8 mt-10 50.37 21.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' 1882 ' ' ARG . 7.8 pt-20 33.88 41.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.57 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1882 ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' 1881 ' ' GLU . 14.2 ptm180 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1777 ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' 1779 ' ' PHE . 32.3 mt-10 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.831 0.348 . . . . 1.0 110.383 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -56.4 -4.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1779 ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' 1777 ' ' GLU . 91.0 m-85 -71.99 146.73 47.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.566 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' 1782 ' ' ALA . 59.5 p -72.62 73.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.431 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' 1781 ' ' VAL . 15.4 m -71.38 7.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.275 0.56 . . . . 1.0 110.594 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' 1780 ' ' SER . . . -173.34 -136.14 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.489 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.44 128.84 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.204 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.3 -29.89 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.686 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1785 ' ' GLU . . . . . 0.585 ' H ' ' CD ' ' A' 1785 ' ' GLU . 19.1 mp0 -45.59 -45.22 13.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.661 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 7.5 t 60.86 165.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.786 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -170.13 86.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.287 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.43 149.17 70.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.509 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.11 -33.18 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.255 1.97 . . . . 1.0 112.486 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1790 ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' 1790 ' ' LEU . 3.2 tt -82.59 101.28 10.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.763 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1791 ' ' SER . . . . . 0.514 ' N ' ' OD2' ' A' 1794 ' ' ASP . 69.3 m -107.53 179.07 4.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.37 -36.32 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1793 ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' 1793 ' ' ASP . 0.4 OUTLIER -48.56 -33.27 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.734 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1794 ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' 1791 ' ' SER . 4.5 m-20 -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 1.0 110.48 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.18 -49.66 60.51 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.123 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -65.65 -49.07 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.529 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1797 ' ' MET . . . . . 0.46 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.7 tmm? -55.45 -36.81 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.201 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1798 ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.5 t80 -61.76 -41.5 97.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.98 -32.28 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.275 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -60.66 -41.41 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.6 t -76.52 -38.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -56.26 -42.06 76.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.837 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.37 -28.3 58.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.338 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -68.74 -35.41 77.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.415 0.626 . . . . 1.0 111.979 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.47 -5.56 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.959 -1.019 . . . . 1.0 111.522 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 41.2 t0 -157.66 84.73 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.252 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.95 -4.78 12.09 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.176 1.917 . . . . 1.0 111.658 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 45.2 t0 -89.6 -6.18 56.48 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.84 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.45 30.62 18.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 8.2 p -68.87 -31.45 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 75.96 23.63 1.29 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.457 -0.792 . . . . 1.0 110.54 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1812 ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' 1852 ' ' ILE . 1.3 m-85 -131.56 151.07 51.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.2 tt -140.77 149.61 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.124 0.42 . . . . 1.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.24 135.44 36.77 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.087 0.403 . . . . 1.0 112.087 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -52.53 -45.87 66.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.694 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -58.65 -22.7 57.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.037 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1817 ' ' LYS . . . . . 0.426 ' CB ' ' NZ ' ' A' 1817 ' ' LYS . 6.3 ttpm? -107.69 0.05 22.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.026 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.18 -26.66 65.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.866 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 4.4 m -71.68 -35.29 70.25 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.561 -0.455 . . . . 1.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1820 ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' 1820 ' ' ASP . 66.6 t0 -69.21 -25.09 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.562 -0.532 . . . . 1.0 109.562 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.506 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.5 t80 -81.94 -48.09 11.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.815 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.43 -37.21 24.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.25 -0.886 . . . . 1.0 112.183 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -94.06 2.44 56.03 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.97 0.414 . . . . 1.0 110.186 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.55 -24.87 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.162 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.506 HD21 ' CZ ' ' A' 1821 ' ' PHE . 91.3 mt -73.4 168.35 19.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.089 0.471 . . . . 1.0 110.613 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.48 149.22 41.84 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.406 ' HA ' ' H ' ' A' 1829 ' ' LEU . 72.6 Cg_exo -45.74 148.62 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.071 1.181 . . . . 1.0 110.949 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -88.39 46.72 1.12 Allowed 'Cis proline' 0 N--CA 1.501 1.929 0 CA-C-N 119.883 0.994 . . . . 1.0 112.292 -0.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.406 ' H ' ' HA ' ' A' 1827 ' ' PRO . 21.8 mt -131.19 -3.43 3.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.679 0.276 . . . . 1.0 110.822 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 14.8 tp -79.85 123.35 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 1.0 111.767 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.645 HG22 ' OD1' ' A' 1835 ' ' ASN . 16.2 mt -115.63 107.34 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.94 149.26 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.123 0.487 . . . . 1.0 111.182 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -101.26 158.73 31.23 Favored Pre-proline 0 C--N 1.331 -0.239 0 N-CA-C 108.583 -0.895 . . . . 1.0 108.583 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -75.27 121.12 7.19 Favored 'Cis proline' 0 N--CA 1.505 2.148 0 C-N-CA 125.089 -0.796 . . . . 1.0 112.703 -0.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.645 ' OD1' HG22 ' A' 1831 ' ' ILE . 0.1 OUTLIER -140.24 66.78 1.38 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.182 -1.007 . . . . 1.0 112.034 178.152 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 46.0 mttp -83.0 -29.73 28.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.211 1.005 . . . . 1.0 110.099 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 43.0 t -67.58 -32.99 59.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.353 -1.748 . . . . 1.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -68.86 -31.57 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 70.5 mt -79.47 -35.06 40.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.105 -0.952 . . . . 1.0 111.52 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1840 ' ' ILE . . . . . 0.401 ' C ' ' H ' ' A' 1842 ' ' MET . 79.2 mt -73.99 -38.66 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.556 -0.458 . . . . 1.0 109.805 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -74.58 42.07 0.16 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.728 0.299 . . . . 1.0 110.71 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' 1840 ' ' ILE . 41.4 mmm -120.39 -20.6 7.17 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.0 0.429 . . . . 1.0 110.111 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 63.43 15.27 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.716 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' 1860 ' ' ALA . 19.1 mt -56.7 112.86 5.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.609 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1845 ' ' PRO . . . . . 0.497 ' O ' ' SD ' ' A' 1846 ' ' MET . 82.7 Cg_exo -42.53 152.37 0.18 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.199 1.266 . . . . 1.0 111.213 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1846 ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -128.93 175.31 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 1.0 111.149 -178.634 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' 1851 ' ' ARG . 0.4 OUTLIER -137.69 161.57 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.394 -1.336 . . . . 1.0 107.394 176.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.722 ' O ' ' N ' ' A' 1850 ' ' ASP . 6.4 t -45.9 108.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.698 -0.801 . . . . 1.0 109.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1849 ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' 1850 ' ' ASP . . . 43.18 -76.38 0.0 OUTLIER Glycine 0 C--N 1.341 0.845 0 N-CA-C 110.689 -0.964 . . . . 1.0 110.689 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.722 ' N ' ' O ' ' A' 1848 ' ' SER . 69.8 m-20 14.37 -123.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.176 -1.012 . . . . 1.0 113.286 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.479 ' O ' ' CG2' ' A' 1847 ' ' VAL . 0.0 OUTLIER -144.83 -175.62 4.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.984 -178.262 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1852 ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' 1853 ' ' HIS . 18.5 mt -114.15 168.11 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.648 0.737 . . . . 1.0 112.223 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.627 ' N ' HG22 ' A' 1852 ' ' ILE . 0.8 OUTLIER -87.76 122.39 31.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.516 -1.22 . . . . 1.0 111.027 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 5.4 t -58.83 -45.93 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.596 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 56.0 mt -51.73 -39.15 57.93 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.57 -45.0 66.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.15 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -43.86 93.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.226 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1858 ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' 1862 ' ' THR . 24.9 tp -63.55 -50.11 70.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 1.0 111.152 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.16 -50.72 69.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.732 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1860 ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' 1844 ' ' LEU . . . -55.23 -36.23 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.395 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.85 -34.13 60.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.511 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1862 ' ' THR . . . . . 0.447 HG23 ' O ' ' A' 1858 ' ' LEU . 28.8 p -68.84 -33.21 73.43 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.545 -0.462 . . . . 1.0 109.935 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' 1867 ' ' GLY . 59.1 mttm -79.48 -45.18 19.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.043 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -50.92 -41.31 58.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.288 0.566 . . . . 1.0 111.247 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' 1865 ' ' VAL . 61.8 t -79.04 -13.7 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.726 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1866 ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' 1866 ' ' LEU . 0.7 OUTLIER -102.14 -15.15 16.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.73 0.3 . . . . 1.0 111.202 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1867 ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -78.63 -174.66 44.69 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.589 -0.815 . . . . 1.0 111.199 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 55.59 -99.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 1.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 40.3 p -77.95 48.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.015 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -67.05 179.42 13.9 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.643 -0.983 . . . . 1.0 110.643 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -165.58 -34.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 15.1 ttt -64.43 -33.92 76.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 34.8 t70 -68.22 -15.09 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.559 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -76.72 -30.93 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.73 -17.11 56.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.587 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -78.9 -22.51 45.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.37 -19.39 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -77.82 -15.25 59.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 34.3 tpp -72.69 -44.75 61.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.02 -32.07 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -160.94 142.04 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.605 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.33 . . . . 1.0 110.553 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1778 ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' 1780 ' ' SER . 46.1 t30 -76.94 6.59 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1779 ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' 1779 ' ' PHE . 46.1 t80 -77.07 27.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1780 ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' 1778 ' ' ASN . 56.0 p -75.03 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 33.4 m -76.35 -165.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 56.18 43.77 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1783 ' ' THR . . . . . 0.557 HG23 ' N ' ' A' 1784 ' ' GLU . 9.5 t -78.26 -45.07 23.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1784 ' ' GLU . . . . . 0.557 ' N ' HG23 ' A' 1783 ' ' THR . 68.6 tt0 60.21 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1785 ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' 1783 ' ' THR . 42.4 mm-40 -73.61 91.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 79.8 p -79.89 47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -73.14 161.51 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.316 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1788 ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' 1788 ' ' GLU . 4.2 pm0 -47.48 148.37 2.45 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.166 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -37.79 -73.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.409 2.073 . . . . 1.0 112.772 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1790 ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' 1790 ' ' LEU . 0.3 OUTLIER -66.46 169.02 8.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.554 -179.18 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 71.3 p -93.91 179.59 5.29 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.3 0.571 . . . . 1.0 112.137 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.95 -23.23 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.238 -0.892 . . . . 1.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -48.95 -31.1 6.81 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.274 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.75 -42.81 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.148 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.75 -50.08 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.185 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.83 -50.24 51.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.852 0.358 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 33.3 ttp -52.35 -35.39 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.036 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.92 -39.2 93.83 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -70.68 -32.78 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.84 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.39 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.8 t -74.06 -38.33 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 119.714 -0.794 . . . . 1.0 109.193 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -55.13 -43.03 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.143 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.09 -28.71 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.251 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -69.29 -36.02 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.338 0.589 . . . . 1.0 112.448 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -95.57 -8.17 35.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.249 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1806 ' ' ASP . . . . . 0.436 ' OD2' ' OG1' ' A' 1810 ' ' THR . 19.9 t70 -155.01 87.29 3.32 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.815 -0.354 . . . . 1.0 111.437 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -82.72 -6.09 11.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.188 1.925 . . . . 1.0 111.435 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' 1809 ' ' ALA . 50.1 m-20 -88.48 -7.22 56.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1809 ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 64.24 29.88 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 1.0 110.705 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1810 ' ' THR . . . . . 0.436 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 16.1 p -66.43 -31.44 72.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.893 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 75.36 17.05 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.732 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.42 156.31 44.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.42 148.02 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 118.384 0.538 . . . . 1.0 110.045 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.76 142.45 32.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.841 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.55 -46.08 80.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.429 -0.351 . . . . 1.0 111.282 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.32 -23.49 49.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.985 0.421 . . . . 1.0 110.615 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -104.63 -5.1 21.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.817 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.77 -24.13 64.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -35.46 60.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.401 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1820 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1820 ' ' ASP . 13.1 t0 -70.71 -20.74 62.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' 1825 ' ' LEU . 59.9 t80 -83.71 -47.14 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.451 -1.25 . . . . 1.0 111.494 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.75 -37.76 30.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.069 -0.969 . . . . 1.0 112.765 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.31 2.84 55.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.022 0.439 . . . . 1.0 110.031 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.41 -26.15 26.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.497 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' 1821 ' ' PHE . 88.7 mt -70.74 170.38 12.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.972 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 148.37 40.53 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 108.995 -0.742 . . . . 1.0 108.995 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.458 ' HA ' ' H ' ' A' 1829 ' ' LEU . 73.1 Cg_exo -46.48 147.34 4.28 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.526 1.484 . . . . 1.0 111.703 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -88.76 50.8 0.83 Allowed 'Cis proline' 0 N--CA 1.5 1.896 0 CA-C-N 119.861 0.986 . . . . 1.0 112.403 -0.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.458 ' H ' ' HA ' ' A' 1827 ' ' PRO . 68.5 mt -134.43 -6.25 2.58 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.873 0.368 . . . . 1.0 110.527 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' 1825 ' ' LEU . 17.0 tp -79.37 128.0 32.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.49 HD11 ' NH1' ' A' 1864 ' ' ARG . 65.4 mt -114.16 100.92 11.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 105.401 -2.074 . . . . 1.0 105.401 176.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -65.22 15.05 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.111 0.782 . . . . 1.0 113.111 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1833 ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' 1832 ' ' ALA . 20.4 mttm 52.08 162.81 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 118.875 -1.13 . . . . 1.0 108.903 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -90.12 36.46 5.49 Favored 'Cis proline' 0 C--N 1.31 -1.457 0 C-N-CA 125.089 -0.796 . . . . 1.0 113.039 0.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1835 ' ' ASN . . . . . . . . . . . . . 1.2 m120 -73.4 69.01 1.14 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 118.714 -1.194 . . . . 1.0 110.362 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -79.42 -30.89 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.599 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 39.0 t -57.19 -48.21 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 113.393 -1.731 . . . . 1.0 109.655 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -50.41 -28.85 8.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.159 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.49 -38.12 62.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.212 -0.595 . . . . 1.0 109.79 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.1 mt -73.81 -38.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.237 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -49.55 -33.28 14.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 1.0 110.361 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 22.7 mtm -76.62 -32.0 57.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.582 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 38.9 t70 54.23 45.98 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.135 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' 1844 ' ' LEU . 3.8 mp -40.55 145.92 0.48 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.984 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.27 130.06 13.69 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.303 2.002 . . . . 1.0 110.343 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1846 ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -98.1 133.53 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 1.0 110.588 -179.329 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.523 ' O ' ' C ' ' A' 1848 ' ' SER . 31.0 m -99.79 -173.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.162 -1.051 . . . . 1.0 108.162 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.722 ' O ' ' N ' ' A' 1850 ' ' ASP . 1.8 m 6.18 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.065 0.853 . . . . 1.0 112.503 -178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 9.3 -56.64 0.0 OUTLIER Glycine 0 CA--C 1.535 1.298 0 O-C-N 124.855 1.347 . . . . 1.0 115.521 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.722 ' N ' ' O ' ' A' 1848 ' ' SER . 1.5 m-20 -130.46 64.62 1.54 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' 1850 ' ' ASP . 15.5 mtm180 -162.68 137.2 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.425 0.631 . . . . 1.0 112.525 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 20.7 mt -104.52 135.97 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 114.747 -1.115 . . . . 1.0 111.881 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.34 122.95 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.136 -0.938 . . . . 1.0 110.487 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -34.18 77.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.414 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 71.0 mt -51.31 -35.38 37.55 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.574 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.16 -41.32 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.787 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.99 -45.38 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 108.774 -0.825 . . . . 1.0 108.774 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1858 ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' 1862 ' ' THR . 23.8 tp -62.93 -48.59 78.28 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 110.711 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1859 ' ' PHE . . . . . 0.414 ' O ' ' OG1' ' A' 1862 ' ' THR . 18.9 t80 -68.84 -37.23 79.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.474 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.42 -38.85 74.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.546 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1861 ' ' PHE . . . . . 0.605 ' CD2' ' NH2' ' A' 1864 ' ' ARG . 3.5 m-85 -75.04 -21.62 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.263 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1862 ' ' THR . . . . . 0.552 HG23 ' O ' ' A' 1858 ' ' LEU . 10.1 p -77.15 -32.33 56.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.03 0.443 . . . . 1.0 110.282 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -78.43 -45.44 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.039 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1864 ' ' ARG . . . . . 0.605 ' NH2' ' CD2' ' A' 1861 ' ' PHE . 9.6 ttm180 -51.66 -40.95 60.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' 1865 ' ' VAL . 4.4 t -38.32 -50.01 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.792 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1866 ' ' LEU . . . . . 0.707 ' C ' HD13 ' A' 1866 ' ' LEU . 2.5 tm? -92.38 -41.95 10.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -68.25 -178.01 14.15 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 46.13 59.06 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 1.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 6.6 t 179.46 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.57 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1870 ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' 1872 ' ' MET . . . 138.02 -123.16 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 54.28 9.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.722 0.296 . . . . 1.0 110.661 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1872 ' ' MET . . . . . 0.428 ' H ' ' C ' ' A' 1870 ' ' GLY . 15.8 ptt? -90.95 -24.59 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 43.1 t0 -77.82 -21.58 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.711 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.2 60.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1875 ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' 1875 ' ' LEU . 6.4 mp -78.25 -31.05 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -70.36 -29.47 66.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.612 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.73 -27.32 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 12.5 tpt -86.73 54.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.436 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' 1881 ' ' GLU . 18.7 tp10 -160.67 67.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.603 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' 1880 ' ' GLU . 28.9 tt0 59.48 146.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.508 -179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.867 0.365 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.17 113.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 62.0 t80 -171.51 94.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 49.1 m 46.26 87.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.64 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' 1781 ' ' VAL . 4.0 m -80.91 15.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.128 0.49 . . . . 1.0 110.488 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 42.24 90.8 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.52 126.19 30.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 1.0 110.454 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -105.29 18.35 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -69.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.474 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 22.4 t -171.55 46.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . 55.52 106.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1788 ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' A' 1788 ' ' GLU . 2.7 pt-20 -71.3 153.36 94.15 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.068 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -34.64 -67.12 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 122.603 2.202 . . . . 1.0 112.648 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 5.4 mt -144.53 172.24 13.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 8.4 t -120.94 153.74 36.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.186 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.61 -50.95 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 1.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.58 -29.67 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.506 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.31 -43.68 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.677 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -51.3 -49.71 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.3 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -64.94 -43.13 93.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 1.0 110.717 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1797 ' ' MET . . . . . 0.458 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.3 tmm? -60.59 -37.0 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 33.3 t80 -61.2 -41.29 96.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.655 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -73.28 -33.61 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -61.06 -40.02 92.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.0 110.045 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 60.2 t -76.52 -38.16 31.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -56.46 -41.61 76.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.981 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -29.52 64.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.867 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -68.41 -33.57 74.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.483 0.659 . . . . 1.0 112.104 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -96.5 -5.83 38.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.945 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.01 84.0 3.76 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.23 -7.15 12.99 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.341 2.027 . . . . 1.0 111.986 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' 1808 ' ' ASP . 11.7 t70 -88.47 -3.92 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.064 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.88 27.63 16.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 1.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1810 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1811 ' ' GLN . 3.2 p -67.99 -32.62 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.593 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1811 ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' 1810 ' ' THR . 3.2 tp60 78.6 19.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.835 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1812 ' ' PHE . . . . . 0.595 ' CD2' ' NE ' ' A' 1851 ' ' ARG . 22.5 m-85 -130.05 154.43 47.44 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.59 148.16 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 122.054 -0.404 . . . . 1.0 110.082 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -78.92 137.05 37.45 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.666 0.27 . . . . 1.0 111.511 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 48.1 t80 -54.21 -44.54 71.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.264 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.12 -23.22 33.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.372 . . . . 1.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -108.61 3.87 23.36 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.372 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.92 -23.79 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.474 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1819 ' ' SER . . . . . 0.548 ' C ' ' HZ1' ' A' 1833 ' ' LYS . 4.4 m -75.0 -35.44 62.0 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.974 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 52.2 t0 -68.84 -25.13 64.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.469 ' CZ ' HD21 ' A' 1825 ' ' LEU . 67.9 t80 -81.48 -48.52 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.737 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.3 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 1.0 112.137 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.99 2.06 56.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.954 0.407 . . . . 1.0 110.29 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.56 25.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.857 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.469 HD21 ' CZ ' ' A' 1821 ' ' PHE . 88.8 mt -72.68 168.75 18.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.149 0.5 . . . . 1.0 110.613 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -113.02 147.73 37.87 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.408 -0.815 . . . . 1.0 109.391 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.438 ' HA ' ' H ' ' A' 1829 ' ' LEU . 87.5 Cg_exo -43.6 147.43 1.07 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.449 1.433 . . . . 1.0 111.247 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -89.14 49.83 0.92 Allowed 'Cis proline' 0 N--CA 1.503 2.062 0 CA-C-N 119.773 0.955 . . . . 1.0 112.386 0.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' 1827 ' ' PRO . 20.2 mt -133.62 -5.19 2.88 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.522 0.201 . . . . 1.0 111.139 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' 1825 ' ' LEU . 15.7 tp -80.66 128.78 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.899 0.703 . . . . 1.0 112.899 -177.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.486 ' C ' ' H ' ' A' 1833 ' ' LYS . 57.9 mt -115.74 100.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 105.91 -1.885 . . . . 1.0 105.91 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.593 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -66.02 18.41 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1833 ' ' LYS . . . . . 0.593 ' O ' ' O ' ' A' 1832 ' ' ALA . 0.8 OUTLIER 49.45 165.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 119.434 -0.906 . . . . 1.0 108.889 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -87.71 36.25 4.34 Favored 'Cis proline' 0 N--CA 1.49 1.278 0 CA-C-N 119.95 1.018 . . . . 1.0 112.915 0.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1835 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.29 68.79 2.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 118.871 -1.132 . . . . 1.0 110.168 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.78 -31.2 45.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.241 1.02 . . . . 1.0 110.037 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 11.7 t -57.19 -46.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 113.252 -1.794 . . . . 1.0 109.684 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1838 ' ' GLN . . . . . 0.493 ' O ' ' SD ' ' A' 1842 ' ' MET . 71.3 mt-30 -50.63 -30.14 12.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.689 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.65 -37.1 62.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.851 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1840 ' ' ILE . . . . . 0.41 ' C ' ' H ' ' A' 1842 ' ' MET . 8.0 mm -73.55 -38.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.013 -0.675 . . . . 1.0 109.321 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.28 41.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.533 0.206 . . . . 1.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' 1838 ' ' GLN . 0.0 OUTLIER -128.33 -22.36 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 2.1 m-20 63.75 25.28 14.11 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.8 mt -50.22 108.89 1.11 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.353 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -46.13 141.12 9.98 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.039 1.159 . . . . 1.0 110.153 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 16.9 mmt -119.52 124.33 46.15 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.956 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' 1848 ' ' SER . 28.5 m -92.04 -173.99 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.054 -1.462 . . . . 1.0 107.054 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' 1850 ' ' ASP . 3.2 p -24.26 121.07 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.362 0.414 . . . . 1.0 110.998 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1849 ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' 1848 ' ' SER . . . -25.56 -36.78 0.01 OUTLIER Glycine 0 N--CA 1.473 1.14 0 O-C-N 123.555 0.535 . . . . 1.0 112.805 -178.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' 1848 ' ' SER . 3.2 m-20 -41.39 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.64 0.978 . . . . 1.0 113.64 -178.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.595 ' NE ' ' CD2' ' A' 1812 ' ' PHE . 0.0 OUTLIER -141.69 -175.41 4.37 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -176.26 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1852 ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' 1853 ' ' HIS . 3.9 mp -118.25 167.83 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 114.961 -1.018 . . . . 1.0 111.696 -178.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.623 ' N ' HG22 ' A' 1852 ' ' ILE . 2.2 t-80 -84.06 121.14 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.748 -1.114 . . . . 1.0 110.578 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 19.3 t -59.66 -40.74 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.777 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.13 -38.64 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.235 -0.586 . . . . 1.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.49 -42.83 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.17 -44.59 92.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.755 -0.461 . . . . 1.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.72 -50.03 75.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.099 0.476 . . . . 1.0 110.855 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.19 -34.17 77.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.403 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.46 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.207 -0.597 . . . . 1.0 111.083 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1861 ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' 1865 ' ' VAL . 6.9 m-85 -74.77 -21.75 59.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.173 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 98.1 m -80.25 -33.34 37.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.114 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -46.16 17.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -51.47 -41.04 60.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1861 ' ' PHE . 3.1 t -38.06 -48.11 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.001 0.429 . . . . 1.0 110.897 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1866 ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' 1866 ' ' LEU . 0.9 OUTLIER -92.26 -39.81 11.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.489 179.362 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . 43.28 -165.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.204 -0.758 . . . . 1.0 111.204 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 47.26 -97.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 1.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 36.1 m -50.02 -59.1 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 127.97 -78.62 0.38 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.709 -0.957 . . . . 1.0 110.709 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -172.43 -133.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.639 0.257 . . . . 1.0 110.339 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 13.7 mmt -74.54 -17.98 60.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.36 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -73.54 -27.98 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -53.06 -40.48 64.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.369 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.2 -31.06 62.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -68.34 -33.3 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.535 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 83.0 mt -80.69 -16.88 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1878 ' ' GLN . . . . . 0.482 ' C ' ' H ' ' A' 1880 ' ' GLU . 61.6 tt0 -54.26 -19.12 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 19.9 mmt -59.89 -1.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1880 ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' 1878 ' ' GLN . 14.7 tp10 46.88 35.87 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 1.0 110.093 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -171.4 -104.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.184 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 . . . . . 0 C--N 1.322 -0.605 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.464 179.918 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.877 0.37 . . . . 1.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -156.31 -82.79 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.449 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.01 136.58 34.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.488 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 6.0 t -163.26 76.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1781 ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' 1782 ' ' ALA . 23.2 m 36.39 -149.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.24 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1782 ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' 1781 ' ' VAL . . . 65.88 80.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.621 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1783 ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' 1785 ' ' GLU . 2.6 p -111.65 111.98 23.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1784 ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' 1784 ' ' GLU . 38.1 mp0 -75.55 38.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.353 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1785 ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' 1783 ' ' THR . 37.9 mt-10 -150.15 17.51 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.456 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 8.8 t -146.7 86.02 1.65 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.612 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -47.69 166.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.087 0.47 . . . . 1.0 110.568 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -44.65 115.48 2.37 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.598 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.52 -158.64 0.1 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.786 1.657 . . . . 1.0 111.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1790 ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' 1790 ' ' LEU . 2.1 tt -85.84 96.44 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 1.0 110.069 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 45.0 m -104.87 179.52 4.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.712 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.53 -32.19 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 24.1 t0 -48.57 -31.4 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 1.0 110.448 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.77 -44.78 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.494 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.74 -48.79 58.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.393 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.63 -52.99 31.69 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.283 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 1.5 ptt? -53.32 -36.29 61.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 1.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 27.6 t80 -62.78 -41.19 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -70.28 -31.01 68.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.852 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.93 -40.36 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.297 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.0 t -77.75 -38.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -53.98 -44.39 70.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.023 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -54.01 -28.21 36.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.553 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 51.8 mttm -70.84 -35.45 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1805 ' ' PHE . . . . . 0.428 ' O ' ' OD1' ' A' 1806 ' ' ASP . 44.9 m-85 -95.57 -7.82 36.77 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1806 ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' 1805 ' ' PHE . 4.8 m-20 -159.94 87.57 1.95 Allowed Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 120.62 -0.432 . . . . 1.0 111.633 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -83.44 -2.24 10.47 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.5 2.133 . . . . 1.0 111.828 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.27 -6.48 56.74 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.245 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.03 29.48 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.236 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.1 p -68.18 -32.52 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1811 ' ' GLN . . . . . 0.425 ' HB2' ' HE2' ' A' 1853 ' ' HIS . 32.9 mt-30 75.02 21.26 2.0 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -128.98 152.55 48.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.1 tt -144.41 145.71 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.37 143.27 35.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.096 -0.642 . . . . 1.0 111.586 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.41 -44.46 76.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.293 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.06 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.202 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.76 -2.23 25.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.643 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.3 tp -68.4 -48.71 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.539 . . . . 1.0 111.251 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.2 m -50.58 -34.54 26.17 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.509 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.69 -60.55 2.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.555 ' CZ ' HD21 ' A' 1825 ' ' LEU . 54.8 t80 -46.44 -43.72 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.98 -36.78 29.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.25 -0.887 . . . . 1.0 111.922 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1823 ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' 1833 ' ' LYS . 1.9 m-20 -95.91 3.04 53.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.235 0.541 . . . . 1.0 110.056 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -87.86 -23.23 24.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.917 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.555 HD21 ' CZ ' ' A' 1821 ' ' PHE . 85.2 mt -72.94 170.54 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.344 0.592 . . . . 1.0 110.736 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.95 154.62 47.04 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.258 -0.883 . . . . 1.0 108.695 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' 1829 ' ' LEU . 12.4 Cg_endo -55.63 148.25 55.25 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.757 1.638 . . . . 1.0 110.637 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.33 48.43 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.924 0 CA-C-N 119.81 0.968 . . . . 1.0 113.057 0.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' 1827 ' ' PRO . 14.3 mt -132.2 -3.68 3.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.258 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.95 123.31 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.483 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.569 HG22 ' OD1' ' A' 1835 ' ' ASN . 20.7 mt -115.73 106.98 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 N-CA-C 107.623 -1.251 . . . . 1.0 107.623 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -57.16 149.56 19.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.177 0.513 . . . . 1.0 111.524 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1833 ' ' LYS . . . . . 0.488 ' N ' ' OD2' ' A' 1823 ' ' ASP . 8.7 ptmm? -102.22 152.56 38.29 Favored Pre-proline 0 N--CA 1.462 0.167 0 N-CA-C 108.731 -0.84 . . . . 1.0 108.731 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.94 128.07 15.65 Favored 'Cis proline' 0 N--CA 1.505 2.171 0 CA-C-N 119.876 0.991 . . . . 1.0 113.363 0.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.629 ' C ' HD22 ' A' 1835 ' ' ASN . 0.2 OUTLIER -144.24 65.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.163 -1.015 . . . . 1.0 111.37 176.686 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -83.5 -32.05 26.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.847 0.832 . . . . 1.0 110.66 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.5 t -69.25 -31.92 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.114 -1.403 . . . . 1.0 110.685 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1838 ' ' GLN . . . . . 0.472 ' O ' ' SD ' ' A' 1842 ' ' MET . 18.7 mm100 -68.94 -31.39 70.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.283 0.563 . . . . 1.0 109.528 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 85.3 mt -79.29 -33.71 43.08 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.245 -0.889 . . . . 1.0 111.123 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 74.2 mt -73.15 -41.52 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.459 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -77.73 43.37 0.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.209 0.528 . . . . 1.0 110.346 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1842 ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' 1838 ' ' GLN . 79.5 mtp -137.71 -2.79 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.544 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 37.06 31.68 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.76 0.314 . . . . 1.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1844 ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' 1842 ' ' MET . 2.6 mt -36.59 100.81 0.21 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.76 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.22 118.17 3.04 Favored 'Trans proline' 0 N--CA 1.487 1.145 0 C-N-CA 121.468 1.445 . . . . 1.0 110.608 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 25.9 mtt -101.12 138.61 37.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.236 0.541 . . . . 1.0 110.823 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.512 ' O ' ' C ' ' A' 1848 ' ' SER . 0.2 OUTLIER -80.29 -177.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.079 -1.082 . . . . 1.0 108.079 178.801 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' 1850 ' ' ASP . 75.7 m 2.19 110.09 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.479 0 O-C-N 124.259 0.974 . . . . 1.0 113.569 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 30.57 -52.57 0.0 OUTLIER Glycine 0 CA--C 1.546 1.989 0 N-CA-C 117.0 1.56 . . . . 1.0 117.0 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.744 ' N ' ' O ' ' A' 1848 ' ' SER . 4.8 p-10 -152.63 78.21 1.19 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 117.28 0.54 . . . . 1.0 111.577 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1851 ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' 1847 ' ' VAL . 24.5 ttp180 -168.63 138.88 2.43 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.753 -0.379 . . . . 1.0 111.353 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1852 ' ' ILE . . . . . 0.42 HD13 HG21 ' A' 1852 ' ' ILE . 0.4 OUTLIER -113.52 143.49 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.425 ' HE2' ' HB2' ' A' 1811 ' ' GLN . 16.4 t-80 -104.2 151.61 23.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.372 0.606 . . . . 1.0 110.766 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.0 t -55.39 -31.15 61.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.158 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 73.3 mt -72.33 -35.34 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.649 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.52 -41.53 69.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.0 110.325 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.31 -41.08 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.593 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.28 -49.88 73.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.167 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.4 t80 -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.732 0.271 . . . . 1.0 111.732 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.0 110.886 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.35 -22.54 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.839 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.8 m -79.19 -33.88 43.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.244 -0.651 . . . . 1.0 109.244 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' 1867 ' ' GLY . 17.4 ttpp -73.96 -48.61 29.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.232 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.83 -41.67 64.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.167 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' 1865 ' ' VAL . 93.4 t -82.16 -14.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.846 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 7.1 tt -104.34 -17.82 14.67 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.737 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1867 ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -82.08 13.45 38.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -80.72 -13.78 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 1.0 110.667 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 14.4 m -160.6 -20.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 74.27 163.04 9.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -163.58 -25.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.987 0.422 . . . . 1.0 110.47 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 19.8 ptm -89.55 -11.16 43.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.43 -29.08 28.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.653 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.74 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.81 -16.61 62.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -78.93 -28.17 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1877 ' ' ILE . . . . . 0.715 ' N ' HD12 ' A' 1877 ' ' ILE . 1.7 mp -78.37 -12.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.23 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -68.66 -28.41 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1879 ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' 1881 ' ' GLU . 13.3 ptt? -160.71 57.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.34 68.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1881 ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' 1879 ' ' MET . 30.2 tt0 -71.37 107.35 4.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.573 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 1.0 110.539 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 29.8 t30 -78.19 -10.16 59.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -85.72 -173.54 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 23.8 t -63.84 149.84 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 23.9 m -75.62 -176.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -165.42 80.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1783 ' ' THR . . . . . 0.409 HG22 ' H ' ' A' 1783 ' ' THR . 0.1 OUTLIER -70.84 -51.06 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.506 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -136.09 -77.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1785 ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' 1786 ' ' SER . 9.7 tm-20 -161.14 101.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.46 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1786 ' ' SER . . . . . 0.425 ' O ' ' OE2' ' A' 1785 ' ' GLU . 12.8 p -77.4 140.57 39.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -155.55 143.43 19.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -76.58 150.51 82.14 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.355 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.39 -51.28 1.64 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 122.28 1.987 . . . . 1.0 112.476 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.71 128.13 53.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.517 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1791 ' ' SER . . . . . 0.464 ' O ' ' OD2' ' A' 1794 ' ' ASP . 70.1 p -114.45 162.17 17.02 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.123 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -42.97 -37.9 2.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.216 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 47.5 t0 -48.39 -34.47 10.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.471 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1794 ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' 1795 ' ' PHE . 0.6 OUTLIER -70.85 -43.95 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.688 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1795 ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' 1794 ' ' ASP . 8.9 m-85 -50.95 -47.74 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.796 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -68.91 -53.02 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 4.2 ptt? -54.26 -35.52 62.61 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.915 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 35.7 t80 -64.38 -40.06 95.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.519 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.54 -30.78 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.25 -43.34 99.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.5 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 19.5 t -74.36 -38.15 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.913 -0.773 . . . . 1.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -56.52 -42.59 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.951 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.92 -27.57 61.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.494 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.34 -34.15 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.404 0.621 . . . . 1.0 112.297 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -98.13 -5.52 33.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.013 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -155.36 83.84 3.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.954 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.05 -6.37 12.17 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.284 1.989 . . . . 1.0 111.974 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1808 ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' 1808 ' ' ASP . 4.6 m-20 -88.87 -6.96 56.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.317 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1809 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 63.77 29.53 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 1.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 4.4 p -68.65 -31.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1811 ' ' GLN . . . . . 0.49 ' O ' ' SG ' ' A' 1854 ' ' CYS . 9.2 mt-30 77.26 20.16 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.682 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -131.46 155.09 47.96 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.168 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.37 147.28 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 109.744 -0.465 . . . . 1.0 109.744 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.41 142.78 32.66 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.537 -0.465 . . . . 1.0 111.088 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.54 -44.64 81.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.04 36.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 1.0 110.815 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 48.4 mttm -107.25 -0.39 22.62 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.008 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.8 tp -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.574 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 t -73.53 -35.5 65.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.369 -0.532 . . . . 1.0 110.348 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.45 -24.85 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1821 ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' 1825 ' ' LEU . 60.9 t80 -81.61 -48.2 12.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.505 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.76 26.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.507 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 11.7 p30 -92.96 1.32 57.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.956 0.408 . . . . 1.0 110.053 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.85 -24.72 24.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.501 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1825 ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' 1821 ' ' PHE . 95.3 mt -71.34 172.64 9.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.245 0.545 . . . . 1.0 110.866 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1826 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.0 OUTLIER -115.98 156.28 46.9 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 108.493 -0.929 . . . . 1.0 108.493 178.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1827 ' ' PRO . . . . . 0.468 ' HA ' ' H ' ' A' 1829 ' ' LEU . 18.0 Cg_endo -59.17 147.88 88.45 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.078 1.852 . . . . 1.0 110.646 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -88.55 50.2 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.944 0 CA-C-N 119.715 0.934 . . . . 1.0 113.136 0.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1829 ' ' LEU . . . . . 0.468 ' H ' ' HA ' ' A' 1827 ' ' PRO . 6.2 mt -133.35 -6.55 2.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.856 0.36 . . . . 1.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1830 ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' 1831 ' ' ILE . 10.8 tp -76.82 126.79 31.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.574 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1831 ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' 1830 ' ' LEU . 92.3 mt -116.96 105.0 17.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1832 ' ' ALA . . . . . 0.513 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -103.07 113.99 27.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.179 0.99 . . . . 1.0 110.619 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1833 ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' 1832 ' ' ALA . 1.1 mttp -32.16 157.98 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 112.461 -2.154 . . . . 1.0 110.385 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.52 90.02 0.12 OUTLIER 'Cis proline' 0 N--CA 1.495 1.601 0 N-CA-C 115.528 1.318 . . . . 1.0 115.528 1.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1835 ' ' ASN . . . . . 0.512 ' H ' ' HA ' ' A' 1833 ' ' LYS . 0.9 OUTLIER -144.84 64.3 1.29 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.575 0.702 . . . . 1.0 109.54 175.431 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -84.5 -35.5 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.674 -1.148 . . . . 1.0 111.634 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1837 ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' 1837 ' ' VAL . 7.8 t -52.23 -49.07 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 114.112 -1.404 . . . . 1.0 110.378 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1838 ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' 1838 ' ' GLN . 4.5 mp0 -48.61 -32.53 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.241 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.45 -42.33 87.77 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.24 -37.2 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.95 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.279 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 4.1 mtp -75.64 -28.64 58.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.68 0.276 . . . . 1.0 110.824 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.9 41.36 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 1.0 110.019 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.41 107.89 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -42.52 132.78 5.19 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.746 1.631 . . . . 1.0 111.389 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.63 131.01 54.84 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.312 0.577 . . . . 1.0 111.277 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1847 ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -89.26 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.171 -0.922 . . . . 1.0 108.948 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1848 ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' 1850 ' ' ASP . 3.9 m 3.12 115.0 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.539 1.15 . . . . 1.0 112.687 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 7.23 -51.82 0.0 OUTLIER Glycine 0 CA--C 1.542 1.72 0 O-C-N 124.458 1.099 . . . . 1.0 115.809 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1850 ' ' ASP . . . . . 0.782 ' N ' ' O ' ' A' 1848 ' ' SER . 25.7 p30 -132.3 65.93 1.57 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 117.482 0.641 . . . . 1.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -168.57 139.11 2.5 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.246 -0.581 . . . . 1.0 112.471 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1852 ' ' ILE . . . . . 0.587 HG22 ' N ' ' A' 1853 ' ' HIS . 39.8 mt -102.54 163.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 116.05 -0.523 . . . . 1.0 112.238 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1853 ' ' HIS . . . . . 0.587 ' N ' HG22 ' A' 1852 ' ' ILE . 2.8 t-80 -103.62 121.77 43.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.326 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1854 ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' 1811 ' ' GLN . 6.2 p -57.51 -46.44 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.704 -0.225 . . . . 1.0 110.768 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 24.4 mt -51.42 -38.51 53.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.813 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.63 -46.77 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.065 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.4 mt -57.95 -44.6 87.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1858 ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' 1862 ' ' THR . 24.5 tp -64.08 -50.04 69.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 1.0 110.978 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -68.52 -36.36 78.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.779 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.47 -39.44 74.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.411 -0.515 . . . . 1.0 111.063 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1861 ' ' PHE . . . . . 0.491 ' O ' HG22 ' A' 1865 ' ' VAL . 5.2 m-85 -73.7 -22.35 59.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.078 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1862 ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' 1858 ' ' LEU . 24.9 m -79.31 -32.0 43.36 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.098 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1863 ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' 1867 ' ' GLY . 26.8 mmtm -77.64 -44.21 28.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.828 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -52.54 -40.94 63.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.463 0.649 . . . . 1.0 111.256 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1865 ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' 1861 ' ' PHE . 27.6 m -81.09 -15.16 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.47 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1866 ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' 1866 ' ' LEU . 1.0 OUTLIER -104.58 -20.13 13.77 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.695 0.283 . . . . 1.0 111.482 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1867 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 1863 ' ' LYS . . . 84.22 157.76 26.62 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.4 -15.49 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 1.0 110.724 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 34.7 t -53.76 -40.28 66.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 63.69 67.91 1.87 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.4 -11.0 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 1.0 110.546 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1872 ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' 1872 ' ' MET . 1.8 tmt? -73.85 -33.42 64.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.529 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -21.0 21.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -81.36 -44.9 16.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 7.9 tt -52.6 -34.68 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.444 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -76.34 -48.61 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.665 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.86 -19.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.84 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.481 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 31.6 tpp -85.35 51.03 2.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.71 -49.03 8.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.14 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.396 -179.897 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . 0.525 ' N ' ' OD2' ' A' 1794 ' ' ASP . 24.2 t . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.9 0.381 . . . . 1.0 110.539 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' 1792 ' ' GLU . 2.9 mp0 -60.24 -36.66 78.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -48.43 -28.07 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' 1791 ' ' SER . 8.4 m-20 -78.49 -43.01 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.425 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -51.6 -50.18 60.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.639 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.24 -44.15 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.74 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' 1797 ' ' MET . 15.6 tmm? -58.28 -35.95 72.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.442 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.7 t80 -61.84 -41.09 97.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -69.62 -31.88 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.49 -43.51 96.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.412 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 18.6 t -76.33 -38.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 119.966 -0.694 . . . . 1.0 109.257 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -54.19 -43.27 70.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.554 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.33 -30.04 59.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.735 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 48.8 mttm -69.83 -34.98 74.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.392 0.615 . . . . 1.0 112.421 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -95.95 -7.79 35.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.003 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -159.01 87.67 2.18 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.527 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.79 -2.58 10.96 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.388 2.059 . . . . 1.0 111.484 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -87.39 -8.56 56.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.326 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.29 29.11 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.301 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . 0.455 HG23 ' H ' ' A' 1812 ' ' PHE . 1.3 t -68.29 -31.93 71.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.122 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 74.67 20.28 2.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.294 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . 0.455 ' H ' HG23 ' A' 1810 ' ' THR . 78.5 m-85 -130.76 153.62 48.84 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.16 148.18 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 118.852 0.751 . . . . 1.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.88 143.43 31.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' 1815 ' ' PHE . 25.3 t80 -58.48 -44.28 89.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.676 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.67 35.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.41 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -104.16 -4.05 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.001 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.0 tp -68.43 -49.18 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.199 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.2 p -50.11 -34.21 21.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.117 -0.633 . . . . 1.0 110.273 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' 1820 ' ' ASP . 0.5 OUTLIER -71.75 -60.71 2.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' 1825 ' ' LEU . 59.8 t80 -46.86 -44.93 19.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.633 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.17 21.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.24 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' A' 1833 ' ' LYS . 1.1 p30 -96.45 4.67 51.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.371 0.605 . . . . 1.0 109.964 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -88.82 -22.71 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.907 -1.042 . . . . 1.0 110.287 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' 1821 ' ' PHE . 90.7 mt -72.76 168.05 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.189 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -114.0 150.31 43.32 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.023 -0.732 . . . . 1.0 109.023 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.41 ' HA ' ' H ' ' A' 1829 ' ' LEU . 71.4 Cg_exo -47.35 148.19 5.25 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 120.939 1.092 . . . . 1.0 110.867 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -88.29 46.76 1.1 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.9 1.0 . . . . 1.0 112.357 -0.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.41 ' H ' ' HA ' ' A' 1827 ' ' PRO . 20.0 mt -132.17 -3.3 3.51 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.94 0.4 . . . . 1.0 110.704 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' 1831 ' ' ILE . 16.6 tp -80.9 124.05 28.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 1.0 112.399 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' 1830 ' ' LEU . 64.7 mt -113.91 104.89 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 106.797 -1.557 . . . . 1.0 106.797 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.552 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.8 151.41 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 1.0 111.661 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' A' 1823 ' ' ASP . 0.0 OUTLIER -89.66 160.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 107.048 -1.464 . . . . 1.0 107.048 177.34 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1836 ' ' LYS . 40.2 Cg_endo -88.77 38.56 3.48 Favored 'Cis proline' 0 N--CA 1.496 1.661 0 C-N-CA 124.822 -0.907 . . . . 1.0 114.111 1.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' 1832 ' ' ALA . 74.5 m-20 -67.91 69.68 0.13 Allowed 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.884 -1.126 . . . . 1.0 111.261 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' 1834 ' ' PRO . 3.2 ttmp? -80.32 -33.65 37.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.227 -0.897 . . . . 1.0 111.188 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 24.3 t -60.93 -48.85 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.232 -1.349 . . . . 1.0 110.034 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . 0.414 ' NE2' HH22 ' A' 1864 ' ' ARG . 20.8 mt-30 -49.81 -25.61 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.022 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 15.4 mt -77.11 -36.48 55.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.517 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.94 -40.31 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.24 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.515 0.326 . . . . 1.0 110.798 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . 0.503 ' SD ' ' O ' ' A' 1842 ' ' MET . 3.2 ppp? . . . . . 0 N--CA 1.468 0.438 0 CA-C-O 120.623 0.249 . . . . 1.0 110.432 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 13.9 mt . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.517 0.675 . . . . 1.0 112.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -83.68 125.41 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.514 -1.221 . . . . 1.0 112.249 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 52.6 t -60.62 -43.76 97.12 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.248 -0.181 . . . . 1.0 110.617 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.88 -36.61 62.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.063 -0.655 . . . . 1.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.92 -45.09 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.202 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.57 -44.27 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.25 -49.31 76.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.432 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -51.63 64.17 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.437 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -53.99 -35.47 61.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.049 -0.661 . . . . 1.0 110.756 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.29 -26.92 60.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.568 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.6 p -77.13 -35.65 56.07 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -73.75 -49.05 27.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.324 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . 0.414 HH22 ' NE2' ' A' 1838 ' ' GLN . 50.0 ttt180 -52.58 -41.55 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.428 0.632 . . . . 1.0 111.629 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1865 ' ' VAL . 87.7 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 114.942 -1.026 . . . . 1.0 110.94 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 57.9 m . . . . . 0 CA--C 1.521 -0.153 0 CA-C-O 120.874 0.369 . . . . 1.0 110.113 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.76 -30.51 63.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.38 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.43 -29.09 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.627 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.73 -43.37 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -50.8 -49.18 59.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.985 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.86 -48.9 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' 1797 ' ' MET . 17.5 tmm? -55.58 -36.6 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.473 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.4 t80 -61.92 -42.33 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.476 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.56 -31.89 69.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 1.0 110.042 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.55 -40.93 88.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.153 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 26.3 t -78.06 -38.97 24.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -54.6 -42.97 71.76 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.108 -0.637 . . . . 1.0 110.715 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -55.33 -29.92 59.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.494 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -68.1 -35.3 77.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.369 0.604 . . . . 1.0 112.422 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -96.48 -6.75 36.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.842 -1.072 . . . . 1.0 111.297 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -157.11 86.01 2.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.29 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -82.5 -5.01 11.73 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.279 1.986 . . . . 1.0 111.848 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.68 -4.91 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.182 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.59 28.41 16.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 2.8 p -68.54 -31.56 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.229 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 73.64 22.15 2.66 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.998 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -130.56 152.93 49.4 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.46 146.27 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.77 0.714 . . . . 1.0 109.714 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.33 144.27 30.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -58.14 -43.96 87.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.971 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -53.58 -25.32 16.76 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.315 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.1 3.7 22.25 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.432 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.1 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.218 -0.593 . . . . 1.0 109.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.1 p -66.63 -34.85 78.78 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.6 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.63 -24.02 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' 1825 ' ' LEU . 51.6 t80 -82.3 -47.73 12.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.902 -1.044 . . . . 1.0 111.066 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.82 31.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.352 -0.84 . . . . 1.0 112.55 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' 1823 ' ' ASP . 7.6 t0 -94.28 2.41 55.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.028 0.442 . . . . 1.0 110.136 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.64 26.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.086 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' 1821 ' ' PHE . 84.2 mt -72.53 168.92 17.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 1.0 110.804 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -115.14 149.99 43.56 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.477 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.434 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.3 Cg_exo -45.25 148.42 1.9 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.448 1.432 . . . . 1.0 111.518 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -89.55 49.49 0.98 Allowed 'Cis proline' 0 N--CA 1.5 1.887 0 CA-C-N 119.777 0.956 . . . . 1.0 111.99 -0.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.434 ' H ' ' HA ' ' A' 1827 ' ' PRO . 95.9 mt -132.22 -2.84 3.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.214 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 19.9 tp -82.37 122.85 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 1.0 112.357 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.48 ' CG2' ' OD1' ' A' 1835 ' ' ASN . 16.0 mt -112.31 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.01 152.38 16.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.141 0.496 . . . . 1.0 112.113 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.454 ' HA ' HD22 ' A' 1835 ' ' ASN . 32.1 mttm -96.01 156.82 36.71 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 108.787 -0.82 . . . . 1.0 108.787 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.06 118.45 5.78 Favored 'Cis proline' 0 N--CA 1.499 1.837 0 C-N-CA 124.294 -1.128 . . . . 1.0 112.647 0.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.78 HD22 ' H ' ' A' 1835 ' ' ASN . 0.0 OUTLIER -138.73 67.11 1.41 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.889 -0.724 . . . . 1.0 111.447 178.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -83.8 -34.49 24.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.077 0.942 . . . . 1.0 110.507 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 12.1 t -63.62 -47.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 113.634 -1.621 . . . . 1.0 110.165 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -50.34 -26.28 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.193 -0.603 . . . . 1.0 109.552 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.68 -35.6 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.114 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 77.5 mt -74.75 -41.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.386 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.18 -28.19 64.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.416 -0.178 . . . . 1.0 110.765 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 32.4 ttp . . . . . 0 N--CA 1.466 0.338 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 -179.927 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 27.3 mt . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.162 0.506 . . . . 1.0 111.569 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -82.81 123.76 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 1.0 111.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 29.7 t -63.34 -35.76 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.478 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.45 -39.43 79.84 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.236 -0.586 . . . . 1.0 109.484 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.44 -44.75 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.267 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.07 -44.97 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.59 -49.69 74.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 1.0 111.387 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 18.0 t80 -70.12 -36.3 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.33 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.956 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' 1865 ' ' VAL . 4.8 m-85 -75.19 -21.52 58.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.94 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.7 m -77.63 -32.95 53.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.0 0.428 . . . . 1.0 110.277 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -79.17 -46.04 18.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -51.02 -41.44 59.81 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.5 0.556 . . . . 1.0 112.5 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 1861 ' ' PHE . 3.3 t . . . . . 0 N--CA 1.466 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.872 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.465 0.317 0 CA-C-O 120.829 0.347 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.99 -32.48 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.626 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' 1794 ' ' ASP . 28.4 p-10 -48.36 -28.83 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.469 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.0 m-20 -78.13 -42.99 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.458 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -51.26 -49.85 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.235 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.85 -51.06 52.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 38.7 ttp -52.64 -35.36 54.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.6 -39.9 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.448 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -70.39 -31.51 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.026 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -60.51 -45.57 93.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 1.0 110.275 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.6 t -72.48 -38.74 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 119.842 -0.743 . . . . 1.0 109.211 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.13 -42.14 76.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.383 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -56.72 -28.58 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.461 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 53.1 mttm -68.62 -34.65 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 1.0 112.359 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -98.05 -4.76 35.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.089 -0.96 . . . . 1.0 111.093 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 38.0 t0 -154.75 82.82 4.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.58 -7.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.214 1.943 . . . . 1.0 111.882 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.86 -4.92 58.82 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.262 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.43 26.78 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 13.7 p -66.38 -31.31 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 75.7 20.53 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.648 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -130.76 155.9 45.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.081 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.43 147.16 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -80.35 141.02 35.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.793 0.33 . . . . 1.0 111.161 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.99 -45.22 79.05 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.397 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.28 -23.81 38.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 1.0 110.726 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -107.28 0.38 23.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.103 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.67 -24.67 63.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.85 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . 0.503 ' OG ' ' NZ ' ' A' 1836 ' ' LYS . 60.9 m -74.43 -34.93 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 58.0 t0 -68.97 -22.5 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.52 ' CZ ' HD21 ' A' 1825 ' ' LEU . 56.8 t80 -82.81 -47.39 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.666 -1.152 . . . . 1.0 111.02 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.77 34.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.578 -0.737 . . . . 1.0 112.539 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -93.72 1.95 56.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.926 0.393 . . . . 1.0 110.137 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.77 -26.36 27.62 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.145 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.52 HD21 ' CZ ' ' A' 1821 ' ' PHE . 79.0 mt -72.67 164.72 26.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.127 0.489 . . . . 1.0 110.7 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.1 OUTLIER -110.71 152.56 43.55 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.07 178.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.408 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.4 Cg_exo -46.46 146.83 4.69 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.035 1.157 . . . . 1.0 110.81 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -88.77 47.33 1.09 Allowed 'Cis proline' 0 N--CA 1.502 2.004 0 CA-C-N 120.011 1.04 . . . . 1.0 112.078 0.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.408 ' H ' ' HA ' ' A' 1827 ' ' PRO . 80.1 mt -131.79 -3.06 3.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.912 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.4 tp -81.56 122.64 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.509 . . . . 1.0 112.167 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.459 ' CG2' ' ND2' ' A' 1835 ' ' ASN . 67.7 mt -115.27 106.45 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 107.663 -1.236 . . . . 1.0 107.663 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.92 150.73 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.651 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.23 159.27 30.56 Favored Pre-proline 0 N--CA 1.464 0.236 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.49 121.16 7.76 Favored 'Cis proline' 0 N--CA 1.502 2.028 0 C-N-CA 124.41 -1.079 . . . . 1.0 112.416 0.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.459 ' ND2' ' CG2' ' A' 1831 ' ' ILE . 15.6 p-10 -138.09 67.56 1.41 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.332 -0.947 . . . . 1.0 112.327 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . 0.503 ' NZ ' ' OG ' ' A' 1819 ' ' SER . 15.1 tptt -82.95 -32.73 26.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.955 0.883 . . . . 1.0 110.132 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.2 t -68.4 -31.42 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 113.702 -1.59 . . . . 1.0 110.268 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -67.1 -30.1 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 1.0 109.228 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -79.83 -33.63 40.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.648 -1.16 . . . . 1.0 111.333 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . 0.461 ' C ' ' H ' ' A' 1842 ' ' MET . 85.9 mt -74.49 -41.47 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 120.593 -0.443 . . . . 1.0 110.564 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -71.77 40.01 0.07 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.154 -0.341 . . . . 1.0 111.157 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . 0.461 ' H ' ' C ' ' A' 1840 ' ' ILE . 1.9 ppp? . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 1.0 109.831 178.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' 1853 ' ' HIS . 11.0 mt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 112.29 0.478 . . . . 1.0 112.29 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.494 ' N ' HG22 ' A' 1852 ' ' ILE . 2.5 t-80 -103.8 122.63 45.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.065 -0.971 . . . . 1.0 111.045 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 8.3 t -61.85 -43.51 98.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.934 -0.121 . . . . 1.0 111.139 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.58 -37.8 51.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.5 -44.89 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -46.08 85.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.528 -0.305 . . . . 1.0 110.588 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.45 -50.36 74.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.119 0.485 . . . . 1.0 111.102 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.93 -34.03 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.682 -0.69 . . . . 1.0 111.572 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.92 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.926 -0.71 . . . . 1.0 111.265 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -75.11 -26.14 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.734 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.2 m -74.08 -34.26 63.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.042 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . 0.444 ' NZ ' ' CB ' ' A' 1863 ' ' LYS . 6.6 ttpm? -77.83 -45.82 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.4 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -51.78 -41.64 61.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.276 0.56 . . . . 1.0 111.458 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' 1865 ' ' VAL . 94.3 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.099 -0.955 . . . . 1.0 110.682 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.464 0.248 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . 0.586 ' H ' ' CD ' ' A' 1792 ' ' GLU . 5.1 mp0 -70.16 -38.64 75.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 1.0 110.255 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -48.45 -28.55 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.1 -45.8 46.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.428 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -50.12 -48.87 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.051 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.59 -52.43 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -37.35 69.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.506 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.8 t80 -62.65 -42.38 99.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.76 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -71.61 -31.19 66.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.45 -41.65 97.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.147 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 42.3 t -74.76 -38.81 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -58.85 -39.64 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.628 -0.829 . . . . 1.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.33 -30.76 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.458 . . . . 1.0 112.235 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -68.7 -27.33 65.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.54 0.686 . . . . 1.0 110.692 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -67.07 -73.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.791 -1.095 . . . . 1.0 111.353 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.41 115.94 33.85 Favored Pre-proline 0 CA--C 1.54 0.582 0 O-C-N 122.365 -0.209 . . . . 1.0 110.578 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -80.84 6.44 5.52 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.081 1.854 . . . . 1.0 112.057 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' 1809 ' ' ALA . 59.7 m-20 -81.06 -18.95 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.168 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 70.89 27.31 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 1.0 110.237 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1811 ' ' GLN . 12.3 p -67.37 -32.91 74.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.674 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 1810 ' ' THR . 1.6 tp-100 78.94 18.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -127.59 154.91 44.64 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.709 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.2 tt -140.49 147.05 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -78.23 135.09 37.52 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.482 0.549 . . . . 1.0 112.482 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.92 -44.42 66.98 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.996 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.73 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.089 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -112.03 6.7 19.46 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.418 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.42 -29.34 67.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.829 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.4 p -67.56 -34.67 77.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.62 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.89 -26.11 65.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.496 ' CZ ' HD21 ' A' 1825 ' ' LEU . 63.5 t80 -79.58 -48.65 13.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.623 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.3 -37.34 35.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.237 -0.892 . . . . 1.0 112.099 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.73 1.2 56.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.884 0.373 . . . . 1.0 110.486 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.88 -24.15 24.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.146 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' 1821 ' ' PHE . 86.7 mt -75.03 166.71 23.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.663 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.99 150.02 41.76 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.154 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.422 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.6 Cg_exo -45.92 148.9 2.45 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.247 1.298 . . . . 1.0 111.021 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -88.23 47.28 1.03 Allowed 'Cis proline' 0 N--CA 1.5 1.876 0 CA-C-N 119.72 0.936 . . . . 1.0 112.188 -0.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.422 ' H ' ' HA ' ' A' 1827 ' ' PRO . 10.5 mt -131.61 -3.75 3.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.541 0.21 . . . . 1.0 110.732 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' 1831 ' ' ILE . 13.8 tp -80.89 124.21 28.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.157 0.503 . . . . 1.0 112.183 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' 1830 ' ' LEU . 21.9 mt -115.76 106.16 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 107.85 -1.167 . . . . 1.0 107.85 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.13 149.9 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 1.0 111.467 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.458 ' HA ' HD22 ' A' 1835 ' ' ASN . 5.0 ptpt -97.72 155.98 36.56 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.94 126.9 13.55 Favored 'Cis proline' 0 N--CA 1.503 2.086 0 C-N-CA 124.643 -0.982 . . . . 1.0 112.689 0.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' 1833 ' ' LYS . 0.4 OUTLIER -143.07 66.77 1.31 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.154 -1.018 . . . . 1.0 111.978 177.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -82.6 -31.64 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.001 0.905 . . . . 1.0 110.257 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 10.9 t -67.64 -32.8 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 113.821 -1.536 . . . . 1.0 110.629 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . 0.415 ' NE2' ' CG2' ' A' 1831 ' ' ILE . 23.3 mt-30 -69.15 -30.32 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.554 . . . . 1.0 110.035 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.92 -34.86 44.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.362 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.83 -41.45 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -61.45 -25.82 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.586 0.231 . . . . 1.0 110.841 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 20.0 ttm . . . . . 0 C--N 1.327 -0.39 0 C-N-CA 122.605 0.362 . . . . 1.0 111.389 179.334 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . 0.57 ' N ' HD12 ' A' 1852 ' ' ILE . 3.3 mp . . . . . 0 N--CA 1.468 0.453 0 CA-C-O 121.46 0.648 . . . . 1.0 112.21 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.4 ' N ' HG22 ' A' 1852 ' ' ILE . 2.3 t-80 -69.96 121.48 17.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.712 -1.131 . . . . 1.0 110.763 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 32.1 t -58.95 -42.83 90.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.62 -41.5 61.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.721 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.59 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.293 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . 0.41 HD11 ' HB ' ' A' 1852 ' ' ILE . 86.6 mt -58.32 -44.81 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.197 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' 1862 ' ' THR . 24.1 tp -64.12 -50.73 67.11 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.692 0.282 . . . . 1.0 110.927 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -66.2 -39.67 89.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.08 0.467 . . . . 1.0 110.788 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.05 90.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' 1865 ' ' VAL . 5.3 m-85 -74.54 -22.12 59.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.802 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . 0.536 HG23 ' O ' ' A' 1858 ' ' LEU . 23.3 p -80.26 -31.83 38.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.118 0.485 . . . . 1.0 109.989 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -79.13 -46.65 17.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 12.9 ttp85 -51.67 -41.03 61.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 -179.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' 1865 ' ' VAL . 3.3 t . . . . . 0 N--CA 1.467 0.401 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.236 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 N--CA 1.466 0.361 0 CA-C-O 120.778 0.323 . . . . 1.0 110.461 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.52 -31.93 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -48.47 -30.73 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.675 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.95 -42.88 37.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.599 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -51.25 -50.0 60.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.182 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.67 -51.74 46.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.753 0.311 . . . . 1.0 110.416 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 54.6 ttp -52.47 -34.9 51.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.369 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' 1798 ' ' PHE . 33.1 t80 -64.15 -40.25 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.16 -30.77 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.354 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -61.91 -44.25 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 1.0 110.423 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 25.0 t -72.83 -38.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 119.851 -0.74 . . . . 1.0 109.132 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -56.23 -41.98 76.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.994 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.21 -29.06 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.593 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.23 -34.24 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.548 0.689 . . . . 1.0 112.239 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.39 -5.06 37.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.868 -1.06 . . . . 1.0 111.054 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' 1811 ' ' GLN . 52.2 t0 -154.1 82.52 4.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 1.0 110.551 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.75 -9.3 13.31 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.358 2.039 . . . . 1.0 112.315 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' 1809 ' ' ALA . 63.0 m-20 -85.94 -4.42 59.16 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.92 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 64.97 25.96 12.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.335 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . 0.403 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 11.0 p -67.27 -32.71 73.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . 0.484 ' O ' ' SG ' ' A' 1854 ' ' CYS . 0.0 OUTLIER 77.95 20.02 1.04 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.521 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -129.07 154.44 46.67 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.229 -0.656 . . . . 1.0 109.229 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 9.6 tt -140.12 147.56 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.967 -0.458 . . . . 1.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . 0.485 ' HB2' ' HZ3' ' A' 1817 ' ' LYS . 50.9 mt-10 -79.02 136.81 37.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.918 0.39 . . . . 1.0 111.584 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -52.23 -45.39 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.083 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.03 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . 0.485 ' HZ3' ' HB2' ' A' 1814 ' ' GLU . 35.0 mtmm -107.86 4.43 25.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.981 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.8 tp -70.9 -22.28 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.407 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 2.3 m -77.42 -35.0 54.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.011 0.434 . . . . 1.0 109.894 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.25 -24.27 64.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.0 109.294 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.488 ' CZ ' HD21 ' A' 1825 ' ' LEU . 61.6 t80 -81.22 -48.01 12.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.911 -1.041 . . . . 1.0 110.906 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.54 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.59 -0.732 . . . . 1.0 112.484 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.23 1.4 56.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.852 0.358 . . . . 1.0 110.469 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.47 26.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.954 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.488 HD21 ' CZ ' ' A' 1821 ' ' PHE . 82.4 mt -73.4 165.67 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.15 0.5 . . . . 1.0 110.587 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.85 157.9 37.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.259 -1.015 . . . . 1.0 108.259 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.436 ' HA ' ' H ' ' A' 1829 ' ' LEU . 15.9 Cg_endo -55.62 147.62 58.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.024 1.816 . . . . 1.0 110.554 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -88.06 48.11 0.94 Allowed 'Cis proline' 0 N--CA 1.5 1.893 0 CA-C-N 119.758 0.949 . . . . 1.0 112.879 0.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.436 ' H ' ' HA ' ' A' 1827 ' ' PRO . 67.1 mt -130.75 -3.11 4.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.82 0.343 . . . . 1.0 110.147 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.72 123.22 28.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.572 0.582 . . . . 1.0 112.572 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 23.9 mt -114.11 105.76 19.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.061 -1.459 . . . . 1.0 107.061 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -58.22 150.88 20.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.197 0.523 . . . . 1.0 111.938 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 32.1 mttm -96.44 158.15 34.28 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.59 118.41 5.77 Favored 'Cis proline' 0 N--CA 1.499 1.802 0 C-N-CA 124.749 -0.938 . . . . 1.0 112.347 -0.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' 1835 ' ' ASN . 8.6 p-10 -142.03 67.26 1.33 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 119.327 -0.949 . . . . 1.0 111.681 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 47.1 tttt -83.5 -31.58 26.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.322 1.058 . . . . 1.0 110.292 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 20.1 t -64.11 -47.81 88.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 113.328 -1.76 . . . . 1.0 110.724 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . 0.442 ' H ' ' CD ' ' A' 1838 ' ' GLN . 22.2 mp0 -51.06 -26.65 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.345 0.593 . . . . 1.0 109.42 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.45 -34.88 47.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.955 -1.021 . . . . 1.0 111.476 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . 0.429 ' C ' ' H ' ' A' 1842 ' ' MET . 82.8 mt -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.335 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.31 42.36 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.573 0.225 . . . . 1.0 110.471 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . 0.429 ' H ' ' C ' ' A' 1840 ' ' ILE . 7.5 mtt . . . . . 0 N--CA 1.467 0.387 0 C-N-CA 122.638 0.375 . . . . 1.0 110.47 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' 1852 ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.471 0.6 0 CA-C-O 121.466 0.65 . . . . 1.0 111.648 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.505 ' N ' HG22 ' A' 1852 ' ' ILE . 2.2 t-80 -77.04 121.73 23.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' 1811 ' ' GLN . 5.1 p -60.03 -44.32 94.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.103 -0.498 . . . . 1.0 111.033 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.34 -38.61 54.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.152 -0.619 . . . . 1.0 110.159 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 19.9 t0 -73.32 -43.03 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.582 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.23 -44.98 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.2 -50.47 73.91 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.086 0.47 . . . . 1.0 110.992 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.44 -29.39 70.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.469 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.91 -42.42 69.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 1.0 111.315 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.69 -30.81 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.593 -1.185 . . . . 1.0 110.306 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 52.2 m -71.96 -34.1 68.71 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 120.395 -0.522 . . . . 1.0 109.768 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 60.9 tttt -77.78 -46.09 22.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.165 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -52.13 -41.91 62.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.264 0.554 . . . . 1.0 111.572 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' 1865 ' ' VAL . 88.2 t . . . . . 0 N--CA 1.465 0.299 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.823 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 38.5 m . . . . . 0 N--CA 1.464 0.238 0 N-CA-C 110.085 -0.339 . . . . 1.0 110.085 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' 1792 ' ' GLU . 1.4 pm0 -44.3 -31.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 1.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -48.47 -33.1 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.576 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -72.7 -44.61 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.557 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -50.23 -48.63 54.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.029 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.12 -53.33 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.255 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.7 -35.98 64.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.772 0.32 . . . . 1.0 110.454 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -70.23 -30.8 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.83 -41.11 95.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.253 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 34.6 t -76.42 -39.0 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -54.7 -42.75 71.82 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.739 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.91 -29.6 42.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.566 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.1 -35.55 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.793 0.664 . . . . 1.0 112.793 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -94.88 -8.14 38.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.354 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.4 88.1 1.82 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.703 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.07 -1.25 10.32 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.372 2.048 . . . . 1.0 111.479 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' 1808 ' ' ASP . 54.1 t0 -87.99 -7.85 56.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.273 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.21 28.11 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 10.8 p -68.69 -31.97 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.05 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 75.13 22.06 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -129.36 151.83 49.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.67 146.64 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -80.22 141.42 35.63 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.08 -44.71 79.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.15 -23.82 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.813 0.339 . . . . 1.0 110.662 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.46 0.05 24.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.264 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -68.9 -24.58 64.33 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.378 -0.529 . . . . 1.0 110.525 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . 0.536 ' O ' ' NZ ' ' A' 1833 ' ' LYS . 30.8 p -74.69 -35.71 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.385 -0.526 . . . . 1.0 110.103 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -68.82 -23.54 64.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.529 ' CZ ' HD21 ' A' 1825 ' ' LEU . 60.8 t80 -82.84 -47.35 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.188 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.05 -37.19 32.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.136 -0.938 . . . . 1.0 112.701 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.06 3.09 55.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.096 0.475 . . . . 1.0 110.134 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.66 -25.28 26.66 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.362 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' 1821 ' ' PHE . 78.5 mt -72.44 166.47 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.62 151.38 43.31 Favored Pre-proline 0 N--CA 1.465 0.309 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.416 ' HA ' ' H ' ' A' 1829 ' ' LEU . 74.2 Cg_exo -46.4 146.75 4.66 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.202 1.268 . . . . 1.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.71 48.44 0.98 Allowed 'Cis proline' 0 N--CA 1.501 1.956 0 CA-C-N 119.936 1.013 . . . . 1.0 112.05 -0.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' 1827 ' ' PRO . 85.1 mt -132.75 -3.64 3.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.66 0.267 . . . . 1.0 110.917 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' 1831 ' ' ILE . 17.1 tp -80.63 124.87 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' 1830 ' ' LEU . 55.6 mt -115.16 104.63 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 107.355 -1.35 . . . . 1.0 107.355 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.561 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.36 151.33 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' 1819 ' ' SER . 39.5 mttp -91.69 155.94 43.28 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -87.63 105.33 0.61 Allowed 'Cis proline' 0 N--CA 1.5 1.883 0 C-N-CA 124.889 -0.88 . . . . 1.0 113.273 1.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' 1832 ' ' ALA . 94.1 m-20 -131.18 68.59 1.49 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.249 0.931 . . . . 1.0 111.732 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 42.2 tttt -80.61 -32.32 36.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.116 0.96 . . . . 1.0 110.367 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 44.5 t -64.81 -45.58 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 113.718 -1.583 . . . . 1.0 109.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -51.05 -26.63 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.173 0.511 . . . . 1.0 109.67 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.18 -34.72 49.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.732 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 87.1 mt -73.67 -43.1 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.849 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.12 64.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.194 -0.316 . . . . 1.0 110.964 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 27.6 mmm . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.609 0.242 . . . . 1.0 111.273 179.889 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.439 ' O ' ' OD2' ' A' 1856 ' ' ASP . 7.0 t-80 -105.12 121.47 43.89 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.987 0.422 . . . . 1.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . 0.469 ' HA ' HD12 ' A' 1857 ' ' ILE . 15.6 p -37.06 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 1.0 112.15 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' 1855 ' ' LEU . 12.9 mt -53.78 -42.18 68.03 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.811 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' 1857 ' ' ILE . 2.6 p30 -74.14 -37.05 64.17 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.247 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' 1854 ' ' CYS . 19.5 mt -63.28 -42.8 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.751 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' 1862 ' ' THR . 32.6 tp -62.43 -49.24 76.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.215 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.06 -41.6 86.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.955 -0.298 . . . . 1.0 111.207 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.605 -0.438 . . . . 1.0 111.688 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.22 -25.03 57.84 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.586 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . 0.563 HG23 ' O ' ' A' 1858 ' ' LEU . 16.0 p -75.08 -31.8 61.32 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . 0.511 ' NZ ' ' CB ' ' A' 1863 ' ' LYS . 4.6 ttpm? -78.88 -45.52 20.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.303 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -50.93 -40.98 58.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.456 0.646 . . . . 1.0 111.331 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' 1865 ' ' VAL . 40.6 t . . . . . 0 CA--C 1.537 0.443 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.993 178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 N--CA 1.464 0.268 0 CA-C-O 120.735 0.302 . . . . 1.0 110.431 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . 0.617 ' CD ' ' H ' ' A' 1792 ' ' GLU . 7.5 pm0 -56.81 -30.04 63.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.188 0.518 . . . . 1.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' 1794 ' ' ASP . 50.1 p-10 -48.66 -27.49 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.481 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.8 m-20 -78.75 -43.78 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.524 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -50.92 -49.62 59.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.6 -51.08 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 110.307 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 44.9 ttp -52.87 -36.82 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.263 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -62.01 -42.16 98.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.454 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . 0.427 ' O ' ' OE2' ' A' 1803 ' ' GLU . 49.4 m-85 -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.112 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -60.63 -43.6 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.449 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.3 t -74.93 -38.34 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.529 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . 0.515 ' CZ3' ' SG ' ' A' 1854 ' ' CYS . 14.6 t-105 -59.92 -38.71 83.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.843 -0.743 . . . . 1.0 111.641 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' 1803 ' ' GLU . 0.1 OUTLIER -64.98 -29.79 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.1 -0.24 . . . . 1.0 111.383 -178.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 56.7 mttp -68.18 -28.61 67.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.797 0.808 . . . . 1.0 110.777 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.03 -73.99 0.13 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.328 -1.305 . . . . 1.0 111.738 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . 0.573 ' C ' ' H ' ' A' 1808 ' ' ASP . 77.1 m-20 -118.63 86.66 29.95 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.27 -0.269 . . . . 1.0 110.992 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.49 3.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 122.746 2.297 . . . . 1.0 113.029 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.573 ' H ' ' C ' ' A' 1806 ' ' ASP . 52.3 t0 -81.98 -15.12 54.81 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 69.57 26.34 5.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.212 0.53 . . . . 1.0 110.169 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.5 p -66.58 -33.08 74.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.601 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 75.55 16.27 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -127.04 156.76 41.14 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.4 tt -143.09 147.21 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 118.43 0.559 . . . . 1.0 109.865 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' 1814 ' ' GLU . 23.0 mp0 -80.57 140.51 35.76 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.363 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.78 -45.34 70.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.651 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.51 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 65.2 mttm -107.19 1.6 24.15 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.917 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 67.8 tp -67.22 -27.97 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.096 -0.641 . . . . 1.0 110.984 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' 1823 ' ' ASP . 47.6 m -70.33 -35.27 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.206 -0.597 . . . . 1.0 110.471 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.17 -25.66 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.3 t80 -79.81 -48.83 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.124 -0.944 . . . . 1.0 110.422 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.67 36.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.955 -1.021 . . . . 1.0 112.171 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' 1819 ' ' SER . 4.2 p30 -94.01 1.61 56.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.964 0.412 . . . . 1.0 110.519 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.47 -25.77 26.7 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.057 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' 1821 ' ' PHE . 78.2 mt -73.24 166.44 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.7 OUTLIER -112.08 151.26 43.47 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.214 178.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.414 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.1 Cg_exo -46.09 147.63 3.49 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.28 1.32 . . . . 1.0 111.118 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -89.25 48.25 1.06 Allowed 'Cis proline' 0 N--CA 1.499 1.828 0 CA-C-N 119.874 0.991 . . . . 1.0 112.124 -0.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.414 ' H ' ' HA ' ' A' 1827 ' ' PRO . 72.3 mt -132.7 -3.06 3.3 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.654 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' 1831 ' ' ILE . 16.0 tp -81.55 123.64 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.459 0.54 . . . . 1.0 112.459 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' 1830 ' ' LEU . 28.5 mt -113.5 103.59 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 1.0 107.089 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.575 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -57.78 151.78 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.976 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.46 159.82 32.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 107.67 -1.233 . . . . 1.0 107.67 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.72 102.06 0.37 Allowed 'Cis proline' 0 N--CA 1.499 1.797 0 C-N-CA 124.64 -0.983 . . . . 1.0 113.291 1.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.575 ' ND2' ' O ' ' A' 1832 ' ' ALA . 5.9 m-80 -127.53 69.05 1.3 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.387 0.994 . . . . 1.0 111.504 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . 0.447 ' CB ' ' NZ ' ' A' 1836 ' ' LYS . 2.5 ttmp? -80.68 -31.16 36.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.318 1.056 . . . . 1.0 110.061 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 14.6 t -64.79 -47.04 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 113.267 -1.788 . . . . 1.0 110.298 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -50.34 -25.87 4.29 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.14 -35.14 49.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.084 -0.962 . . . . 1.0 110.913 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 81.3 mt -74.11 -41.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.448 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -59.29 -27.84 66.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.346 -0.221 . . . . 1.0 111.021 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 21.4 mmm . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 1.0 111.3 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 38.8 mt . . . . . 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 1.0 112.453 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.468 ' CE1' ' HG ' ' A' 1855 ' ' LEU . 5.7 t-160 -79.45 122.01 25.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.957 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . 0.515 ' SG ' ' CZ3' ' A' 1802 ' ' TRP . 33.2 t -63.42 -33.51 75.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.598 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . 0.468 ' HG ' ' CE1' ' A' 1853 ' ' HIS . 0.2 OUTLIER -51.39 -43.98 62.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -45.89 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.81 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.19 -46.15 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' 1862 ' ' THR . 55.7 tp -62.29 -50.56 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 111.14 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.8 t80 -67.76 -36.21 80.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.386 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.74 81.11 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.26 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -74.86 -48.07 26.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.138 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . 0.416 HG23 ' O ' ' A' 1858 ' ' LEU . 21.6 p -52.02 -32.59 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 1.0 109.877 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -79.23 -46.04 18.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 61.6 ttp85 -51.12 -41.34 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 N--CA 1.466 0.355 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.927 -179.131 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.466 0.328 0 CA-C-O 121.043 0.449 . . . . 1.0 110.716 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.87 -29.53 70.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.531 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.37 -29.71 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.504 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.8 -42.09 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.417 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.55 -49.66 61.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.928 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' 1800 ' ' GLU . 39.9 mt-10 -69.04 -50.27 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 1.0 110.59 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 34.5 ttp -52.29 -34.77 48.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 29.8 t80 -63.92 -38.44 91.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.265 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.82 -32.36 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' 1800 ' ' GLU . 0.3 OUTLIER -61.0 -43.86 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.064 -0.347 . . . . 1.0 110.064 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.3 t -73.6 -38.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.959 -0.696 . . . . 1.0 109.158 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -55.2 -42.33 73.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.791 -0.641 . . . . 1.0 111.01 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.41 -29.26 58.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.561 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 55.4 mttm -69.22 -35.45 76.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.597 0.592 . . . . 1.0 112.597 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.09 -6.15 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.015 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . 0.429 ' OD2' ' OG1' ' A' 1810 ' ' THR . 42.9 t0 -155.44 84.7 3.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.096 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.46 -6.51 12.72 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.218 1.945 . . . . 1.0 111.652 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' 1808 ' ' ASP . 10.8 t70 -88.84 -5.56 57.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.61 27.98 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 1.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . 0.429 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 3.2 p -67.32 -31.5 71.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 74.15 20.66 2.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -129.95 153.61 48.19 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.909 -0.774 . . . . 1.0 108.909 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -143.05 147.78 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 118.77 0.713 . . . . 1.0 110.072 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -81.82 142.09 32.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.92 -44.46 82.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.717 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.26 -24.32 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.007 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -105.83 -0.32 25.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.489 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 63.9 tp -67.08 -30.68 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.228 -0.589 . . . . 1.0 110.661 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.3 p -68.56 -35.63 77.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.262 -0.575 . . . . 1.0 110.373 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -69.89 -24.88 63.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.533 ' CZ ' HD21 ' A' 1825 ' ' LEU . 54.0 t80 -81.86 -48.04 12.05 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.781 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.25 -37.26 22.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.043 -0.981 . . . . 1.0 112.383 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.49 3.45 55.12 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.983 0.42 . . . . 1.0 110.13 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.8 -25.81 26.11 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.31 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.533 HD21 ' CZ ' ' A' 1821 ' ' PHE . 76.6 mt -72.14 167.0 21.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.539 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.91 150.41 42.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.421 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.7 Cg_exo -46.65 148.08 3.95 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.311 1.341 . . . . 1.0 111.041 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' 1865 ' ' VAL . 47.7 Cg_endo -88.87 48.04 1.04 Allowed 'Cis proline' 0 N--CA 1.501 1.969 0 CA-C-N 119.936 1.013 . . . . 1.0 112.238 -0.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.421 ' H ' ' HA ' ' A' 1827 ' ' PRO . 36.5 mt -132.7 -3.54 3.28 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.864 0.364 . . . . 1.0 110.642 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' 1831 ' ' ILE . 13.9 tp -80.54 124.11 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.34 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' 1830 ' ' LEU . 31.1 mt -113.94 104.12 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 107.297 -1.372 . . . . 1.0 107.297 177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.579 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -58.27 150.89 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.876 -0.329 . . . . 1.0 111.035 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -94.34 159.95 32.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -85.69 101.88 0.36 Allowed 'Cis proline' 0 N--CA 1.498 1.737 0 C-N-CA 124.728 -0.947 . . . . 1.0 113.44 1.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' 1832 ' ' ALA . 10.8 m-80 -129.25 68.82 1.41 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.309 0.959 . . . . 1.0 111.484 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 43.3 tttt -80.35 -31.19 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.394 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 30.6 t -63.67 -47.55 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 113.464 -1.698 . . . . 1.0 110.16 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -50.47 -26.37 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.325 0.583 . . . . 1.0 109.526 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.43 -36.1 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.796 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.7 mt -73.88 -41.29 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.313 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.48 41.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.552 0.215 . . . . 1.0 110.638 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 30.3 mtm . . . . . 0 N--CA 1.465 0.302 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.646 179.929 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 24.6 mt . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.22 0.533 . . . . 1.0 112.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.22 123.21 29.36 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.09 -0.959 . . . . 1.0 111.888 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.4 p -63.77 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.814 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.17 -38.84 87.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.5 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' 1856 ' ' ASP . 2.2 m-20 -71.51 -44.73 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.181 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.34 -45.14 85.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.61 -49.75 73.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.27 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 80.7 t80 -67.1 -45.14 78.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.744 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.0 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.194 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' 1865 ' ' VAL . 6.3 m-85 -76.5 -25.44 54.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 99.8 m -76.66 -32.5 57.99 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 29.1 tttm -76.62 -47.31 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.482 -0.781 . . . . 1.0 109.583 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -51.73 -41.72 61.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.822 -0.627 . . . . 1.0 111.549 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' 1861 ' ' PHE . 31.1 m . . . . . 0 CA--C 1.537 0.466 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.969 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.465 0.296 0 N-CA-C 110.119 -0.326 . . . . 1.0 110.119 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.15 -40.09 73.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -48.39 -29.55 4.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.36 -42.61 29.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.577 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.34 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -67.93 -49.99 58.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 1.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . 0.412 ' SD ' ' OD1' ' A' 1826 ' ' ASP . 25.9 ttp -52.6 -35.98 55.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.03 -40.67 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -69.5 -31.7 70.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.186 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -59.82 -44.4 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.4 t -74.6 -38.75 46.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.009 -0.677 . . . . 1.0 109.309 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -55.43 -42.59 74.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.156 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.23 -28.99 60.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.176 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -67.85 -35.72 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.499 0.666 . . . . 1.0 112.377 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -98.32 -4.77 34.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.86 -1.064 . . . . 1.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . 0.427 ' OD1' ' OG1' ' A' 1810 ' ' THR . 20.4 t70 -156.68 83.49 3.2 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 1.0 111.053 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.33 -5.89 12.76 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.336 2.024 . . . . 1.0 111.857 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.467 ' CG ' HG23 ' A' 1810 ' ' THR . 12.1 p30 -89.47 -4.28 58.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.277 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.02 27.79 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . 0.467 HG23 ' CG ' ' A' 1808 ' ' ASP . 9.2 p -68.83 -31.13 69.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.112 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 75.55 23.55 1.45 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.87 0.731 . . . . 1.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.25 151.75 51.19 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.3 tt -142.96 147.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 118.678 0.672 . . . . 1.0 109.869 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -81.16 141.09 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.064 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.35 -46.17 72.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.127 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.46 -24.89 33.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.19 -0.04 24.9 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.272 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.2 tp -69.12 -24.42 64.11 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.342 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 13.3 p -75.6 -34.63 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.265 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.32 -22.89 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' 1825 ' ' LEU . 55.3 t80 -82.78 -47.28 12.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.623 -1.171 . . . . 1.0 111.079 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.93 -38.32 35.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.525 -0.761 . . . . 1.0 112.617 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.96 1.92 56.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.942 0.401 . . . . 1.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.28 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.858 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' 1821 ' ' PHE . 84.3 mt -71.97 164.15 26.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.83 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1827 ' ' PRO . 0.0 OUTLIER -110.59 151.97 43.11 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 179.171 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.431 ' O ' ' OD1' ' A' 1826 ' ' ASP . 73.9 Cg_exo -45.68 146.93 3.31 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.445 1.43 . . . . 1.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -88.75 48.29 1.0 Allowed 'Cis proline' 0 N--CA 1.502 2.015 0 CA-C-N 119.998 1.035 . . . . 1.0 112.06 -0.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.424 ' H ' ' HA ' ' A' 1827 ' ' PRO . 72.1 mt -132.47 -2.88 3.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.907 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.99 121.53 26.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.091 0.472 . . . . 1.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.621 HG22 ' OD1' ' A' 1835 ' ' ASN . 49.5 mt -114.13 106.72 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -55.34 151.69 9.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.655 -0.702 . . . . 1.0 111.38 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 48.8 mttt -99.72 157.36 34.08 Favored Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.13 124.45 10.62 Favored 'Cis proline' 0 N--CA 1.504 2.133 0 C-N-CA 124.506 -1.039 . . . . 1.0 112.7 0.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.797 HD22 ' H ' ' A' 1835 ' ' ASN . 0.0 OUTLIER -139.85 65.9 1.41 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.333 -0.947 . . . . 1.0 111.808 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.46 -32.33 26.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.311 1.053 . . . . 1.0 110.145 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 37.0 t -67.69 -54.1 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 113.861 -1.518 . . . . 1.0 110.803 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -55.2 -25.98 36.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.916 0.865 . . . . 1.0 108.859 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' 1835 ' ' ASN . 0.9 OUTLIER -75.62 -39.67 57.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.997 -1.456 . . . . 1.0 109.701 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.31 -36.35 42.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.962 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.51 59.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.596 -0.275 . . . . 1.0 110.651 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 40.8 mtp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.641 0.258 . . . . 1.0 111.124 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 33.7 mt . . . . . 0 N--CA 1.474 0.746 0 CA-C-O 121.465 0.65 . . . . 1.0 112.708 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -82.45 123.55 29.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.692 -1.14 . . . . 1.0 111.895 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' 1855 ' ' LEU . 16.3 p -63.9 -36.54 84.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.642 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . 0.435 ' N ' ' SG ' ' A' 1854 ' ' CYS . 36.0 mt -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.859 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.92 -43.05 62.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.344 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.5 -45.31 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.73 -50.34 74.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.059 0.456 . . . . 1.0 110.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -67.64 -32.39 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.11 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.8 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 1.0 111.48 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.84 -22.81 58.48 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.723 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 26.9 m -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.127 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 49.9 mmtt -76.61 -45.99 27.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.649 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -51.52 -41.52 61.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.432 0.634 . . . . 1.0 111.222 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' 1865 ' ' VAL . 56.7 t . . . . . 0 CA--C 1.536 0.433 0 CA-C-N 114.954 -1.021 . . . . 1.0 111.14 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 74.1 m . . . . . 0 N--CA 1.466 0.344 0 CA-C-O 120.889 0.376 . . . . 1.0 110.754 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.8 -30.67 70.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.699 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -48.1 -28.64 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.041 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -73.31 -45.63 54.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.274 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -50.59 -48.26 57.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.19 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -70.58 -53.96 13.95 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.646 0.61 . . . . 1.0 112.646 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' 1797 ' ' MET . 0.0 OUTLIER -52.94 -34.02 53.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.829 0.347 . . . . 1.0 110.661 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 28.0 t80 -64.81 -39.61 93.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.42 -30.52 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.24 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.405 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 16.2 t -75.06 -38.49 42.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.19 -0.67 . . . . 1.0 109.19 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -56.27 -42.72 77.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.296 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.6 -28.05 63.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.638 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.99 -32.91 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 1.0 112.111 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . 0.41 ' O ' ' OD1' ' A' 1806 ' ' ASP . 68.7 m-85 -98.02 -5.59 33.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.886 -1.052 . . . . 1.0 111.223 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' 1805 ' ' PHE . 64.0 m-20 -158.36 86.54 2.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.765 -0.374 . . . . 1.0 111.375 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.47 -3.75 10.79 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.283 1.989 . . . . 1.0 111.73 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.417 ' CG ' HG23 ' A' 1810 ' ' THR . 18.9 p30 -92.17 -5.96 51.6 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.1 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 58.79 32.03 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' 1808 ' ' ASP . 7.7 p -69.99 -31.75 69.59 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 80.09 24.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.17 -0.923 . . . . 1.0 111.011 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -130.56 149.68 52.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -140.98 147.12 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' 1815 ' ' PHE . 0.0 OUTLIER -79.71 135.63 36.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.025 0.38 . . . . 1.0 112.025 -177.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . 0.538 ' N ' ' OE1' ' A' 1814 ' ' GLU . 34.9 t80 -53.03 -44.93 67.74 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.476 -0.49 . . . . 1.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.66 -22.58 46.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.259 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -109.23 2.16 20.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.263 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.58 -27.65 65.3 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.035 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.8 m -70.46 -34.49 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.594 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -73.61 -26.37 60.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.57 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.58 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.5 t80 -80.55 -48.36 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.87 15.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.587 -1.188 . . . . 1.0 111.325 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.63 3.77 54.67 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.01 0.433 . . . . 1.0 110.208 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -90.46 -22.05 21.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.787 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.58 HD21 ' CZ ' ' A' 1821 ' ' PHE . 89.8 mt -70.91 178.01 3.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.138 0.494 . . . . 1.0 110.849 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -122.32 146.13 46.25 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.488 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.446 ' HA ' ' H ' ' A' 1829 ' ' LEU . 60.5 Cg_exo -48.29 148.24 7.7 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.226 1.284 . . . . 1.0 111.035 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.72 48.19 1.01 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.871 0.99 . . . . 1.0 112.113 -0.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.446 ' H ' ' HA ' ' A' 1827 ' ' PRO . 15.8 mt -134.03 -4.81 2.76 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.861 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' 1831 ' ' ILE . 10.2 tp -79.29 126.49 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.503 . . . . 1.0 112.135 -178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.554 ' N ' HD12 ' A' 1830 ' ' LEU . 71.5 mt -117.87 100.35 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 106.198 -1.779 . . . . 1.0 106.198 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -108.2 67.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.154 -0.93 . . . . 1.0 112.046 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' 1832 ' ' ALA . 2.0 mptm? 50.02 158.49 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.458 -0.792 . . . . 1.0 111.411 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -97.73 28.74 15.75 Favored 'Cis proline' 0 N--CA 1.493 1.495 0 CA-C-N 118.735 0.584 . . . . 1.0 112.557 -0.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.837 ' H ' ' ND2' ' A' 1835 ' ' ASN . 0.0 OUTLIER -96.5 70.6 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -178.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.7 -37.5 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.826 0.822 . . . . 1.0 109.995 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 15.8 t -50.58 -44.88 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.184 -1.371 . . . . 1.0 110.157 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . 0.478 ' N ' ' OE1' ' A' 1838 ' ' GLN . 0.9 OUTLIER -48.18 -33.2 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.674 -1.148 . . . . 1.0 110.344 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.61 -41.49 83.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.157 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.0 mt -74.03 -34.18 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -75.25 44.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 C-N-CA 122.557 0.343 . . . . 1.0 110.989 -178.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 35.9 mt . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.313 0.578 . . . . 1.0 111.916 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.47 121.78 16.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.437 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.15 -41.37 99.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.665 -0.243 . . . . 1.0 111.246 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.49 -39.12 56.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.494 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.52 -38.12 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.568 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.1 -44.04 90.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -49.33 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.981 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.95 -47.04 75.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.463 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.43 81.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.012 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.83 -22.84 58.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.536 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 90.2 m -79.01 -34.46 43.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -76.85 -45.68 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.571 179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -52.34 -41.75 63.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.542 . . . . 1.0 111.951 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' 1865 ' ' VAL . 45.8 t . . . . . 0 CA--C 1.534 0.352 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.904 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . 0.514 ' N ' ' OD2' ' A' 1794 ' ' ASP . 69.3 m . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 110.167 -0.308 . . . . 1.0 110.167 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.37 -36.32 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' 1793 ' ' ASP . 0.4 OUTLIER -48.56 -33.27 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.734 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' 1791 ' ' SER . 4.5 m-20 -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 1.0 110.48 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.18 -49.66 60.51 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.123 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -65.65 -49.07 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.529 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . 0.46 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.7 tmm? -55.45 -36.81 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.201 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.5 t80 -61.76 -41.5 97.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.98 -32.28 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.275 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -60.66 -41.41 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.6 t -76.52 -38.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -56.26 -42.06 76.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.837 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.37 -28.3 58.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.338 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -68.74 -35.41 77.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.415 0.626 . . . . 1.0 111.979 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.47 -5.56 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.959 -1.019 . . . . 1.0 111.522 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 41.2 t0 -157.66 84.73 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.252 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.95 -4.78 12.09 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.176 1.917 . . . . 1.0 111.658 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 45.2 t0 -89.6 -6.18 56.48 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.84 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.45 30.62 18.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 8.2 p -68.87 -31.45 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 75.96 23.63 1.29 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.457 -0.792 . . . . 1.0 110.54 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' 1852 ' ' ILE . 1.3 m-85 -131.56 151.07 51.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.2 tt -140.77 149.61 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.124 0.42 . . . . 1.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.24 135.44 36.77 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.087 0.403 . . . . 1.0 112.087 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -52.53 -45.87 66.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.694 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -58.65 -22.7 57.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.037 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . 0.426 ' CB ' ' NZ ' ' A' 1817 ' ' LYS . 6.3 ttpm? -107.69 0.05 22.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.026 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.18 -26.66 65.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.866 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 4.4 m -71.68 -35.29 70.25 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.561 -0.455 . . . . 1.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' 1820 ' ' ASP . 66.6 t0 -69.21 -25.09 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.562 -0.532 . . . . 1.0 109.562 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.506 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.5 t80 -81.94 -48.09 11.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.815 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.43 -37.21 24.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.25 -0.886 . . . . 1.0 112.183 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -94.06 2.44 56.03 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.97 0.414 . . . . 1.0 110.186 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.55 -24.87 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.162 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.506 HD21 ' CZ ' ' A' 1821 ' ' PHE . 91.3 mt -73.4 168.35 19.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.089 0.471 . . . . 1.0 110.613 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.48 149.22 41.84 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.406 ' HA ' ' H ' ' A' 1829 ' ' LEU . 72.6 Cg_exo -45.74 148.62 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.071 1.181 . . . . 1.0 110.949 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -88.39 46.72 1.12 Allowed 'Cis proline' 0 N--CA 1.501 1.929 0 CA-C-N 119.883 0.994 . . . . 1.0 112.292 -0.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.406 ' H ' ' HA ' ' A' 1827 ' ' PRO . 21.8 mt -131.19 -3.43 3.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.679 0.276 . . . . 1.0 110.822 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 14.8 tp -79.85 123.35 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 1.0 111.767 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.645 HG22 ' OD1' ' A' 1835 ' ' ASN . 16.2 mt -115.63 107.34 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.94 149.26 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.123 0.487 . . . . 1.0 111.182 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -101.26 158.73 31.23 Favored Pre-proline 0 C--N 1.331 -0.239 0 N-CA-C 108.583 -0.895 . . . . 1.0 108.583 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -75.27 121.12 7.19 Favored 'Cis proline' 0 N--CA 1.505 2.148 0 C-N-CA 125.089 -0.796 . . . . 1.0 112.703 -0.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.645 ' OD1' HG22 ' A' 1831 ' ' ILE . 0.1 OUTLIER -140.24 66.78 1.38 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.182 -1.007 . . . . 1.0 112.034 178.152 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 46.0 mttp -83.0 -29.73 28.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.211 1.005 . . . . 1.0 110.099 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 43.0 t -67.58 -32.99 59.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.353 -1.748 . . . . 1.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -68.86 -31.57 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 70.5 mt -79.47 -35.06 40.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.105 -0.952 . . . . 1.0 111.52 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . 0.401 ' C ' ' H ' ' A' 1842 ' ' MET . 79.2 mt -73.99 -38.66 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.556 -0.458 . . . . 1.0 109.805 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -74.58 42.07 0.16 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.728 0.299 . . . . 1.0 110.71 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' 1840 ' ' ILE . 41.4 mmm . . . . . 0 N--CA 1.468 0.432 0 CA-C-O 121.0 0.429 . . . . 1.0 110.111 179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' 1853 ' ' HIS . 18.5 mt . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 121.648 0.737 . . . . 1.0 112.223 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.627 ' N ' HG22 ' A' 1852 ' ' ILE . 0.8 OUTLIER -87.76 122.39 31.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.516 -1.22 . . . . 1.0 111.027 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 5.4 t -58.83 -45.93 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.596 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 56.0 mt -51.73 -39.15 57.93 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.57 -45.0 66.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.15 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -43.86 93.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.226 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' 1862 ' ' THR . 24.9 tp -63.55 -50.11 70.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 1.0 111.152 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.16 -50.72 69.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.732 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -55.23 -36.23 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.395 -178.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.85 -34.13 60.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.511 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . 0.447 HG23 ' O ' ' A' 1858 ' ' LEU . 28.8 p -68.84 -33.21 73.43 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.545 -0.462 . . . . 1.0 109.935 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 59.1 mttm -79.48 -45.18 19.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.043 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -50.92 -41.31 58.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.288 0.566 . . . . 1.0 111.247 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' 1865 ' ' VAL . 61.8 t . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.726 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 71.3 p . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 121.3 0.571 . . . . 1.0 112.137 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.95 -23.23 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.238 -0.892 . . . . 1.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -48.95 -31.1 6.81 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.274 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.75 -42.81 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.148 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.75 -50.08 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.185 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.83 -50.24 51.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.852 0.358 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 33.3 ttp -52.35 -35.39 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.036 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.92 -39.2 93.83 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -70.68 -32.78 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.84 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.39 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.8 t -74.06 -38.33 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 119.714 -0.794 . . . . 1.0 109.193 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -55.13 -43.03 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.143 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.09 -28.71 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.251 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -69.29 -36.02 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.338 0.589 . . . . 1.0 112.448 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -95.57 -8.17 35.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.249 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . 0.436 ' OD2' ' OG1' ' A' 1810 ' ' THR . 19.9 t70 -155.01 87.29 3.32 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.815 -0.354 . . . . 1.0 111.437 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -82.72 -6.09 11.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.188 1.925 . . . . 1.0 111.435 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' 1809 ' ' ALA . 50.1 m-20 -88.48 -7.22 56.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 64.24 29.88 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 1.0 110.705 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . 0.436 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 16.1 p -66.43 -31.44 72.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.893 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 75.36 17.05 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.732 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.42 156.31 44.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.42 148.02 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 118.384 0.538 . . . . 1.0 110.045 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.76 142.45 32.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.841 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.55 -46.08 80.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.429 -0.351 . . . . 1.0 111.282 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.32 -23.49 49.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.985 0.421 . . . . 1.0 110.615 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -104.63 -5.1 21.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.817 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.77 -24.13 64.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -35.46 60.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.401 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1820 ' ' ASP . 13.1 t0 -70.71 -20.74 62.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' 1825 ' ' LEU . 59.9 t80 -83.71 -47.14 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.451 -1.25 . . . . 1.0 111.494 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.75 -37.76 30.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.069 -0.969 . . . . 1.0 112.765 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.31 2.84 55.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.022 0.439 . . . . 1.0 110.031 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.41 -26.15 26.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.497 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' 1821 ' ' PHE . 88.7 mt -70.74 170.38 12.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.972 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 148.37 40.53 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 108.995 -0.742 . . . . 1.0 108.995 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.458 ' HA ' ' H ' ' A' 1829 ' ' LEU . 73.1 Cg_exo -46.48 147.34 4.28 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.526 1.484 . . . . 1.0 111.703 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -88.76 50.8 0.83 Allowed 'Cis proline' 0 N--CA 1.5 1.896 0 CA-C-N 119.861 0.986 . . . . 1.0 112.403 -0.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.458 ' H ' ' HA ' ' A' 1827 ' ' PRO . 68.5 mt -134.43 -6.25 2.58 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.873 0.368 . . . . 1.0 110.527 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' 1825 ' ' LEU . 17.0 tp -79.37 128.0 32.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.49 HD11 ' NH1' ' A' 1864 ' ' ARG . 65.4 mt -114.16 100.92 11.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 105.401 -2.074 . . . . 1.0 105.401 176.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -65.22 15.05 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.111 0.782 . . . . 1.0 113.111 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' 1832 ' ' ALA . 20.4 mttm 52.08 162.81 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 118.875 -1.13 . . . . 1.0 108.903 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -90.12 36.46 5.49 Favored 'Cis proline' 0 C--N 1.31 -1.457 0 C-N-CA 125.089 -0.796 . . . . 1.0 113.039 0.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.585 ' H ' ' ND2' ' A' 1835 ' ' ASN . 0.5 OUTLIER -73.4 69.01 1.14 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 118.714 -1.194 . . . . 1.0 110.362 -179.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -79.42 -30.89 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.599 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 39.0 t -57.19 -48.21 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 113.393 -1.731 . . . . 1.0 109.655 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -50.41 -28.85 8.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.159 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.49 -38.12 62.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.212 -0.595 . . . . 1.0 109.79 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.1 mt -73.81 -38.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.237 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -49.55 -33.28 14.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 1.0 110.361 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 22.7 mtm . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.582 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 20.7 mt . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.231 0.539 . . . . 1.0 111.881 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.34 122.95 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.136 -0.938 . . . . 1.0 110.487 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -34.18 77.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.414 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 71.0 mt -51.31 -35.38 37.55 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.574 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.16 -41.32 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.787 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.99 -45.38 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 108.774 -0.825 . . . . 1.0 108.774 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' 1862 ' ' THR . 23.8 tp -62.93 -48.59 78.28 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 110.711 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . 0.414 ' O ' ' OG1' ' A' 1862 ' ' THR . 18.9 t80 -68.84 -37.23 79.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.474 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.42 -38.85 74.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.546 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . 0.605 ' CD2' ' NH2' ' A' 1864 ' ' ARG . 3.5 m-85 -75.04 -21.62 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.263 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . 0.552 HG23 ' O ' ' A' 1858 ' ' LEU . 10.1 p -77.15 -32.33 56.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.03 0.443 . . . . 1.0 110.282 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -78.43 -45.44 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.039 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . 0.605 ' NH2' ' CD2' ' A' 1861 ' ' PHE . 9.6 ttm180 -51.66 -40.95 60.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' 1865 ' ' VAL . 4.4 t . . . . . 0 N--CA 1.468 0.425 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.792 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.465 0.28 0 N-CA-C 110.186 -0.302 . . . . 1.0 110.186 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.61 -50.95 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 1.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.58 -29.67 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.506 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.31 -43.68 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.677 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -51.3 -49.71 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.3 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -64.94 -43.13 93.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 1.0 110.717 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . 0.458 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.3 tmm? -60.59 -37.0 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 33.3 t80 -61.2 -41.29 96.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.655 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -73.28 -33.61 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -61.06 -40.02 92.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.0 110.045 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 60.2 t -76.52 -38.16 31.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -56.46 -41.61 76.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.981 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -29.52 64.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.867 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -68.41 -33.57 74.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.483 0.659 . . . . 1.0 112.104 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -96.5 -5.83 38.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.945 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.01 84.0 3.76 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.23 -7.15 12.99 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.341 2.027 . . . . 1.0 111.986 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1808 ' ' ASP . 11.7 t70 -88.47 -3.92 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.064 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.88 27.63 16.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 1.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1811 ' ' GLN . 3.2 p -67.99 -32.62 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.593 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' 1810 ' ' THR . 3.2 tp60 78.6 19.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.835 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' 1852 ' ' ILE . 22.5 m-85 -130.05 154.43 47.44 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.59 148.16 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 122.054 -0.404 . . . . 1.0 110.082 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -78.92 137.05 37.45 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.666 0.27 . . . . 1.0 111.511 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 48.1 t80 -54.21 -44.54 71.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.264 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.12 -23.22 33.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.372 . . . . 1.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -108.61 3.87 23.36 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.372 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.92 -23.79 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.474 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . 0.548 ' C ' ' HZ1' ' A' 1833 ' ' LYS . 4.4 m -75.0 -35.44 62.0 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.974 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 52.2 t0 -68.84 -25.13 64.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.469 ' CZ ' HD21 ' A' 1825 ' ' LEU . 67.9 t80 -81.48 -48.52 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.737 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.3 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 1.0 112.137 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.99 2.06 56.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.954 0.407 . . . . 1.0 110.29 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.56 25.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.857 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.469 HD21 ' CZ ' ' A' 1821 ' ' PHE . 88.8 mt -72.68 168.75 18.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.149 0.5 . . . . 1.0 110.613 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -113.02 147.73 37.87 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.408 -0.815 . . . . 1.0 109.391 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.438 ' HA ' ' H ' ' A' 1829 ' ' LEU . 87.5 Cg_exo -43.6 147.43 1.07 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.449 1.433 . . . . 1.0 111.247 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -89.14 49.83 0.92 Allowed 'Cis proline' 0 N--CA 1.503 2.062 0 CA-C-N 119.773 0.955 . . . . 1.0 112.386 0.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' 1827 ' ' PRO . 20.2 mt -133.62 -5.19 2.88 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.522 0.201 . . . . 1.0 111.139 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' 1825 ' ' LEU . 15.7 tp -80.66 128.78 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.899 0.703 . . . . 1.0 112.899 -177.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.486 ' C ' ' H ' ' A' 1833 ' ' LYS . 57.9 mt -115.74 100.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 105.91 -1.885 . . . . 1.0 105.91 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.593 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -66.02 18.41 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.593 ' O ' ' O ' ' A' 1832 ' ' ALA . 0.8 OUTLIER 49.45 165.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 119.434 -0.906 . . . . 1.0 108.889 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -87.71 36.25 4.34 Favored 'Cis proline' 0 N--CA 1.49 1.278 0 CA-C-N 119.95 1.018 . . . . 1.0 112.915 0.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.591 ' H ' ' ND2' ' A' 1835 ' ' ASN . 0.2 OUTLIER -75.29 68.79 2.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 118.871 -1.132 . . . . 1.0 110.168 -179.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.78 -31.2 45.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.241 1.02 . . . . 1.0 110.037 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 11.7 t -57.19 -46.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 113.252 -1.794 . . . . 1.0 109.684 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . 0.493 ' O ' ' SD ' ' A' 1842 ' ' MET . 71.3 mt-30 -50.63 -30.14 12.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.689 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.65 -37.1 62.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.851 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . 0.41 ' C ' ' H ' ' A' 1842 ' ' MET . 8.0 mm -73.55 -38.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.013 -0.675 . . . . 1.0 109.321 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.28 41.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.533 0.206 . . . . 1.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' 1838 ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' 1853 ' ' HIS . 3.9 mp . . . . . 0 N--CA 1.468 0.474 0 CA-C-O 121.495 0.664 . . . . 1.0 111.696 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.623 ' N ' HG22 ' A' 1852 ' ' ILE . 2.2 t-80 -84.06 121.14 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.748 -1.114 . . . . 1.0 110.578 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 19.3 t -59.66 -40.74 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.777 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.13 -38.64 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.235 -0.586 . . . . 1.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.49 -42.83 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.17 -44.59 92.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.755 -0.461 . . . . 1.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.72 -50.03 75.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.099 0.476 . . . . 1.0 110.855 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.19 -34.17 77.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.403 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.46 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.207 -0.597 . . . . 1.0 111.083 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' 1865 ' ' VAL . 6.9 m-85 -74.77 -21.75 59.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.173 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 98.1 m -80.25 -33.34 37.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.114 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -46.16 17.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -51.47 -41.04 60.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1861 ' ' PHE . 3.1 t . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 121.001 0.429 . . . . 1.0 110.897 -178.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.465 0.314 0 CA-C-O 120.908 0.385 . . . . 1.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.53 -32.19 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 24.1 t0 -48.57 -31.4 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 1.0 110.448 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.77 -44.78 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.494 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.74 -48.79 58.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.393 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.63 -52.99 31.69 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.283 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 1.5 ptt? -53.32 -36.29 61.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 1.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 27.6 t80 -62.78 -41.19 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -70.28 -31.01 68.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.852 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.93 -40.36 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.297 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.0 t -77.75 -38.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -53.98 -44.39 70.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.023 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -54.01 -28.21 36.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.553 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 51.8 mttm -70.84 -35.45 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . 0.428 ' O ' ' OD1' ' A' 1806 ' ' ASP . 44.9 m-85 -95.57 -7.82 36.77 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' 1805 ' ' PHE . 4.8 m-20 -159.94 87.57 1.95 Allowed Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 120.62 -0.432 . . . . 1.0 111.633 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -83.44 -2.24 10.47 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.5 2.133 . . . . 1.0 111.828 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.27 -6.48 56.74 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.245 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.03 29.48 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.236 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.1 p -68.18 -32.52 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . 0.425 ' HB2' ' HE2' ' A' 1853 ' ' HIS . 32.9 mt-30 75.02 21.26 2.0 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -128.98 152.55 48.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.1 tt -144.41 145.71 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.37 143.27 35.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.096 -0.642 . . . . 1.0 111.586 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.41 -44.46 76.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.293 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.06 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.202 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.76 -2.23 25.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.643 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.3 tp -68.4 -48.71 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.539 . . . . 1.0 111.251 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.2 m -50.58 -34.54 26.17 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.509 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.69 -60.55 2.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.555 ' CZ ' HD21 ' A' 1825 ' ' LEU . 54.8 t80 -46.44 -43.72 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.98 -36.78 29.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.25 -0.887 . . . . 1.0 111.922 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' 1833 ' ' LYS . 1.9 m-20 -95.91 3.04 53.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.235 0.541 . . . . 1.0 110.056 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -87.86 -23.23 24.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.917 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.555 HD21 ' CZ ' ' A' 1821 ' ' PHE . 85.2 mt -72.94 170.54 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.344 0.592 . . . . 1.0 110.736 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.95 154.62 47.04 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.258 -0.883 . . . . 1.0 108.695 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' 1829 ' ' LEU . 12.4 Cg_endo -55.63 148.25 55.25 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.757 1.638 . . . . 1.0 110.637 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.33 48.43 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.924 0 CA-C-N 119.81 0.968 . . . . 1.0 113.057 0.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' 1827 ' ' PRO . 14.3 mt -132.2 -3.68 3.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.258 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.95 123.31 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.483 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.569 HG22 ' OD1' ' A' 1835 ' ' ASN . 20.7 mt -115.73 106.98 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 N-CA-C 107.623 -1.251 . . . . 1.0 107.623 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -57.16 149.56 19.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.177 0.513 . . . . 1.0 111.524 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.488 ' N ' ' OD2' ' A' 1823 ' ' ASP . 8.7 ptmm? -102.22 152.56 38.29 Favored Pre-proline 0 N--CA 1.462 0.167 0 N-CA-C 108.731 -0.84 . . . . 1.0 108.731 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.94 128.07 15.65 Favored 'Cis proline' 0 N--CA 1.505 2.171 0 CA-C-N 119.876 0.991 . . . . 1.0 113.363 0.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.629 ' C ' HD22 ' A' 1835 ' ' ASN . 0.2 OUTLIER -144.24 65.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.163 -1.015 . . . . 1.0 111.37 176.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -83.5 -32.05 26.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.847 0.832 . . . . 1.0 110.66 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.5 t -69.25 -31.92 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.114 -1.403 . . . . 1.0 110.685 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . 0.472 ' O ' ' SD ' ' A' 1842 ' ' MET . 18.7 mm100 -68.94 -31.39 70.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.283 0.563 . . . . 1.0 109.528 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 85.3 mt -79.29 -33.71 43.08 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.245 -0.889 . . . . 1.0 111.123 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 74.2 mt -73.15 -41.52 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.459 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -77.73 43.37 0.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.209 0.528 . . . . 1.0 110.346 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' 1838 ' ' GLN . 79.5 mtp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.544 179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . 0.42 HD13 HG21 ' A' 1852 ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.425 ' HE2' ' HB2' ' A' 1811 ' ' GLN . 16.4 t-80 -104.2 151.61 23.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.372 0.606 . . . . 1.0 110.766 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.0 t -55.39 -31.15 61.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.158 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 73.3 mt -72.33 -35.34 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.649 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.52 -41.53 69.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.0 110.325 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.31 -41.08 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.593 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.28 -49.88 73.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.167 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.4 t80 -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.732 0.271 . . . . 1.0 111.732 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.0 110.886 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.35 -22.54 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.839 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.8 m -79.19 -33.88 43.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.244 -0.651 . . . . 1.0 109.244 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -73.96 -48.61 29.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.232 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.83 -41.67 64.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.167 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' 1865 ' ' VAL . 93.4 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.846 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1791 ' ' SER . . . . . 0.464 ' O ' ' OD2' ' A' 1794 ' ' ASP . 70.1 p . . . . . 0 N--CA 1.468 0.425 0 CA-C-O 120.935 0.397 . . . . 1.0 110.123 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -42.97 -37.9 2.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.216 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 47.5 t0 -48.39 -34.47 10.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.471 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1794 ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' 1795 ' ' PHE . 0.6 OUTLIER -70.85 -43.95 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.688 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1795 ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' 1794 ' ' ASP . 8.9 m-85 -50.95 -47.74 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.796 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -68.91 -53.02 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1797 ' ' MET . . . . . . . . . . . . . 4.2 ptt? -54.26 -35.52 62.61 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.915 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 35.7 t80 -64.38 -40.06 95.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.519 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.54 -30.78 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.25 -43.34 99.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.5 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 19.5 t -74.36 -38.15 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.913 -0.773 . . . . 1.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -56.52 -42.59 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.951 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.92 -27.57 61.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.494 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.34 -34.15 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.404 0.621 . . . . 1.0 112.297 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -98.13 -5.52 33.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.013 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -155.36 83.84 3.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.954 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.05 -6.37 12.17 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.284 1.989 . . . . 1.0 111.974 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1808 ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' 1808 ' ' ASP . 4.6 m-20 -88.87 -6.96 56.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.317 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1809 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 63.77 29.53 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 1.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1810 ' ' THR . . . . . . . . . . . . . 4.4 p -68.65 -31.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1811 ' ' GLN . . . . . 0.49 ' O ' ' SG ' ' A' 1854 ' ' CYS . 9.2 mt-30 77.26 20.16 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.682 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -131.46 155.09 47.96 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.168 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.37 147.28 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 109.744 -0.465 . . . . 1.0 109.744 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.41 142.78 32.66 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.537 -0.465 . . . . 1.0 111.088 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.54 -44.64 81.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.04 36.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 1.0 110.815 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 48.4 mttm -107.25 -0.39 22.62 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.008 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.8 tp -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.574 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 t -73.53 -35.5 65.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.369 -0.532 . . . . 1.0 110.348 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.45 -24.85 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1821 ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' 1825 ' ' LEU . 60.9 t80 -81.61 -48.2 12.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.505 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.76 26.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.507 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 11.7 p30 -92.96 1.32 57.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.956 0.408 . . . . 1.0 110.053 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.85 -24.72 24.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.501 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1825 ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' 1821 ' ' PHE . 95.3 mt -71.34 172.64 9.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.245 0.545 . . . . 1.0 110.866 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1826 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.0 OUTLIER -115.98 156.28 46.9 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 108.493 -0.929 . . . . 1.0 108.493 178.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1827 ' ' PRO . . . . . 0.468 ' HA ' ' H ' ' A' 1829 ' ' LEU . 18.0 Cg_endo -59.17 147.88 88.45 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.078 1.852 . . . . 1.0 110.646 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -88.55 50.2 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.944 0 CA-C-N 119.715 0.934 . . . . 1.0 113.136 0.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1829 ' ' LEU . . . . . 0.468 ' H ' ' HA ' ' A' 1827 ' ' PRO . 6.2 mt -133.35 -6.55 2.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.856 0.36 . . . . 1.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1830 ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' 1831 ' ' ILE . 10.8 tp -76.82 126.79 31.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.574 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1831 ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' 1830 ' ' LEU . 92.3 mt -116.96 105.0 17.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1832 ' ' ALA . . . . . 0.513 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -103.07 113.99 27.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.179 0.99 . . . . 1.0 110.619 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1833 ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' 1832 ' ' ALA . 1.1 mttp -32.16 157.98 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 112.461 -2.154 . . . . 1.0 110.385 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.52 90.02 0.12 OUTLIER 'Cis proline' 0 N--CA 1.495 1.601 0 N-CA-C 115.528 1.318 . . . . 1.0 115.528 1.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1835 ' ' ASN . . . . . 0.536 ' ND2' ' N ' ' A' 1835 ' ' ASN . 0.1 OUTLIER -144.84 64.3 1.29 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.575 0.702 . . . . 1.0 109.54 175.431 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -84.5 -35.5 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.674 -1.148 . . . . 1.0 111.634 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1837 ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' 1837 ' ' VAL . 7.8 t -52.23 -49.07 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 114.112 -1.404 . . . . 1.0 110.378 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1838 ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' 1838 ' ' GLN . 3.5 mp0 -48.61 -32.53 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.241 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.45 -42.33 87.77 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.24 -37.2 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.95 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.279 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1842 ' ' MET . . . . . . . . . . . . . 4.1 mtp . . . . . 0 C--N 1.326 -0.423 0 CA-C-O 120.68 0.276 . . . . 1.0 110.824 179.783 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 1852 ' ' ILE . . . . . 0.587 HG22 ' N ' ' A' 1853 ' ' HIS . 39.8 mt . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 112.238 0.458 . . . . 1.0 112.238 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1853 ' ' HIS . . . . . 0.587 ' N ' HG22 ' A' 1852 ' ' ILE . 2.8 t-80 -103.62 121.77 43.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.326 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1854 ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' 1811 ' ' GLN . 6.2 p -57.51 -46.44 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.704 -0.225 . . . . 1.0 110.768 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 24.4 mt -51.42 -38.51 53.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.813 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.63 -46.77 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.065 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.4 mt -57.95 -44.6 87.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1858 ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' 1862 ' ' THR . 24.5 tp -64.08 -50.04 69.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 1.0 110.978 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -68.52 -36.36 78.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.779 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.47 -39.44 74.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.411 -0.515 . . . . 1.0 111.063 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1861 ' ' PHE . . . . . 0.491 ' O ' HG22 ' A' 1865 ' ' VAL . 5.2 m-85 -73.7 -22.35 59.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.078 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1862 ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' 1858 ' ' LEU . 24.9 m -79.31 -32.0 43.36 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.098 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 26.8 mmtm -77.64 -44.21 28.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.828 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -52.54 -40.94 63.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.463 0.649 . . . . 1.0 111.256 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1865 ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' 1861 ' ' PHE . 27.6 m . . . . . 0 CA--C 1.538 0.506 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.47 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.82 0.343 . . . . 1.0 110.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' 1780 ' ' SER . 63.4 t30 51.08 -177.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.584 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . 0.475 ' H ' ' CG ' ' A' 1778 ' ' ASN . 32.7 t80 60.79 -75.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.902 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' 1778 ' ' ASN . 19.9 m -77.95 54.91 1.36 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.84 -0.618 . . . . 1.0 110.809 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.445 ' H ' HG22 ' A' 1781 ' ' VAL . 4.0 m -88.72 19.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 121.132 0.491 . . . . 1.0 110.547 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -84.11 20.67 1.52 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.576 -0.738 . . . . 1.0 110.645 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 14.5 t -105.43 -32.82 8.37 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.291 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -41.57 130.41 3.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.123 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 65.5 47.02 2.35 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.921 -0.582 . . . . 1.0 110.962 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 13.8 t -86.54 40.34 0.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.872 0.368 . . . . 1.0 110.478 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -177.17 147.47 0.55 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.435 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -79.46 144.3 61.29 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.342 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -38.79 -49.68 2.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 122.258 1.972 . . . . 1.0 112.789 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . 0.517 HD23 ' C ' ' A' 1790 ' ' LEU . 2.9 tt -80.9 96.76 7.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.862 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . 0.525 ' N ' ' OD2' ' A' 1794 ' ' ASP . 24.2 t -107.08 179.25 4.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.725 -0.671 . . . . 1.0 110.539 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' 1792 ' ' GLU . 2.9 mp0 -60.24 -36.66 78.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -48.43 -28.07 3.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.252 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . 0.525 ' OD2' ' N ' ' A' 1791 ' ' SER . 8.4 m-20 -78.49 -43.01 28.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.425 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -51.6 -50.18 60.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.639 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -67.24 -44.15 80.17 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.898 -0.321 . . . . 1.0 110.74 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' 1797 ' ' MET . 15.6 tmm? -58.28 -35.95 72.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.442 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.7 t80 -61.84 -41.09 97.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.37 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -69.62 -31.88 70.25 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.557 -0.534 . . . . 1.0 109.557 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -60.49 -43.51 96.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.412 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 18.6 t -76.33 -38.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 119.966 -0.694 . . . . 1.0 109.257 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 34.2 t-105 -54.19 -43.27 70.59 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.003 -0.679 . . . . 1.0 110.554 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -55.33 -30.04 59.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.735 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 48.8 mttm -69.83 -34.98 74.4 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.392 0.615 . . . . 1.0 112.421 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -95.95 -7.79 35.6 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 114.996 -1.002 . . . . 1.0 111.003 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -159.01 87.67 2.18 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.669 -0.412 . . . . 1.0 111.527 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -82.79 -2.58 10.96 Favored 'Trans proline' 0 N--CA 1.491 1.325 0 C-N-CA 122.388 2.059 . . . . 1.0 111.484 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 12.6 t70 -87.39 -8.56 56.43 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.106 -0.497 . . . . 1.0 111.326 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.29 29.11 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.038 0.447 . . . . 1.0 110.301 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . 0.455 HG23 ' H ' ' A' 1812 ' ' PHE . 1.3 t -68.29 -31.93 71.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.759 -0.655 . . . . 1.0 110.122 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 74.67 20.28 2.41 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.317 -0.856 . . . . 1.0 111.294 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . 0.455 ' H ' HG23 ' A' 1810 ' ' THR . 78.5 m-85 -130.76 153.62 48.84 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 109.209 -0.663 . . . . 1.0 109.209 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.5 tt -144.16 148.18 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 CA-C-N 118.852 0.751 . . . . 1.0 110.261 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -81.88 143.43 31.7 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 120.507 -0.477 . . . . 1.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' A' 1815 ' ' PHE . 25.3 t80 -58.48 -44.28 89.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.475 -0.329 . . . . 1.0 111.676 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.1 -23.67 35.5 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.532 -0.467 . . . . 1.0 110.41 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -104.16 -4.05 23.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.718 -0.673 . . . . 1.0 111.001 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.0 tp -68.43 -49.18 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.517 -0.473 . . . . 1.0 111.199 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 21.2 p -50.11 -34.21 21.28 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.117 -0.633 . . . . 1.0 110.273 -179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' 1820 ' ' ASP . 0.5 OUTLIER -71.75 -60.71 2.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 179.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.534 ' CZ ' HD21 ' A' 1825 ' ' LEU . 59.8 t80 -46.86 -44.93 19.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.198 -0.91 . . . . 1.0 109.633 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.45 -36.17 21.73 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.2 -0.909 . . . . 1.0 112.24 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . 0.454 ' OD2' ' NZ ' ' A' 1833 ' ' LYS . 1.1 p30 -96.45 4.67 51.99 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 121.371 0.605 . . . . 1.0 109.964 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -88.82 -22.71 23.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 114.907 -1.042 . . . . 1.0 110.287 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.534 HD21 ' CZ ' ' A' 1821 ' ' PHE . 90.7 mt -72.76 168.05 19.6 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.772 -0.371 . . . . 1.0 110.189 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -114.0 150.31 43.32 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.023 -0.732 . . . . 1.0 109.023 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.41 ' HA ' ' H ' ' A' 1829 ' ' LEU . 71.4 Cg_exo -47.35 148.19 5.25 Favored 'Trans proline' 0 N--CA 1.491 1.37 0 C-N-CA 120.939 1.092 . . . . 1.0 110.867 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -88.29 46.76 1.1 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.9 1.0 . . . . 1.0 112.357 -0.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.41 ' H ' ' HA ' ' A' 1827 ' ' PRO . 20.0 mt -132.17 -3.3 3.51 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-O 120.94 0.4 . . . . 1.0 110.704 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' 1831 ' ' ILE . 16.6 tp -80.9 124.05 28.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 1.0 112.399 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' 1830 ' ' LEU . 64.7 mt -113.91 104.89 17.68 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 N-CA-C 106.797 -1.557 . . . . 1.0 106.797 176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.552 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.8 151.41 34.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.931 0.396 . . . . 1.0 111.661 -177.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.454 ' NZ ' ' OD2' ' A' 1823 ' ' ASP . 0.0 OUTLIER -89.66 160.75 40.86 Favored Pre-proline 0 C--N 1.325 -0.472 0 N-CA-C 107.048 -1.464 . . . . 1.0 107.048 177.34 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' 1836 ' ' LYS . 40.2 Cg_endo -88.77 38.56 3.48 Favored 'Cis proline' 0 N--CA 1.496 1.661 0 C-N-CA 124.822 -0.907 . . . . 1.0 114.111 1.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.552 ' ND2' ' O ' ' A' 1832 ' ' ALA . 74.5 m-20 -67.91 69.68 0.13 Allowed 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 118.884 -1.126 . . . . 1.0 111.261 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' 1834 ' ' PRO . 3.2 ttmp? -80.32 -33.65 37.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.227 -0.897 . . . . 1.0 111.188 177.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 24.3 t -60.93 -48.85 87.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 114.232 -1.349 . . . . 1.0 110.034 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . 0.414 ' NE2' HH22 ' A' 1864 ' ' ARG . 20.8 mt-30 -49.81 -25.61 3.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.022 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 15.4 mt -77.11 -36.48 55.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.846 -0.616 . . . . 1.0 110.517 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 76.1 mt -74.94 -40.31 45.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -57.59 -27.24 62.54 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 122.515 0.326 . . . . 1.0 110.798 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.808 ' SD ' HD11 ' A' 1844 ' ' LEU . 3.2 ppp? -113.96 34.13 4.82 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.623 0.249 . . . . 1.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 16.2 t70 -37.21 115.47 0.39 Allowed 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.097 -0.501 . . . . 1.0 111.025 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.934 ' H ' HD12 ' A' 1844 ' ' LEU . 0.4 OUTLIER -90.73 137.31 27.07 Favored Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.978 -179.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . 0.411 ' C ' ' O ' ' A' 1844 ' ' LEU . 65.8 Cg_exo -37.4 129.97 0.67 Allowed 'Trans proline' 0 N--CA 1.486 1.087 0 C-N-CA 121.906 1.737 . . . . 1.0 111.277 178.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 18.9 mtt -105.72 131.74 52.71 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.068 0.461 . . . . 1.0 111.226 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.513 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -87.14 -175.25 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 107.707 -1.219 . . . . 1.0 107.707 178.56 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.807 ' O ' ' N ' ' A' 1850 ' ' ASP . 0.1 OUTLIER 3.3 114.84 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.303 1.002 . . . . 1.0 112.739 -179.258 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 6.59 -48.24 0.0 OUTLIER Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.028 1.171 . . . . 1.0 116.028 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.807 ' N ' ' O ' ' A' 1848 ' ' SER . 24.8 t70 -135.39 66.97 1.5 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 117.937 0.868 . . . . 1.0 111.368 179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' 1847 ' ' VAL . 11.9 ttp180 -168.68 138.44 2.34 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 120.384 -0.526 . . . . 1.0 111.666 179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 13.9 mt -109.8 147.88 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-O 121.517 0.675 . . . . 1.0 112.31 -177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -83.68 125.41 31.84 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 114.514 -1.221 . . . . 1.0 112.249 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 52.6 t -60.62 -43.76 97.12 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 121.248 -0.181 . . . . 1.0 110.617 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 28.0 mt -53.88 -36.61 62.83 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.063 -0.655 . . . . 1.0 109.495 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 35.8 t0 -71.92 -45.09 62.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.202 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 95.7 mt -59.57 -44.27 92.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 N-CA-C 109.931 -0.396 . . . . 1.0 109.931 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 26.4 tp -62.25 -49.31 76.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.432 -179.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -51.63 64.17 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.359 -0.382 . . . . 1.0 111.437 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -53.99 -35.47 61.88 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.049 -0.661 . . . . 1.0 110.756 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.29 -26.92 60.48 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.809 -0.632 . . . . 1.0 110.568 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.6 p -77.13 -35.65 56.07 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.463 -0.569 . . . . 1.0 109.463 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' 1867 ' ' GLY . 48.0 mtmt -73.75 -49.05 27.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.324 179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . 0.414 HH22 ' NE2' ' A' 1838 ' ' GLN . 50.0 ttt180 -52.58 -41.55 63.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.428 0.632 . . . . 1.0 111.629 179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.418 ' O ' HG12 ' A' 1865 ' ' VAL . 87.7 t -81.24 -15.03 12.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 114.942 -1.026 . . . . 1.0 110.94 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . 0.437 ' C ' ' H ' ' A' 1868 ' ' GLU . 47.8 tp -104.29 -15.49 15.45 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 120.671 0.272 . . . . 1.0 111.106 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -75.57 20.0 2.35 Favored Glycine 0 CA--C 1.525 0.661 0 C-N-CA 120.716 -0.754 . . . . 1.0 111.286 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' 1866 ' ' LEU . 38.3 mt-10 -81.54 -69.45 0.61 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.021 0.439 . . . . 1.0 110.467 179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 53.4 p -154.2 59.87 0.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' 1872 ' ' MET . . . -178.53 132.0 1.84 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 6.1 tp10 65.56 -4.51 0.57 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.931 0.396 . . . . 1.0 110.327 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . 0.475 ' H ' ' C ' ' A' 1870 ' ' GLY . 11.0 ptm -72.49 -17.01 61.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.585 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -78.57 -25.5 45.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.588 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -47.13 -29.77 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.572 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . 0.449 ' H ' HD12 ' A' 1875 ' ' LEU . 5.2 mp -79.73 -33.43 40.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.652 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -62.35 -19.79 63.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.599 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 11.8 mm -77.7 -20.55 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.441 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -61.64 -28.49 69.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.501 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 87.3 mtp -48.7 -56.4 8.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.532 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' 1880 ' ' GLU . 4.1 mp0 -55.36 -38.6 69.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.469 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' 1880 ' ' GLU . 44.4 tt0 59.17 148.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.628 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 36.9 ttp180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.992 -1.004 . . . . 1.0 110.555 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 N--CA 1.464 0.274 0 CA-C-O 120.798 0.332 . . . . 1.0 110.295 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -156.79 16.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.732 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -87.23 -25.25 24.09 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.506 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.477 ' C ' ' H ' ' A' 1782 ' ' ALA . 6.1 p 179.27 84.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' 1781 ' ' VAL . 9.3 p -65.44 0.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.453 0.644 . . . . 1.0 110.395 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' 1780 ' ' SER . . . 39.27 71.45 0.17 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.062 -0.972 . . . . 1.0 110.91 179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -90.53 -48.06 7.32 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.493 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -172.88 -21.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.677 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -59.52 -25.82 64.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.638 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 22.7 t -79.02 51.08 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.61 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -177.33 71.59 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.588 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . 0.561 ' CD ' ' H ' ' A' 1788 ' ' GLU . 2.1 pm0 -94.35 152.94 40.52 Favored Pre-proline 0 CA--C 1.534 0.351 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.999 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.57 -71.6 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.519 0 C-N-CA 122.313 2.009 . . . . 1.0 112.061 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 6.8 tt -105.25 115.38 30.16 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.346 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 57.9 m -101.04 173.84 6.28 Favored 'General case' 0 CA--C 1.521 -0.153 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.113 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -56.76 -30.51 63.66 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.38 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -48.43 -29.09 3.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.671 -0.695 . . . . 1.0 110.627 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -77.73 -43.37 31.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.531 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -50.8 -49.18 59.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 1.0 109.985 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.86 -48.9 70.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.46 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' 1797 ' ' MET . 17.5 tmm? -55.58 -36.6 67.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.473 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.4 t80 -61.92 -42.33 98.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.476 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -70.56 -31.89 69.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.901 0.381 . . . . 1.0 110.042 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.55 -40.93 88.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.153 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 26.3 t -78.06 -38.97 24.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 109.332 -0.618 . . . . 1.0 109.332 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 28.4 t-105 -54.6 -42.97 71.76 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.108 -0.637 . . . . 1.0 110.715 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -55.33 -29.92 59.26 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.494 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 42.3 mtpt -68.1 -35.3 77.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.369 0.604 . . . . 1.0 112.422 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -96.48 -6.75 36.46 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 114.842 -1.072 . . . . 1.0 111.297 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -157.11 86.01 2.82 Favored Pre-proline 0 C--N 1.331 -0.229 0 C-N-CA 120.82 -0.352 . . . . 1.0 111.29 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -82.5 -5.01 11.73 Favored 'Trans proline' 0 C--N 1.312 -1.356 0 C-N-CA 122.279 1.986 . . . . 1.0 111.848 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 10.5 t70 -88.68 -4.91 58.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.182 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.59 28.41 16.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.481 -0.327 . . . . 1.0 110.882 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 2.8 p -68.54 -31.56 70.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.229 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 73.64 22.15 2.66 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.546 -0.752 . . . . 1.0 110.998 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -130.56 152.93 49.4 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.326 -0.62 . . . . 1.0 109.326 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.3 tt -143.46 146.27 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 CA-C-N 118.77 0.714 . . . . 1.0 109.714 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -82.33 144.27 30.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.981 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 84.1 t80 -58.14 -43.96 87.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.971 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -53.58 -25.32 16.76 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 120.727 -0.389 . . . . 1.0 111.315 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.1 3.7 22.25 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.432 -179.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 31.3 tp -67.1 -33.2 74.95 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.218 -0.593 . . . . 1.0 109.925 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 16.1 p -66.63 -34.85 78.78 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.709 -0.396 . . . . 1.0 110.6 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.63 -24.02 64.5 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.291 -0.633 . . . . 1.0 109.291 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.54 ' CZ ' HD21 ' A' 1825 ' ' LEU . 51.6 t80 -82.3 -47.73 12.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.902 -1.044 . . . . 1.0 111.066 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.82 31.57 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.352 -0.84 . . . . 1.0 112.55 -178.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1823 ' ' ASP . 7.6 t0 -94.28 2.41 55.87 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.028 0.442 . . . . 1.0 110.136 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.9 -25.64 26.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.841 -0.618 . . . . 1.0 110.086 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.54 HD21 ' CZ ' ' A' 1821 ' ' PHE . 84.2 mt -72.53 168.92 17.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 1.0 110.804 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -115.14 149.99 43.56 Favored Pre-proline 0 N--CA 1.465 0.311 0 CA-C-N 115.625 -0.716 . . . . 1.0 109.477 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.434 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.3 Cg_exo -45.25 148.42 1.9 Allowed 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 121.448 1.432 . . . . 1.0 111.518 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -89.55 49.49 0.98 Allowed 'Cis proline' 0 N--CA 1.5 1.887 0 CA-C-N 119.777 0.956 . . . . 1.0 111.99 -0.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.434 ' H ' ' HA ' ' A' 1827 ' ' PRO . 95.9 mt -132.22 -2.84 3.51 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.214 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 19.9 tp -82.37 122.85 28.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.992 -0.549 . . . . 1.0 112.357 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.48 ' CG2' ' OD1' ' A' 1835 ' ' ASN . 16.0 mt -112.31 104.43 17.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 N-CA-C 106.516 -1.661 . . . . 1.0 106.516 176.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.01 152.38 16.57 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.141 0.496 . . . . 1.0 112.113 -177.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.454 ' HA ' HD22 ' A' 1835 ' ' ASN . 32.1 mttm -96.01 156.82 36.71 Favored Pre-proline 0 CA--C 1.531 0.212 0 N-CA-C 108.787 -0.82 . . . . 1.0 108.787 178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -81.06 118.45 5.78 Favored 'Cis proline' 0 N--CA 1.499 1.837 0 C-N-CA 124.294 -1.128 . . . . 1.0 112.647 0.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.78 ' H ' HD22 ' A' 1835 ' ' ASN . 0.0 OUTLIER -138.73 67.11 1.41 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 119.889 -0.724 . . . . 1.0 111.447 178.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -83.8 -34.49 24.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 122.077 0.942 . . . . 1.0 110.507 176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 12.1 t -63.62 -47.62 90.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 113.634 -1.621 . . . . 1.0 110.165 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -50.34 -26.28 4.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.193 -0.603 . . . . 1.0 109.552 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 11.6 mt -77.68 -35.6 52.1 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.221 -0.899 . . . . 1.0 111.114 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 77.5 mt -74.75 -41.48 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.386 -179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.18 -28.19 64.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.416 -0.178 . . . . 1.0 110.765 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' 1843 ' ' ASP . 32.4 ttp -112.97 35.33 3.96 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.254 -0.276 . . . . 1.0 110.254 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' 1842 ' ' MET . 42.0 t0 -33.08 106.48 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 116.057 -0.52 . . . . 1.0 111.224 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.427 ' H ' HD12 ' A' 1844 ' ' LEU . 5.3 mp -80.43 132.7 58.1 Favored Pre-proline 0 CA--C 1.533 0.297 0 CA-C-N 115.88 -0.6 . . . . 1.0 111.516 -178.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 95.0 Cg_exo -40.21 126.66 2.03 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.716 1.611 . . . . 1.0 111.292 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 22.8 mtt -103.14 133.27 48.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.123 0.487 . . . . 1.0 110.868 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.539 ' N ' ' O ' ' A' 1851 ' ' ARG . 0.0 OUTLIER -89.89 -176.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 108.678 -0.86 . . . . 1.0 108.678 179.29 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.809 ' O ' ' N ' ' A' 1850 ' ' ASP . 7.0 t 2.94 112.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 O-C-N 124.301 1.0 . . . . 1.0 112.749 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 15.22 -54.58 0.0 OUTLIER Glycine 0 CA--C 1.541 1.71 0 O-C-N 124.491 1.119 . . . . 1.0 115.713 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.809 ' N ' ' O ' ' A' 1848 ' ' SER . 16.3 t0 -134.41 70.08 1.45 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 117.312 0.556 . . . . 1.0 111.877 179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.539 ' O ' ' N ' ' A' 1847 ' ' VAL . 34.3 mtm180 -165.17 134.65 3.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.834 0.35 . . . . 1.0 111.775 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.22 142.35 17.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 CA-C-N 115.633 -0.712 . . . . 1.0 111.569 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -82.81 123.76 29.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.091 -0.959 . . . . 1.0 111.899 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 29.7 t -63.34 -35.76 81.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.478 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.45 -39.43 79.84 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.236 -0.586 . . . . 1.0 109.484 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -70.44 -44.75 67.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.267 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.07 -44.97 88.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 25.3 tp -62.59 -49.69 74.25 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.822 0.344 . . . . 1.0 111.387 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 18.0 t80 -70.12 -36.3 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.393 . . . . 1.0 111.33 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.03 -38.41 79.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.526 -0.469 . . . . 1.0 110.956 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' 1865 ' ' VAL . 4.8 m-85 -75.19 -21.52 58.64 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.665 -0.698 . . . . 1.0 109.94 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.7 m -77.63 -32.95 53.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.0 0.428 . . . . 1.0 110.277 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -79.17 -46.04 18.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.877 -0.601 . . . . 1.0 111.031 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.1 ttp85 -51.02 -41.44 59.81 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.5 0.556 . . . . 1.0 112.5 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' 1861 ' ' PHE . 3.3 t -38.69 -48.29 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.872 -179.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . 0.425 ' H ' HD12 ' A' 1866 ' ' LEU . 3.4 mp -93.43 -41.39 9.84 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.147 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . 36.73 43.85 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.541 -0.623 . . . . 1.0 111.541 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -155.73 66.64 0.61 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.943 -0.391 . . . . 1.0 109.943 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' 1870 ' ' GLY . 4.8 t 64.29 29.92 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.216 -179.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . 0.469 ' C ' ' H ' ' A' 1872 ' ' MET . . . -42.19 -96.15 0.01 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.157 -0.777 . . . . 1.0 111.157 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 53.18 9.27 0.13 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.915 0.388 . . . . 1.0 110.505 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . 0.469 ' H ' ' C ' ' A' 1870 ' ' GLY . 37.1 tpp -78.22 -28.94 48.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.65 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.59 -15.15 60.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.721 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -78.84 -34.38 45.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.599 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . 0.414 HD12 ' N ' ' A' 1875 ' ' LEU . 6.5 mp -80.31 -29.0 38.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.487 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . 0.498 ' C ' ' H ' ' A' 1878 ' ' GLN . 1.1 mmp_? -92.95 14.09 18.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 1.0 110.24 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 8.1 tp -63.37 1.12 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.393 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . 0.498 ' H ' ' C ' ' A' 1876 ' ' ARG . 34.3 tp60 69.36 27.75 4.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.731 -0.668 . . . . 1.0 110.029 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' 1879 ' ' MET . 2.5 mpp? 41.74 27.39 0.06 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.772 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.91 -12.93 5.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.519 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -78.14 50.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.552 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 61.2 mtm180 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 118.023 -0.989 . . . . 1.0 110.607 179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . 0.472 ' CD ' ' N ' ' A' 1777 ' ' GLU . 23.1 mp0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.695 0.283 . . . . 1.0 110.672 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . 0.421 ' O ' ' O ' ' A' 1777 ' ' GLU . 8.5 m120 56.71 112.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -59.03 -162.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.554 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' 1782 ' ' ALA . 5.9 m -161.57 44.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.505 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.452 ' H ' HG22 ' A' 1781 ' ' VAL . 3.8 m -77.0 21.04 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.187 0.518 . . . . 1.0 110.443 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.454 ' H ' ' C ' ' A' 1780 ' ' SER . . . -80.24 55.55 2.24 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.526 -0.761 . . . . 1.0 110.594 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -61.24 125.22 22.95 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.111 0.482 . . . . 1.0 110.376 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.09 -16.44 61.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.583 -0.735 . . . . 1.0 110.546 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.54 -11.92 13.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.617 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 38.6 t -78.1 64.95 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.623 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -76.2 99.21 4.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -144.56 152.27 52.62 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.957 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -71.65 -55.08 0.13 Allowed 'Trans proline' 0 N--CA 1.494 1.551 0 C-N-CA 122.08 1.853 . . . . 1.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . 0.5 HD23 ' C ' ' A' 1790 ' ' LEU . 2.5 tt -85.78 95.38 9.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.238 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 41.8 m -102.36 179.17 4.38 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.99 -32.48 72.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.626 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' 1794 ' ' ASP . 28.4 p-10 -48.36 -28.83 3.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.469 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.0 m-20 -78.13 -42.99 30.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.458 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -51.26 -49.85 60.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.235 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -67.85 -51.06 52.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 1.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 38.7 ttp -52.64 -35.36 54.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 34.5 t80 -63.6 -39.9 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.448 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -70.39 -31.51 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.712 -0.395 . . . . 1.0 110.026 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -60.51 -45.57 93.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 1.0 110.275 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.6 t -72.48 -38.74 60.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 119.842 -0.743 . . . . 1.0 109.211 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.9 t-105 -56.13 -42.14 76.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.875 -0.602 . . . . 1.0 111.383 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -56.72 -28.58 61.25 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 121.025 -0.27 . . . . 1.0 111.461 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 53.1 mttm -68.62 -34.65 76.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.331 0.586 . . . . 1.0 112.359 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -98.05 -4.76 35.33 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.089 -0.96 . . . . 1.0 111.093 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 38.0 t0 -154.75 82.82 4.06 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.536 -0.302 . . . . 1.0 110.672 -179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 94.8 Cg_endo -80.58 -7.9 13.63 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.214 1.943 . . . . 1.0 111.882 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -87.86 -4.92 58.82 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.089 -0.505 . . . . 1.0 111.262 -179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.43 26.78 15.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.793 0.33 . . . . 1.0 110.565 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 13.7 p -66.38 -31.31 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.648 -0.501 . . . . 1.0 109.648 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 75.7 20.53 1.82 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.476 -0.784 . . . . 1.0 110.648 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -130.76 155.9 45.88 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.081 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.3 tt -142.43 147.16 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -80.35 141.02 35.8 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.793 0.33 . . . . 1.0 111.161 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.99 -45.22 79.05 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.211 -0.449 . . . . 1.0 111.397 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.28 -23.81 38.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 1.0 110.726 -179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 26.9 ttmt -107.28 0.38 23.11 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.103 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.0 tp -69.67 -24.67 63.64 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.745 -0.382 . . . . 1.0 110.85 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . 0.503 ' OG ' ' NZ ' ' A' 1836 ' ' LYS . 60.9 m -74.43 -34.93 63.35 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.556 -0.458 . . . . 1.0 110.353 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 58.0 t0 -68.97 -22.5 64.11 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.414 -0.587 . . . . 1.0 109.414 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.52 ' CZ ' HD21 ' A' 1825 ' ' LEU . 56.8 t80 -82.81 -47.39 11.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.666 -1.152 . . . . 1.0 111.02 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.77 34.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.578 -0.737 . . . . 1.0 112.539 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -93.72 1.95 56.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.926 0.393 . . . . 1.0 110.137 178.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.77 -26.36 27.62 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.145 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.52 HD21 ' CZ ' ' A' 1821 ' ' PHE . 79.0 mt -72.67 164.72 26.06 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.127 0.489 . . . . 1.0 110.7 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.1 OUTLIER -110.71 152.56 43.55 Favored Pre-proline 0 N--CA 1.466 0.352 0 CA-C-N 115.447 -0.797 . . . . 1.0 109.07 178.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.408 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.4 Cg_exo -46.46 146.83 4.69 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.035 1.157 . . . . 1.0 110.81 179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 44.8 Cg_endo -88.77 47.33 1.09 Allowed 'Cis proline' 0 N--CA 1.502 2.004 0 CA-C-N 120.011 1.04 . . . . 1.0 112.078 0.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.408 ' H ' ' HA ' ' A' 1827 ' ' PRO . 80.1 mt -131.79 -3.06 3.68 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.558 -0.292 . . . . 1.0 110.912 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.4 tp -81.56 122.64 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.17 0.509 . . . . 1.0 112.167 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.459 ' CG2' ' ND2' ' A' 1835 ' ' ASN . 67.7 mt -115.27 106.45 20.57 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.127 0 N-CA-C 107.663 -1.236 . . . . 1.0 107.663 177.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.92 150.73 16.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 1.0 111.651 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.23 159.27 30.56 Favored Pre-proline 0 N--CA 1.464 0.236 0 N-CA-C 108.405 -0.961 . . . . 1.0 108.405 178.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -78.49 121.16 7.76 Favored 'Cis proline' 0 N--CA 1.502 2.028 0 C-N-CA 124.41 -1.079 . . . . 1.0 112.416 0.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.459 ' ND2' ' CG2' ' A' 1831 ' ' ILE . 15.6 p-10 -138.09 67.56 1.41 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 119.332 -0.947 . . . . 1.0 112.327 178.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . 0.503 ' NZ ' ' OG ' ' A' 1819 ' ' SER . 15.1 tptt -82.95 -32.73 26.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.955 0.883 . . . . 1.0 110.132 175.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.2 t -68.4 -31.42 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-N 113.702 -1.59 . . . . 1.0 110.268 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -67.1 -30.1 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.615 0.721 . . . . 1.0 109.228 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -79.83 -33.63 40.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.648 -1.16 . . . . 1.0 111.333 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . 0.461 ' C ' ' H ' ' A' 1842 ' ' MET . 85.9 mt -74.49 -41.47 49.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.421 0 C-N-CA 120.593 -0.443 . . . . 1.0 110.564 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -71.77 40.01 0.07 Allowed 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 122.154 -0.341 . . . . 1.0 111.157 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.762 ' SD ' HD11 ' A' 1844 ' ' LEU . 1.9 ppp? -177.21 27.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.073 0.464 . . . . 1.0 109.831 178.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -34.92 122.83 0.56 Allowed 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.182 -0.917 . . . . 1.0 111.24 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.762 HD11 ' SD ' ' A' 1842 ' ' MET . 1.6 mp -95.89 141.3 22.97 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.768 -179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 93.6 Cg_exo -41.23 131.21 3.28 Favored 'Trans proline' 0 N--CA 1.489 1.237 0 C-N-CA 121.598 1.532 . . . . 1.0 111.183 179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' 1844 ' ' LEU . 3.3 mmt -105.58 130.72 53.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.194 0.521 . . . . 1.0 111.205 -179.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.509 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -88.49 -176.03 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.434 -0.803 . . . . 1.0 108.87 179.029 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.767 ' O ' ' N ' ' A' 1850 ' ' ASP . 2.3 p 2.94 112.31 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 O-C-N 124.423 1.077 . . . . 1.0 112.805 -179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 11.06 -51.84 0.0 OUTLIER Glycine 0 CA--C 1.543 1.828 0 N-CA-C 116.565 1.386 . . . . 1.0 116.565 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.767 ' N ' ' O ' ' A' 1848 ' ' SER . 23.1 m-20 -131.28 63.35 1.6 Allowed 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.892 0.846 . . . . 1.0 112.216 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.438 ' O ' ' N ' ' A' 1847 ' ' VAL . 40.8 ttp180 -168.62 143.09 3.25 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 119.818 -0.753 . . . . 1.0 112.569 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' 1853 ' ' HIS . 11.0 mt -105.13 165.46 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 116.043 -0.526 . . . . 1.0 112.29 -176.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.494 ' N ' HG22 ' A' 1852 ' ' ILE . 2.5 t-80 -103.8 122.63 45.52 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.065 -0.971 . . . . 1.0 111.045 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 8.3 t -61.85 -43.51 98.71 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.934 -0.121 . . . . 1.0 111.139 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 16.1 mt -51.58 -37.8 51.51 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 119.914 -0.714 . . . . 1.0 109.624 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.5 -44.89 63.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.334 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 97.3 mt -57.36 -46.08 85.41 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 CA-C-N 116.528 -0.305 . . . . 1.0 110.588 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.3 tp -59.45 -50.36 74.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.119 0.485 . . . . 1.0 111.102 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.93 -34.03 77.17 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.682 -0.69 . . . . 1.0 111.572 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -69.7 -39.92 76.61 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.926 -0.71 . . . . 1.0 111.265 -178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -75.11 -26.14 59.02 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.734 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 59.2 m -74.08 -34.26 63.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.388 -0.369 . . . . 1.0 110.042 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' 1867 ' ' GLY . 6.6 ttpm? -77.83 -45.82 23.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.4 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -51.78 -41.64 61.81 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.276 0.56 . . . . 1.0 111.458 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' 1865 ' ' VAL . 94.3 t -80.36 -14.77 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.099 -0.955 . . . . 1.0 110.682 178.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.9 tp -102.89 -10.69 18.83 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.978 0.418 . . . . 1.0 110.62 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -55.82 -100.57 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . 0.521 ' OE1' ' N ' ' A' 1868 ' ' GLU . 19.5 mp0 -73.31 66.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 1.0 110.571 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 44.6 t -172.62 -35.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.724 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -82.71 160.37 39.24 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 1.0 111.186 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -86.15 -5.67 59.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 1.0 110.372 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 5.2 mmt -54.62 -30.44 54.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.411 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -58.87 -15.56 13.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.567 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.14 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.379 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.8 mt -75.76 -17.05 60.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.417 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.64 -30.65 61.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.323 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . 0.498 ' C ' ' H ' ' A' 1879 ' ' MET . 63.5 mt -66.0 -76.63 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.592 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -50.49 -9.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.741 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' 1877 ' ' ILE . 13.4 tpt -159.38 84.42 0.78 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.516 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.13 59.57 5.67 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.383 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 46.4 tt0 -57.14 97.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.544 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 . . . . . 0 C--O 1.218 -0.555 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.62 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.798 0.332 . . . . 1.0 110.559 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -154.49 38.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.434 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 38.1 p90 -170.32 25.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' 1781 ' ' VAL . 43.8 t -57.59 -164.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.546 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.49 ' O ' HG22 ' A' 1781 ' ' VAL . 11.9 p -64.42 -5.18 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.341 0 CA-C-O 121.434 0.635 . . . . 1.0 110.401 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 46.91 -135.74 0.88 Allowed 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.037 -0.983 . . . . 1.0 110.421 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . 0.437 HG23 ' N ' ' A' 1784 ' ' GLU . 14.3 t -110.3 -37.4 5.54 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.322 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . 0.52 ' O ' ' N ' ' A' 1786 ' ' SER . 12.8 mm-40 55.8 -119.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.616 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 52.79 -85.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.393 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' 1784 ' ' GLU . 19.7 t -87.4 72.01 9.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.48 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -156.9 179.17 9.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.575 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -77.83 149.25 77.08 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.274 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.35 -8.56 22.89 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.12 1.88 . . . . 1.0 111.854 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 2.7 mt -93.33 151.01 20.05 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.113 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 7.4 t -124.51 150.35 45.9 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.746 -0.661 . . . . 1.0 109.526 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . 0.586 ' CD ' ' H ' ' A' 1792 ' ' GLU . 5.1 mp0 -70.16 -38.64 75.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.953 0.406 . . . . 1.0 110.255 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -48.45 -28.55 3.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.846 -0.615 . . . . 1.0 110.324 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -74.1 -45.8 46.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.428 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -50.12 -48.87 53.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.051 -179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -64.59 -52.43 57.58 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.817 -0.353 . . . . 1.0 110.902 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -37.35 69.47 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.475 -0.329 . . . . 1.0 110.506 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . 0.416 ' CD1' ' C ' ' A' 1798 ' ' PHE . 30.8 t80 -62.65 -42.38 99.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.76 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -71.61 -31.19 66.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.771 -0.455 . . . . 1.0 109.771 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -61.45 -41.65 97.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.444 -0.343 . . . . 1.0 110.147 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 42.3 t -74.76 -38.81 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 N-CA-C 109.23 -0.656 . . . . 1.0 109.23 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 13.4 t-105 -58.85 -39.64 81.92 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 119.628 -0.829 . . . . 1.0 111.139 -178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -65.33 -30.76 71.64 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.458 . . . . 1.0 112.235 -178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 31.5 mtmm -68.7 -27.33 65.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.54 0.686 . . . . 1.0 110.692 -178.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -67.07 -73.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.791 -1.095 . . . . 1.0 111.353 -178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -119.41 115.94 33.85 Favored Pre-proline 0 CA--C 1.54 0.582 0 O-C-N 122.365 -0.209 . . . . 1.0 110.578 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -80.84 6.44 5.52 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 C-N-CA 122.081 1.854 . . . . 1.0 112.057 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.507 ' O ' ' HB3' ' A' 1809 ' ' ALA . 59.7 m-20 -81.06 -18.95 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.168 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 70.89 27.31 3.5 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.122 0.487 . . . . 1.0 110.237 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' 1811 ' ' GLN . 12.3 p -67.37 -32.91 74.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.544 -0.753 . . . . 1.0 110.674 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . 0.418 ' CB ' ' O ' ' A' 1810 ' ' THR . 1.6 tp-100 78.94 18.61 0.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.164 -0.68 . . . . 1.0 109.164 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -127.59 154.91 44.64 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 114.885 -1.052 . . . . 1.0 109.709 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' A' 1851 ' ' ARG . 13.2 tt -140.49 147.05 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 109.823 -0.436 . . . . 1.0 109.823 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -78.23 135.09 37.52 Favored 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 112.482 0.549 . . . . 1.0 112.482 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 57.5 t80 -52.92 -44.42 66.98 Favored 'General case' 0 N--CA 1.462 0.162 0 C-N-CA 120.357 -0.537 . . . . 1.0 110.996 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.97 -22.73 40.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 1.0 111.089 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -112.03 6.7 19.46 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.077 -0.511 . . . . 1.0 111.418 -178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -69.42 -29.34 67.05 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.829 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.4 p -67.56 -34.67 77.52 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.62 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -67.89 -26.11 65.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.281 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.496 ' CZ ' HD21 ' A' 1825 ' ' LEU . 63.5 t80 -79.58 -48.65 13.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.487 -0.779 . . . . 1.0 110.623 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.3 -37.34 35.89 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.237 -0.892 . . . . 1.0 112.099 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 32.7 t70 -93.73 1.2 56.6 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.884 0.373 . . . . 1.0 110.486 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.88 -24.15 24.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.146 178.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' 1821 ' ' PHE . 86.7 mt -75.03 166.71 23.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.663 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -111.99 150.02 41.76 Favored Pre-proline 0 CA--C 1.533 0.289 0 CA-C-N 115.645 -0.707 . . . . 1.0 109.154 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.422 ' HA ' ' H ' ' A' 1829 ' ' LEU . 77.6 Cg_exo -45.92 148.9 2.45 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 121.247 1.298 . . . . 1.0 111.021 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -88.23 47.28 1.03 Allowed 'Cis proline' 0 N--CA 1.5 1.876 0 CA-C-N 119.72 0.936 . . . . 1.0 112.188 -0.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.422 ' H ' ' HA ' ' A' 1827 ' ' PRO . 10.5 mt -131.61 -3.75 3.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.541 0.21 . . . . 1.0 110.732 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' 1831 ' ' ILE . 13.8 tp -80.89 124.21 28.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.157 0.503 . . . . 1.0 112.183 -178.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' 1830 ' ' LEU . 21.9 mt -115.76 106.16 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 N-CA-C 107.85 -1.167 . . . . 1.0 107.85 177.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -58.13 149.9 22.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.971 0.415 . . . . 1.0 111.467 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.458 ' HA ' HD22 ' A' 1835 ' ' ASN . 5.0 ptpt -97.72 155.98 36.56 Favored Pre-proline 0 N--CA 1.463 0.218 0 N-CA-C 108.912 -0.773 . . . . 1.0 108.912 179.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.94 126.9 13.55 Favored 'Cis proline' 0 N--CA 1.503 2.086 0 C-N-CA 124.643 -0.982 . . . . 1.0 112.689 0.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.458 HD22 ' HA ' ' A' 1833 ' ' LYS . 0.4 OUTLIER -143.07 66.77 1.31 Allowed 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 119.154 -1.018 . . . . 1.0 111.978 177.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.1 mmtt -82.6 -31.64 28.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 122.001 0.905 . . . . 1.0 110.257 175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 10.9 t -67.64 -32.8 58.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 113.821 -1.536 . . . . 1.0 110.629 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . 0.415 ' NE2' ' CG2' ' A' 1831 ' ' ILE . 23.3 mt-30 -69.15 -30.32 68.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.262 0.554 . . . . 1.0 110.035 178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.92 -34.86 44.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.297 -0.865 . . . . 1.0 111.362 179.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.7 mt -74.83 -41.45 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 1.0 111.247 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -61.45 -25.82 67.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.586 0.231 . . . . 1.0 110.841 178.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.471 ' O ' ' C ' ' A' 1843 ' ' ASP . 20.0 ttm -75.81 16.14 0.44 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.605 0.362 . . . . 1.0 111.389 179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . 0.471 ' C ' ' O ' ' A' 1842 ' ' MET . 11.4 t70 20.65 53.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 112.389 0.514 . . . . 1.0 112.389 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.23 113.18 10.33 Favored Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.999 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -47.88 136.07 22.84 Favored 'Trans proline' 0 N--CA 1.486 1.083 0 C-N-CA 120.855 1.037 . . . . 1.0 109.597 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 10.0 mtp -124.66 126.07 45.14 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.751 0.649 . . . . 1.0 112.751 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' 1848 ' ' SER . 27.5 m -86.28 -174.66 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 106.518 -1.66 . . . . 1.0 106.518 175.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.549 ' O ' ' N ' ' A' 1850 ' ' ASP . 5.3 t -24.22 125.99 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.221 0.325 . . . . 1.0 111.431 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' 1848 ' ' SER . . . -27.78 -35.53 0.01 OUTLIER Glycine 0 N--CA 1.472 1.069 0 O-C-N 123.494 0.497 . . . . 1.0 112.558 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.549 ' N ' ' O ' ' A' 1848 ' ' SER . 32.4 t0 -39.26 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 -178.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' A' 1813 ' ' ILE . 0.1 OUTLIER -142.68 -178.66 5.89 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.188 0.518 . . . . 1.0 112.272 -176.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . 0.57 ' N ' HD12 ' A' 1852 ' ' ILE . 3.3 mp -117.26 153.58 19.05 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 115.39 -0.823 . . . . 1.0 112.21 -177.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.4 ' N ' HG22 ' A' 1852 ' ' ILE . 2.3 t-80 -69.96 121.48 17.46 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.712 -1.131 . . . . 1.0 110.763 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 32.1 t -58.95 -42.83 90.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.742 179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 18.3 mt -51.62 -41.5 61.3 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.257 -0.577 . . . . 1.0 109.721 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -68.59 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.293 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . 0.41 HD11 ' HB ' ' A' 1852 ' ' ILE . 86.6 mt -58.32 -44.81 89.08 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.197 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . 0.536 ' O ' HG23 ' A' 1862 ' ' THR . 24.1 tp -64.12 -50.73 67.11 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.692 0.282 . . . . 1.0 110.927 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -66.2 -39.67 89.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.08 0.467 . . . . 1.0 110.788 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.05 90.12 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.638 -0.71 . . . . 1.0 111.229 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . 0.413 ' O ' HG23 ' A' 1865 ' ' VAL . 5.3 m-85 -74.54 -22.12 59.18 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.802 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . 0.536 HG23 ' O ' ' A' 1858 ' ' LEU . 23.3 p -80.26 -31.83 38.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.118 0.485 . . . . 1.0 109.989 179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -79.13 -46.65 17.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.557 -0.747 . . . . 1.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . 0.521 ' NH1' ' OE1' ' A' 1868 ' ' GLU . 12.9 ttp85 -51.67 -41.03 61.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.669 0.618 . . . . 1.0 112.669 -179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.431 HG23 ' H ' ' A' 1865 ' ' VAL . 3.3 t -37.77 -49.34 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 CA-C-N 116.332 -0.395 . . . . 1.0 111.236 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . 0.46 ' C ' ' H ' ' A' 1868 ' ' GLU . 4.5 mm? -90.64 -38.64 12.98 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.759 -0.46 . . . . 1.0 109.759 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -55.59 -6.48 1.12 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.696 -0.962 . . . . 1.0 110.696 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . 0.521 ' OE1' ' NH1' ' A' 1864 ' ' ARG . 11.5 tp10 -113.06 104.74 12.68 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.398 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 14.2 m 59.24 2.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.931 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' 1868 ' ' GLU . . . -99.87 175.8 27.86 Favored Glycine 0 N--CA 1.466 0.638 0 N-CA-C 110.607 -0.997 . . . . 1.0 110.607 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . 0.428 ' H ' ' H ' ' A' 1872 ' ' MET . 11.7 pt-20 -175.47 -9.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 1.0 110.569 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . 0.428 ' H ' ' H ' ' A' 1871 ' ' GLU . 30.1 tpp -55.04 -18.97 5.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.248 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -69.03 -20.83 64.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.661 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -61.19 -24.54 66.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.613 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.9 mt -80.2 -28.66 38.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 60.6 mtm180 -68.75 -26.43 65.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.531 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . 0.496 ' C ' ' H ' ' A' 1879 ' ' MET . 95.7 mt -51.11 -56.49 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.992 0.425 . . . . 1.0 110.287 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -76.63 34.13 0.14 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.862 -0.608 . . . . 1.0 109.706 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . 0.496 ' H ' ' C ' ' A' 1877 ' ' ILE . 55.5 mtt 55.45 47.02 22.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.825 -0.625 . . . . 1.0 110.25 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 54.76 36.3 26.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.563 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 54.6 60.88 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.57 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.99 -1.005 . . . . 1.0 110.565 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 1.3 pm0 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.878 0.371 . . . . 1.0 110.523 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 19.9 t30 -68.22 96.05 0.62 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.522 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -67.34 125.33 25.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.612 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' 1781 ' ' VAL . 90.9 p -172.49 108.3 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.451 ' O ' ' O ' ' A' 1780 ' ' SER . 35.1 m 36.83 -160.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.075 -0.511 . . . . 1.0 111.264 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -163.59 24.29 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.493 -0.322 . . . . 1.0 110.735 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . 0.53 ' O ' ' N ' ' A' 1785 ' ' GLU . 0.0 OUTLIER -69.26 120.98 15.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.96 0.409 . . . . 1.0 110.502 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 37.22 -89.46 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.513 -0.767 . . . . 1.0 110.982 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' 1783 ' ' THR . 11.2 pt-20 -68.87 -135.02 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.439 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 72.2 p -173.9 133.19 0.44 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.775 0.322 . . . . 1.0 110.354 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . 46.33 93.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.439 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . 0.605 ' CD ' ' H ' ' A' 1788 ' ' GLU . 1.5 pm0 -45.06 146.56 1.39 Allowed Pre-proline 0 CA--C 1.535 0.396 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.566 -179.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 95.6 Cg_exo -39.41 -64.96 0.19 Allowed 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 122.218 1.945 . . . . 1.0 112.553 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' 1790 ' ' LEU . 3.3 tt -89.13 102.34 14.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 1.0 110.719 -179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 47.3 t -103.11 178.72 4.48 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.461 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -60.52 -31.93 70.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.799 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -48.47 -30.73 5.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.675 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -76.95 -42.88 37.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.599 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -51.25 -50.0 60.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.182 -179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -67.67 -51.74 46.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.753 0.311 . . . . 1.0 110.416 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 54.6 ttp -52.47 -34.9 51.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.369 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . 0.4 ' CD1' ' C ' ' A' 1798 ' ' PHE . 33.1 t80 -64.15 -40.25 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.429 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -70.16 -30.77 68.0 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.354 179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -61.91 -44.25 97.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.746 0.308 . . . . 1.0 110.423 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 25.0 t -72.83 -38.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 119.851 -0.74 . . . . 1.0 109.132 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.1 t-105 -56.23 -41.98 76.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.65 -0.705 . . . . 1.0 110.994 -178.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.21 -29.06 63.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.593 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 80.6 mttt -68.23 -34.24 75.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.548 0.689 . . . . 1.0 112.239 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -97.39 -5.06 37.17 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.868 -1.06 . . . . 1.0 111.054 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . 0.443 ' OD2' ' N ' ' A' 1811 ' ' GLN . 52.2 t0 -154.1 82.52 4.41 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.551 -0.295 . . . . 1.0 110.551 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -80.75 -9.3 13.31 Favored 'Trans proline' 0 C--N 1.312 -1.343 0 C-N-CA 122.358 2.039 . . . . 1.0 112.315 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.409 ' O ' ' HB3' ' A' 1809 ' ' ALA . 63.0 m-20 -85.94 -4.42 59.16 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.92 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 64.97 25.96 12.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.335 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . 0.403 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 11.0 p -67.27 -32.71 73.91 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . 0.484 ' O ' ' SG ' ' A' 1854 ' ' CYS . 0.0 OUTLIER 77.95 20.02 1.04 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.521 179.509 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -129.07 154.44 46.67 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 109.229 -0.656 . . . . 1.0 109.229 178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 9.6 tt -140.12 147.56 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.967 -0.458 . . . . 1.0 109.986 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . 0.485 ' HB2' ' HZ3' ' A' 1817 ' ' LYS . 50.9 mt-10 -79.02 136.81 37.31 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.918 0.39 . . . . 1.0 111.584 -178.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 89.3 t80 -52.23 -45.39 65.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.968 -0.56 . . . . 1.0 111.083 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.39 -24.03 41.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 1.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . 0.485 ' HZ3' ' HB2' ' A' 1814 ' ' GLU . 35.0 mtmm -107.86 4.43 25.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.484 -0.325 . . . . 1.0 110.981 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.8 tp -70.9 -22.28 62.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.248 -0.581 . . . . 1.0 110.407 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 2.3 m -77.42 -35.0 54.56 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.011 0.434 . . . . 1.0 109.894 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 21.4 t0 -68.25 -24.27 64.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.0 109.294 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.488 ' CZ ' HD21 ' A' 1825 ' ' LEU . 61.6 t80 -81.22 -48.01 12.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.911 -1.041 . . . . 1.0 110.906 179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.54 43.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.59 -0.732 . . . . 1.0 112.484 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.23 1.4 56.01 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.852 0.358 . . . . 1.0 110.469 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.24 -24.47 26.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.954 178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.488 HD21 ' CZ ' ' A' 1821 ' ' PHE . 82.4 mt -73.4 165.67 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.15 0.5 . . . . 1.0 110.587 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.85 157.9 37.25 Favored Pre-proline 0 C--N 1.33 -0.28 0 N-CA-C 108.259 -1.015 . . . . 1.0 108.259 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.436 ' HA ' ' H ' ' A' 1829 ' ' LEU . 15.9 Cg_endo -55.62 147.62 58.45 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.024 1.816 . . . . 1.0 110.554 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -88.06 48.11 0.94 Allowed 'Cis proline' 0 N--CA 1.5 1.893 0 CA-C-N 119.758 0.949 . . . . 1.0 112.879 0.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.436 ' H ' ' HA ' ' A' 1827 ' ' PRO . 67.1 mt -130.75 -3.11 4.15 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.82 0.343 . . . . 1.0 110.147 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 21.5 tp -81.72 123.22 28.56 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.572 0.582 . . . . 1.0 112.572 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . . . . . . . . . 23.9 mt -114.11 105.76 19.33 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 N-CA-C 107.061 -1.459 . . . . 1.0 107.061 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -58.22 150.88 20.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.197 0.523 . . . . 1.0 111.938 -178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 32.1 mttm -96.44 158.15 34.28 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 108.438 -0.949 . . . . 1.0 108.438 178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -78.59 118.41 5.77 Favored 'Cis proline' 0 N--CA 1.499 1.802 0 C-N-CA 124.749 -0.938 . . . . 1.0 112.347 -0.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' A' 1835 ' ' ASN . 8.6 p-10 -142.03 67.26 1.33 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 119.327 -0.949 . . . . 1.0 111.681 178.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 47.1 tttt -83.5 -31.58 26.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.322 1.058 . . . . 1.0 110.292 175.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 20.1 t -64.11 -47.81 88.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 113.328 -1.76 . . . . 1.0 110.724 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . 0.442 ' H ' ' CD ' ' A' 1838 ' ' GLN . 22.2 mp0 -51.06 -26.65 6.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.345 0.593 . . . . 1.0 109.42 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.2 mt -78.45 -34.88 47.47 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 114.955 -1.021 . . . . 1.0 111.476 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . 0.429 ' C ' ' H ' ' A' 1842 ' ' MET . 82.8 mt -73.93 -39.74 51.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.46 -0.496 . . . . 1.0 110.335 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.31 42.36 0.12 Allowed 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 120.573 0.225 . . . . 1.0 110.471 179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.429 ' H ' ' C ' ' A' 1840 ' ' ILE . 7.5 mtt -122.38 -20.42 6.12 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 122.638 0.375 . . . . 1.0 110.47 179.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 35.3 t0 47.9 48.58 17.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.934 0.397 . . . . 1.0 110.033 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.896 HD21 ' HB2' ' A' 1860 ' ' ALA . 11.4 mt -82.04 117.97 70.3 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.674 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -41.67 138.19 2.51 Favored 'Trans proline' 0 N--CA 1.486 1.064 0 C-N-CA 121.5 1.467 . . . . 1.0 110.672 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 5.9 mtt -120.2 125.49 48.29 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.165 0.507 . . . . 1.0 111.601 -178.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.527 ' O ' ' C ' ' A' 1848 ' ' SER . 23.7 m -94.42 -174.84 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 107.32 -1.363 . . . . 1.0 107.32 177.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.579 ' O ' ' N ' ' A' 1850 ' ' ASP . 24.4 m -18.84 118.21 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 O-C-N 123.647 0.592 . . . . 1.0 111.294 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' 1848 ' ' SER . . . -25.82 -36.25 0.01 OUTLIER Glycine 0 N--CA 1.474 1.205 0 O-C-N 123.583 0.552 . . . . 1.0 112.78 -178.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.579 ' N ' ' O ' ' A' 1848 ' ' SER . 1.8 m-20 -43.98 -68.14 0.22 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.818 1.044 . . . . 1.0 113.818 -178.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.404 ' H ' ' HD2' ' A' 1851 ' ' ARG . 0.0 OUTLIER -144.09 -175.95 4.81 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.386 0.884 . . . . 1.0 113.386 -175.551 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . 0.601 ' N ' HD12 ' A' 1852 ' ' ILE . 3.5 mp -119.57 161.39 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-N 114.833 -1.076 . . . . 1.0 111.648 -177.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.505 ' N ' HG22 ' A' 1852 ' ' ILE . 2.2 t-80 -77.04 121.73 23.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.933 -1.03 . . . . 1.0 111.231 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' 1811 ' ' GLN . 5.1 p -60.03 -44.32 94.7 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.103 -0.498 . . . . 1.0 111.033 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.4 mt -51.34 -38.61 54.04 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.152 -0.619 . . . . 1.0 110.159 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 19.9 t0 -73.32 -43.03 61.6 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.582 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 93.4 mt -59.23 -44.98 93.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.602 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 59.0 tp -59.2 -50.47 73.91 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.086 0.47 . . . . 1.0 110.992 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 2.2 t80 -63.44 -29.39 70.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.47 -0.786 . . . . 1.0 110.469 -179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . 0.896 ' HB2' HD21 ' A' 1844 ' ' LEU . . . -70.91 -42.42 69.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.608 0.718 . . . . 1.0 111.315 -178.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -75.69 -30.81 59.47 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.593 -1.185 . . . . 1.0 110.306 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 52.2 m -71.96 -34.1 68.71 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 120.395 -0.522 . . . . 1.0 109.768 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.463 ' O ' ' N ' ' A' 1867 ' ' GLY . 60.9 tttt -77.78 -46.09 22.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.165 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 29.1 ttt85 -52.13 -41.91 62.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.264 0.554 . . . . 1.0 111.572 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.432 ' O ' HG12 ' A' 1865 ' ' VAL . 88.2 t -80.78 -14.24 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 115.378 -0.828 . . . . 1.0 110.823 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.1 tp -102.89 -12.12 17.76 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 120.967 0.413 . . . . 1.0 110.671 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -87.43 84.47 1.53 Allowed Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.118 -0.793 . . . . 1.0 111.118 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -171.99 -31.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.835 0.35 . . . . 1.0 110.788 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 6.6 t -177.86 4.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.755 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . 0.494 ' C ' ' H ' ' A' 1872 ' ' MET . . . -85.08 -108.94 0.66 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 45.1 tt0 66.92 -8.53 0.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.771 0.319 . . . . 1.0 110.733 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . 0.494 ' H ' ' C ' ' A' 1870 ' ' GLY . 64.6 mtp -92.76 -17.16 24.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.505 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 24.5 t70 -78.75 -14.83 59.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.701 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -94.86 2.1 55.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.665 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 8.4 tt -96.35 -33.31 11.98 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.666 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' 1879 ' ' MET . 0.5 OUTLIER -82.67 -70.89 0.52 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.643 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . 0.625 ' H ' HD12 ' A' 1877 ' ' ILE . 1.9 mp -44.09 -21.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.747 0.308 . . . . 1.0 110.566 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' 1876 ' ' ARG . 63.1 tp60 -83.32 -31.99 26.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 1.0 110.575 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . 0.517 ' N ' ' O ' ' A' 1876 ' ' ARG . 16.8 tpt -51.62 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.443 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -109.8 51.49 0.75 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.871 0.367 . . . . 1.0 110.305 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' 1882 ' ' ARG . 30.9 mt-10 47.83 -139.61 0.66 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.473 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . 0.42 ' O ' ' O ' ' A' 1881 ' ' GLU . 77.7 mtt-85 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.013 -0.994 . . . . 1.0 110.538 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.819 0.342 . . . . 1.0 110.564 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 8.1 p30 -71.84 112.28 7.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.586 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . 0.526 ' CD2' ' O ' ' A' 1779 ' ' PHE . 73.3 t80 -70.77 -5.85 33.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.614 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 34.5 t -66.69 113.22 4.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.487 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 9.1 p -53.67 137.4 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.634 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -80.9 171.55 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.709 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.6 121.65 24.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.217 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -100.88 5.3 43.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.242 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -163.21 142.24 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.629 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . 0.64 ' O ' ' HB3' ' A' 1787 ' ' ALA . 6.8 m -76.16 -154.26 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.689 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' 1786 ' ' SER . . . 83.81 146.97 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.657 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -48.6 150.95 2.21 Favored Pre-proline 0 CA--C 1.532 0.282 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.368 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.23 -25.82 21.67 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.226 1.95 . . . . 1.0 112.13 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 5.7 tp -93.06 108.88 20.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.569 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 38.5 m -105.68 163.89 12.34 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.085 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . 0.603 ' CD ' ' H ' ' A' 1792 ' ' GLU . 1.4 pm0 -44.3 -31.06 0.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.911 0.386 . . . . 1.0 110.459 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -48.47 -33.1 8.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.576 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -72.7 -44.61 61.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.557 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -50.23 -48.63 54.43 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.029 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -67.12 -53.33 31.73 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.255 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 2.3 ptt? -54.7 -35.98 64.21 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.772 0.32 . . . . 1.0 110.454 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.3 t80 -63.64 -41.77 98.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.482 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -70.23 -30.8 67.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.456 -0.572 . . . . 1.0 109.456 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.83 -41.11 95.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.253 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 34.6 t -76.42 -39.0 33.31 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -54.7 -42.75 71.82 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.139 -0.624 . . . . 1.0 110.739 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -53.91 -29.6 42.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.173 -0.467 . . . . 1.0 111.566 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 49.0 mttp -70.1 -35.55 74.23 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.793 0.664 . . . . 1.0 112.793 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -94.88 -8.14 38.11 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.254 -0.885 . . . . 1.0 111.354 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -160.4 88.1 1.82 Allowed Pre-proline 0 C--N 1.329 -0.314 0 C-N-CA 120.482 -0.487 . . . . 1.0 111.703 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.07 -1.25 10.32 Favored 'Trans proline' 0 C--N 1.314 -1.25 0 C-N-CA 122.372 2.048 . . . . 1.0 111.479 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' 1808 ' ' ASP . 54.1 t0 -87.99 -7.85 56.47 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.045 -0.525 . . . . 1.0 111.273 -179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.21 28.11 15.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.456 -0.338 . . . . 1.0 110.847 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 10.8 p -68.69 -31.97 71.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.05 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 75.13 22.06 1.83 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.616 -0.72 . . . . 1.0 110.884 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . 0.47 ' CD1' ' NE ' ' A' 1851 ' ' ARG . 50.6 m-85 -129.36 151.83 49.58 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.99 -0.744 . . . . 1.0 108.99 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 14.4 tt -142.67 146.64 21.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -80.22 141.42 35.63 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.557 -0.457 . . . . 1.0 111.032 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 87.7 t80 -56.08 -44.71 79.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.16 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.15 -23.82 37.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.813 0.339 . . . . 1.0 110.662 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -106.46 0.05 24.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.13 -0.486 . . . . 1.0 111.264 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.4 tp -68.9 -24.58 64.33 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.378 -0.529 . . . . 1.0 110.525 -179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . 0.536 ' O ' ' NZ ' ' A' 1833 ' ' LYS . 30.8 p -74.69 -35.71 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.385 -0.526 . . . . 1.0 110.103 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -68.82 -23.54 64.28 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.562 -0.533 . . . . 1.0 109.562 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.529 ' CZ ' HD21 ' A' 1825 ' ' LEU . 60.8 t80 -82.84 -47.35 11.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.188 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.05 -37.19 32.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.136 -0.938 . . . . 1.0 112.701 -178.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -95.06 3.09 55.22 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.096 0.475 . . . . 1.0 110.134 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.66 -25.28 26.66 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.689 -0.687 . . . . 1.0 110.362 179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.529 HD21 ' CZ ' ' A' 1821 ' ' PHE . 78.5 mt -72.44 166.47 22.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.69 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -111.62 151.38 43.31 Favored Pre-proline 0 N--CA 1.465 0.309 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 179.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.416 ' HA ' ' H ' ' A' 1829 ' ' LEU . 74.2 Cg_exo -46.4 146.75 4.66 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 121.202 1.268 . . . . 1.0 111.049 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.71 48.44 0.98 Allowed 'Cis proline' 0 N--CA 1.501 1.956 0 CA-C-N 119.936 1.013 . . . . 1.0 112.05 -0.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' 1827 ' ' PRO . 85.1 mt -132.75 -3.64 3.26 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.66 0.267 . . . . 1.0 110.917 -179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.423 HD12 ' N ' ' A' 1831 ' ' ILE . 17.1 tp -80.63 124.87 29.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.418 0.525 . . . . 1.0 112.418 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.423 ' N ' HD12 ' A' 1830 ' ' LEU . 55.6 mt -115.16 104.63 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.143 0 N-CA-C 107.355 -1.35 . . . . 1.0 107.355 177.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.561 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -61.36 151.33 32.52 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.217 0.451 . . . . 1.0 112.217 -177.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' 1819 ' ' SER . 39.5 mttp -91.69 155.94 43.28 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 107.916 -1.142 . . . . 1.0 107.916 177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -87.63 105.33 0.61 Allowed 'Cis proline' 0 N--CA 1.5 1.883 0 C-N-CA 124.889 -0.88 . . . . 1.0 113.273 1.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.561 ' ND2' ' O ' ' A' 1832 ' ' ALA . 94.1 m-20 -131.18 68.59 1.49 Allowed 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.249 0.931 . . . . 1.0 111.732 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 42.2 tttt -80.61 -32.32 36.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 122.116 0.96 . . . . 1.0 110.367 176.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 44.5 t -64.81 -45.58 94.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 113.718 -1.583 . . . . 1.0 109.912 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -51.05 -26.63 6.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.173 0.511 . . . . 1.0 109.67 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 23.2 mt -78.18 -34.72 49.43 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.535 -0.757 . . . . 1.0 110.732 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 87.1 mt -73.67 -43.1 54.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 1.0 111.849 -178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -58.05 -28.12 64.21 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.194 -0.316 . . . . 1.0 110.964 178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 27.6 mmm -66.95 -26.2 66.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.609 0.242 . . . . 1.0 111.273 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 38.8 t70 49.86 38.38 15.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.055 0.455 . . . . 1.0 110.106 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.8 mt -41.59 139.95 1.42 Allowed Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 115.73 -0.668 . . . . 1.0 110.948 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -75.79 120.94 6.01 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.199 1.933 . . . . 1.0 110.588 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 10.5 mtt -100.68 140.38 35.04 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-O 121.252 0.548 . . . . 1.0 111.22 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.501 ' O ' ' C ' ' A' 1848 ' ' SER . 0.2 OUTLIER -89.26 -175.24 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 108.529 -0.915 . . . . 1.0 108.529 179.038 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.773 ' O ' ' N ' ' A' 1850 ' ' ASP . 8.0 t 4.08 110.96 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 O-C-N 124.251 0.969 . . . . 1.0 113.193 -179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 26.1 -56.19 0.0 OUTLIER Glycine 0 CA--C 1.542 1.744 0 O-C-N 124.667 1.229 . . . . 1.0 116.154 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.773 ' N ' ' O ' ' A' 1848 ' ' SER . 2.3 m-20 -148.74 78.49 1.41 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 117.123 0.461 . . . . 1.0 111.362 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.47 ' NE ' ' CD1' ' A' 1812 ' ' PHE . 1.6 mmm-85 -167.33 132.6 2.02 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.588 -0.278 . . . . 1.0 110.556 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.85 136.7 50.69 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 N-CA-C 109.796 -0.446 . . . . 1.0 109.796 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.439 ' O ' ' OD2' ' A' 1856 ' ' ASP . 7.0 t-80 -105.12 121.47 43.89 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 120.987 0.422 . . . . 1.0 111.168 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . 0.469 ' HA ' HD12 ' A' 1857 ' ' ILE . 15.6 p -37.06 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.917 -0.583 . . . . 1.0 112.15 -176.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' 1855 ' ' LEU . 12.9 mt -53.78 -42.18 68.03 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.993 -0.683 . . . . 1.0 109.811 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' 1857 ' ' ILE . 2.6 p30 -74.14 -37.05 64.17 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.607 -0.437 . . . . 1.0 110.247 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' 1854 ' ' CYS . 19.5 mt -63.28 -42.8 97.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.048 -0.524 . . . . 1.0 109.751 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . 0.563 ' O ' HG23 ' A' 1862 ' ' THR . 32.6 tp -62.43 -49.24 76.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.16 -0.473 . . . . 1.0 111.215 -179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -67.06 -41.6 86.17 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.955 -0.298 . . . . 1.0 111.207 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -66.62 -38.41 86.87 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.605 -0.438 . . . . 1.0 111.688 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -75.22 -25.03 57.84 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.586 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . 0.563 HG23 ' O ' ' A' 1858 ' ' LEU . 16.0 p -75.08 -31.8 61.32 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 109.968 -0.382 . . . . 1.0 109.968 179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.511 ' CB ' ' NZ ' ' A' 1863 ' ' LYS . 4.6 ttpm? -78.88 -45.52 20.47 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.303 -179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 49.7 ttp85 -50.93 -40.98 58.49 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.456 0.646 . . . . 1.0 111.331 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' 1865 ' ' VAL . 40.6 t -80.08 -12.72 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.993 178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . 0.525 HD23 ' O ' ' A' 1866 ' ' LEU . 0.7 OUTLIER -102.41 -15.78 16.41 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 120.712 0.291 . . . . 1.0 111.331 -179.511 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -80.16 88.98 1.28 Allowed Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.538 -0.839 . . . . 1.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -174.48 -36.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 1.0 110.638 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 59.8 p -172.79 47.32 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -79.08 119.57 5.07 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.476 -0.65 . . . . 1.0 111.476 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -82.52 -10.21 59.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.052 0.453 . . . . 1.0 110.013 179.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . 0.439 ' C ' ' SD ' ' A' 1872 ' ' MET . 3.6 ppp? -65.03 -21.02 66.78 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.721 -0.672 . . . . 1.0 110.479 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 16.3 t70 -76.78 -16.95 59.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.514 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -72.54 -47.13 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.583 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . 0.49 HD12 ' N ' ' A' 1875 ' ' LEU . 10.4 mp -45.76 -27.96 0.94 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.449 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 72.6 mtp180 -81.85 -44.3 17.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.377 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 66.3 mt -72.26 -22.24 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.43 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -74.32 -37.7 63.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.406 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 32.3 ttm -80.77 46.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.265 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 27.7 tp10 -68.25 -35.73 78.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.584 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -77.97 129.98 35.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 62.2 mtp180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.941 -1.028 . . . . 1.0 110.534 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' 1777 ' ' GLU . 3.4 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.742 0.306 . . . . 1.0 110.534 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 34.1 m-80 52.23 -178.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.535 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 44.7 t80 -73.21 63.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.507 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 81.5 p -159.46 41.32 0.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.508 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.532 HG22 ' N ' ' A' 1782 ' ' ALA . 10.7 p -54.75 161.79 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.572 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.532 ' N ' HG22 ' A' 1781 ' ' VAL . . . 58.47 115.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.393 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 40.9 p -144.0 107.72 4.66 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.461 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -76.26 2.82 12.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.552 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -73.57 -69.81 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 23.0 t -162.04 102.64 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.515 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -167.25 75.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.542 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -145.5 153.28 51.35 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.152 -0.476 . . . . 1.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -71.05 -49.18 0.4 Allowed 'Trans proline' 0 N--CA 1.495 1.571 0 C-N-CA 122.247 1.965 . . . . 1.0 111.936 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 7.2 tt -106.8 115.31 29.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.275 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 19.2 m -100.08 173.97 6.39 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.431 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . 0.617 ' CD ' ' H ' ' A' 1792 ' ' GLU . 7.5 pm0 -56.81 -30.04 63.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.188 0.518 . . . . 1.0 110.376 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' 1794 ' ' ASP . 50.1 p-10 -48.66 -27.49 2.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.547 -0.751 . . . . 1.0 110.481 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' 1793 ' ' ASP . 19.8 m-20 -78.75 -43.78 24.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.524 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -50.92 -49.62 59.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.213 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.6 -51.08 60.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 1.0 110.307 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 44.9 ttp -52.87 -36.82 59.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.263 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 31.8 t80 -62.01 -42.16 98.85 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.454 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . 0.427 ' O ' ' OE2' ' A' 1803 ' ' GLU . 49.4 m-85 -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.711 -0.396 . . . . 1.0 110.112 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 34.6 tp10 -60.63 -43.6 97.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.449 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.3 t -74.93 -38.34 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.127 -0.629 . . . . 1.0 109.529 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . 0.515 ' CZ3' ' SG ' ' A' 1854 ' ' CYS . 14.6 t-105 -59.92 -38.71 83.14 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 119.843 -0.743 . . . . 1.0 111.641 -178.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' 1803 ' ' GLU . 0.1 OUTLIER -64.98 -29.79 70.74 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.1 -0.24 . . . . 1.0 111.383 -178.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 56.7 mttp -68.18 -28.61 67.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.797 0.808 . . . . 1.0 110.777 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.03 -73.99 0.13 Allowed 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 114.328 -1.305 . . . . 1.0 111.738 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . 0.573 ' C ' ' H ' ' A' 1808 ' ' ASP . 77.1 m-20 -118.63 86.66 29.95 Favored Pre-proline 0 CA--C 1.533 0.311 0 O-C-N 122.27 -0.269 . . . . 1.0 110.992 -179.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.49 3.58 0.03 OUTLIER 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 122.746 2.297 . . . . 1.0 113.029 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.573 ' H ' ' C ' ' A' 1806 ' ' ASP . 52.3 t0 -81.98 -15.12 54.81 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.526 0.195 . . . . 1.0 111.526 -179.039 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 69.57 26.34 5.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.212 0.53 . . . . 1.0 110.169 -179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.5 p -66.58 -33.08 74.88 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.436 -0.802 . . . . 1.0 110.601 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 75.55 16.27 2.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -127.04 156.76 41.14 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 108.437 -0.949 . . . . 1.0 108.437 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 13.4 tt -143.09 147.21 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 118.43 0.559 . . . . 1.0 109.865 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' 1814 ' ' GLU . 23.0 mp0 -80.57 140.51 35.76 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.754 -0.378 . . . . 1.0 111.363 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 85.9 t80 -53.78 -45.34 70.66 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.651 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.68 -23.8 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.535 -0.302 . . . . 1.0 111.51 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 65.2 mttm -107.19 1.6 24.15 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.917 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 67.8 tp -67.22 -27.97 67.69 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.096 -0.641 . . . . 1.0 110.984 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . 0.419 ' O ' ' OD2' ' A' 1823 ' ' ASP . 47.6 m -70.33 -35.27 73.51 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.206 -0.597 . . . . 1.0 110.471 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -69.17 -25.66 64.47 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.481 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.3 t80 -79.81 -48.83 12.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.124 -0.944 . . . . 1.0 110.422 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -50.19 -37.67 36.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.955 -1.021 . . . . 1.0 112.171 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' 1819 ' ' SER . 4.2 p30 -94.01 1.61 56.21 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.964 0.412 . . . . 1.0 110.519 179.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.47 -25.77 26.7 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.057 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.481 HD21 ' CZ ' ' A' 1821 ' ' PHE . 78.2 mt -73.24 166.44 23.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.7 OUTLIER -112.08 151.26 43.47 Favored Pre-proline 0 N--CA 1.466 0.353 0 CA-C-N 115.577 -0.738 . . . . 1.0 109.214 178.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.414 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.1 Cg_exo -46.09 147.63 3.49 Favored 'Trans proline' 0 N--CA 1.493 1.466 0 C-N-CA 121.28 1.32 . . . . 1.0 111.118 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -89.25 48.25 1.06 Allowed 'Cis proline' 0 N--CA 1.499 1.828 0 CA-C-N 119.874 0.991 . . . . 1.0 112.124 -0.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.414 ' H ' ' HA ' ' A' 1827 ' ' PRO . 72.3 mt -132.7 -3.06 3.3 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.575 -0.284 . . . . 1.0 110.654 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.456 HD12 ' N ' ' A' 1831 ' ' ILE . 16.0 tp -81.55 123.64 28.82 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.459 0.54 . . . . 1.0 112.459 -177.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' 1830 ' ' LEU . 28.5 mt -113.5 103.59 15.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 1.0 107.089 177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.575 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -57.78 151.78 17.02 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.883 -0.327 . . . . 1.0 110.976 -178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -94.46 159.82 32.98 Favored Pre-proline 0 C--N 1.329 -0.312 0 N-CA-C 107.67 -1.233 . . . . 1.0 107.67 178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -85.72 102.06 0.37 Allowed 'Cis proline' 0 N--CA 1.499 1.797 0 C-N-CA 124.64 -0.983 . . . . 1.0 113.291 1.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.575 ' ND2' ' O ' ' A' 1832 ' ' ALA . 5.9 m-80 -127.53 69.05 1.3 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.387 0.994 . . . . 1.0 111.504 178.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . 0.447 ' CB ' ' NZ ' ' A' 1836 ' ' LYS . 2.5 ttmp? -80.68 -31.16 36.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.318 1.056 . . . . 1.0 110.061 175.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 14.6 t -64.79 -47.04 90.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 113.267 -1.788 . . . . 1.0 110.298 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -50.34 -25.87 4.29 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.6 mt -78.14 -35.14 49.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.084 -0.962 . . . . 1.0 110.913 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 81.3 mt -74.11 -41.82 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.448 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -59.29 -27.84 66.21 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 122.346 -0.221 . . . . 1.0 111.021 178.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 21.4 mmm -65.02 -25.89 68.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.675 0.274 . . . . 1.0 111.3 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 7.4 m-20 62.04 28.16 17.04 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.736 -0.468 . . . . 1.0 109.736 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 2.9 mt -34.68 99.79 0.17 Allowed Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.469 -0.787 . . . . 1.0 111.548 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -45.51 125.29 7.45 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.939 1.759 . . . . 1.0 111.299 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 5.9 mtt -106.55 137.86 43.78 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.976 0.417 . . . . 1.0 110.576 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' 1851 ' ' ARG . 26.2 m -103.21 -171.64 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 1.0 110.149 179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.73 ' O ' ' N ' ' A' 1850 ' ' ASP . 12.4 t 7.58 111.92 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.352 1.033 . . . . 1.0 113.189 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 17.55 -63.57 0.0 OUTLIER Glycine 0 CA--C 1.537 1.438 0 O-C-N 124.523 1.14 . . . . 1.0 114.939 179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.73 ' N ' ' O ' ' A' 1848 ' ' SER . 12.3 m-20 -137.91 79.46 1.74 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 116.805 0.302 . . . . 1.0 111.77 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' 1847 ' ' VAL . 7.7 tpp180 -168.09 126.69 1.2 Allowed 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 120.181 -0.607 . . . . 1.0 112.18 179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 38.8 mt -99.65 132.26 45.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-O 121.92 0.867 . . . . 1.0 112.453 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.468 ' CE1' ' HG ' ' A' 1855 ' ' LEU . 5.7 t-160 -79.45 122.01 25.89 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 114.101 -1.409 . . . . 1.0 110.957 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . 0.515 ' SG ' ' CZ3' ' A' 1802 ' ' TRP . 33.2 t -63.42 -33.51 75.71 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.63 -0.259 . . . . 1.0 110.598 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . 0.468 ' HG ' ' CE1' ' A' 1853 ' ' HIS . 0.2 OUTLIER -51.39 -43.98 62.06 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.607 -0.886 . . . . 1.0 108.607 178.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -69.86 -45.89 66.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.767 -0.651 . . . . 1.0 110.81 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 80.0 mt -55.19 -46.15 77.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 N-CA-C 109.858 -0.423 . . . . 1.0 109.858 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . 0.416 ' O ' HG23 ' A' 1862 ' ' THR . 55.7 tp -62.29 -50.56 71.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 1.0 111.14 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.8 t80 -67.76 -36.21 80.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.386 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -68.53 -38.74 81.11 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.304 -0.558 . . . . 1.0 111.26 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -74.86 -48.07 26.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.703 -0.681 . . . . 1.0 110.138 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . 0.416 HG23 ' O ' ' A' 1858 ' ' LEU . 21.6 p -52.02 -32.59 34.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.18 0.514 . . . . 1.0 109.877 179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -79.23 -46.04 18.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.517 -0.765 . . . . 1.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . 0.461 HH11 ' CD ' ' A' 1868 ' ' GLU . 61.6 ttp85 -51.12 -41.34 59.99 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.394 0.516 . . . . 1.0 112.394 -179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . . . . . . . . . 92.7 t -38.16 -49.56 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.927 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 6.3 tt -90.56 -40.04 12.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.791 0.329 . . . . 1.0 110.367 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -41.48 -37.05 1.67 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.191 -0.764 . . . . 1.0 111.191 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . 0.461 ' CD ' HH11 ' A' 1864 ' ' ARG . 97.2 mt-10 -78.44 115.21 17.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.795 0.331 . . . . 1.0 110.547 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 49.1 m 50.27 28.86 3.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.68 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' 1872 ' ' MET . . . -54.53 -15.72 6.27 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.907 -0.877 . . . . 1.0 110.907 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . 0.464 ' C ' ' H ' ' A' 1873 ' ' ASP . 0.8 OUTLIER 73.97 -32.66 0.24 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.937 0.399 . . . . 1.0 110.551 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' 1870 ' ' GLY . 19.2 mmt -64.49 1.62 0.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.462 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . 0.464 ' H ' ' C ' ' A' 1871 ' ' GLU . 14.2 t0 -76.48 -18.68 58.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -78.22 -21.6 49.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.565 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . 0.598 ' N ' HD22 ' A' 1875 ' ' LEU . 3.3 mm? -78.54 -21.22 49.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.241 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 44.2 mtm180 -82.27 -51.27 8.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.653 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.7 -42.92 93.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 110.634 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -65.43 -21.33 66.64 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.498 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 4.7 tpt -133.08 72.42 1.49 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.214 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.618 ' H ' ' CD ' ' A' 1880 ' ' GLU . 1.6 pm0 -79.08 60.33 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.571 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -77.97 29.03 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.48 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . 0.448 ' H ' ' C ' ' A' 1880 ' ' GLU . 15.3 tpt180 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.08 -0.962 . . . . 1.0 110.492 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 33.5 tp10 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.758 0.313 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 73.6 m-80 52.46 -179.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.567 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 58.6 t80 52.5 100.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.565 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 26.6 t -165.0 89.87 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.593 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 26.0 m -56.89 143.11 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.506 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.432 ' C ' ' N ' ' A' 1784 ' ' GLU . . . -78.01 107.4 10.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.642 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' 1786 ' ' SER . 5.5 p -48.89 -16.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.408 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . 0.475 ' C ' ' H ' ' A' 1786 ' ' SER . 90.8 mt-10 -41.89 -66.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.035 -0.53 . . . . 1.0 111.008 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . 0.595 ' H ' ' CD ' ' A' 1785 ' ' GLU . 10.8 pm0 -63.86 2.92 0.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.603 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . 0.475 ' H ' ' C ' ' A' 1784 ' ' GLU . 8.6 t 52.86 82.58 0.07 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -50.02 149.92 2.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.454 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' 1790 ' ' LEU . 39.1 mt-10 -60.98 128.92 89.91 Favored Pre-proline 0 CA--C 1.538 0.484 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.279 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -38.72 -29.44 0.16 Allowed 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 121.996 1.797 . . . . 1.0 112.474 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . 0.474 HD23 ' C ' ' A' 1790 ' ' LEU . 1.9 tt -88.11 97.55 11.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.406 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 6.0 m -99.56 179.23 4.62 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.716 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -62.87 -29.53 70.82 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.531 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -48.37 -29.71 4.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.776 -0.647 . . . . 1.0 110.504 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -78.8 -42.09 28.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.417 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -51.55 -49.66 61.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 1.0 109.928 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . 0.432 ' O ' ' OE2' ' A' 1800 ' ' GLU . 39.9 mt-10 -69.04 -50.27 50.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 1.0 110.59 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 34.5 ttp -52.29 -34.77 48.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' 1798 ' ' PHE . 29.8 t80 -63.92 -38.44 91.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.265 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.82 -32.36 69.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.195 179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . 0.519 ' N ' ' OE1' ' A' 1800 ' ' GLU . 0.3 OUTLIER -61.0 -43.86 98.26 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.064 -0.347 . . . . 1.0 110.064 179.713 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.3 t -73.6 -38.77 52.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 C-N-CA 119.959 -0.696 . . . . 1.0 109.158 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -55.2 -42.33 73.15 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.791 -0.641 . . . . 1.0 111.01 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -55.41 -29.26 58.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.458 -0.337 . . . . 1.0 111.561 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 55.4 mttm -69.22 -35.45 76.2 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.597 0.592 . . . . 1.0 112.597 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -97.09 -6.15 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.109 -0.95 . . . . 1.0 111.015 -179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . 0.429 ' OD2' ' OG1' ' A' 1810 ' ' THR . 42.9 t0 -155.44 84.7 3.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 C-N-CA 121.011 -0.276 . . . . 1.0 111.096 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -81.46 -6.51 12.72 Favored 'Trans proline' 0 C--N 1.314 -1.262 0 C-N-CA 122.218 1.945 . . . . 1.0 111.652 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' A' 1808 ' ' ASP . 10.8 t70 -88.84 -5.56 57.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.976 -0.556 . . . . 1.0 111.319 -179.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.61 27.98 16.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.784 0.326 . . . . 1.0 110.728 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . 0.429 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 3.2 p -67.32 -31.5 71.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.797 -0.445 . . . . 1.0 109.797 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 74.15 20.66 2.67 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.459 -0.791 . . . . 1.0 111.228 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -129.95 153.61 48.19 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 108.909 -0.774 . . . . 1.0 108.909 178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -143.05 147.78 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-N 118.77 0.713 . . . . 1.0 110.072 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -81.82 142.09 32.88 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.674 -0.41 . . . . 1.0 110.673 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 74.6 t80 -56.92 -44.46 82.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.717 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.26 -24.32 27.38 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.812 -0.355 . . . . 1.0 111.007 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -105.83 -0.32 25.35 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.489 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 63.9 tp -67.08 -30.68 70.79 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.228 -0.589 . . . . 1.0 110.661 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 26.3 p -68.56 -35.63 77.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.262 -0.575 . . . . 1.0 110.373 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -69.89 -24.88 63.47 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.346 -0.613 . . . . 1.0 109.346 178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.533 ' CZ ' HD21 ' A' 1825 ' ' LEU . 54.0 t80 -81.86 -48.04 12.05 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 114.96 -1.018 . . . . 1.0 110.781 179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.25 -37.26 22.84 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.043 -0.981 . . . . 1.0 112.383 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 20.1 t70 -94.49 3.45 55.12 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.983 0.42 . . . . 1.0 110.13 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.8 -25.81 26.11 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.31 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.533 HD21 ' CZ ' ' A' 1821 ' ' PHE . 76.6 mt -72.14 167.0 21.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.539 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.91 150.41 42.79 Favored Pre-proline 0 CA--C 1.537 0.474 0 N-CA-C 108.475 -0.935 . . . . 1.0 108.475 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.421 ' HA ' ' H ' ' A' 1829 ' ' LEU . 75.7 Cg_exo -46.65 148.08 3.95 Favored 'Trans proline' 0 N--CA 1.49 1.311 0 C-N-CA 121.311 1.341 . . . . 1.0 111.041 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . 0.462 ' O ' HG11 ' A' 1865 ' ' VAL . 47.7 Cg_endo -88.87 48.04 1.04 Allowed 'Cis proline' 0 N--CA 1.501 1.969 0 CA-C-N 119.936 1.013 . . . . 1.0 112.238 -0.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.421 ' H ' ' HA ' ' A' 1827 ' ' PRO . 36.5 mt -132.7 -3.54 3.28 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.864 0.364 . . . . 1.0 110.642 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.482 HD12 ' N ' ' A' 1831 ' ' ILE . 13.9 tp -80.54 124.11 28.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.038 -0.528 . . . . 1.0 112.34 -177.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' 1830 ' ' LEU . 31.1 mt -113.94 104.12 16.46 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 N-CA-C 107.297 -1.372 . . . . 1.0 107.297 177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.579 ' O ' ' ND2' ' A' 1835 ' ' ASN . . . -58.27 150.89 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.876 -0.329 . . . . 1.0 111.035 -178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -94.34 159.95 32.87 Favored Pre-proline 0 C--N 1.33 -0.275 0 N-CA-C 107.103 -1.443 . . . . 1.0 107.103 177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -85.69 101.88 0.36 Allowed 'Cis proline' 0 N--CA 1.498 1.737 0 C-N-CA 124.728 -0.947 . . . . 1.0 113.44 1.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.579 ' ND2' ' O ' ' A' 1832 ' ' ALA . 10.8 m-80 -129.25 68.82 1.41 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.309 0.959 . . . . 1.0 111.484 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 43.3 tttt -80.35 -31.19 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 114.829 -1.078 . . . . 1.0 110.394 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 30.6 t -63.67 -47.55 90.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 113.464 -1.698 . . . . 1.0 110.16 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -50.47 -26.37 5.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.325 0.583 . . . . 1.0 109.526 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 12.0 mt -77.43 -36.1 53.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.172 -0.922 . . . . 1.0 110.796 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.7 mt -73.88 -41.29 53.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 111.313 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.47 -30.48 41.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.552 0.215 . . . . 1.0 110.638 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.484 ' O ' ' N ' ' A' 1844 ' ' LEU . 30.3 mtm -109.29 41.21 1.69 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.632 -0.258 . . . . 1.0 110.646 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' 1842 ' ' MET . 38.6 t70 -32.01 92.34 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.325 -0.398 . . . . 1.0 111.059 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.502 ' H ' HD12 ' A' 1844 ' ' LEU . 4.8 mp -71.37 128.8 89.7 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.827 -0.624 . . . . 1.0 110.906 -178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -39.78 128.46 1.91 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.693 1.595 . . . . 1.0 111.394 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . 0.496 ' SD ' ' O ' ' A' 1844 ' ' LEU . 4.4 mmt -100.01 132.62 45.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.978 0.418 . . . . 1.0 110.566 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.529 ' N ' ' O ' ' A' 1851 ' ' ARG . 0.0 OUTLIER -90.44 -177.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 108.337 -0.986 . . . . 1.0 108.337 179.215 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.774 ' O ' ' N ' ' A' 1850 ' ' ASP . 1.9 t 2.55 112.16 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 O-C-N 124.213 0.946 . . . . 1.0 112.723 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 14.43 -55.2 0.0 OUTLIER Glycine 0 CA--C 1.54 1.632 0 N-CA-C 115.978 1.151 . . . . 1.0 115.978 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.774 ' N ' ' O ' ' A' 1848 ' ' SER . 5.5 p-10 -130.86 66.78 1.52 Allowed 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 117.296 0.548 . . . . 1.0 111.936 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' 1847 ' ' VAL . 74.4 mtm-85 -165.36 138.06 4.36 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.714 0.635 . . . . 1.0 112.714 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 24.6 mt -105.82 142.57 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 115.363 -0.835 . . . . 1.0 112.206 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -83.22 123.21 29.36 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.09 -0.959 . . . . 1.0 111.888 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.4 p -63.77 -30.77 71.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.814 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 36.1 mt -61.17 -38.84 87.91 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.167 -0.613 . . . . 1.0 109.5 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' 1856 ' ' ASP . 2.2 m-20 -71.51 -44.73 64.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.181 179.381 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.8 mt -57.34 -45.14 85.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 N-CA-C 109.775 -0.454 . . . . 1.0 109.775 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 23.7 tp -62.61 -49.75 73.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.443 -0.344 . . . . 1.0 111.27 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 80.7 t80 -67.1 -45.14 78.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.744 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -62.63 -36.0 81.4 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.194 -178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . 0.677 ' O ' HG22 ' A' 1865 ' ' VAL . 6.3 m-85 -76.5 -25.44 54.24 Favored 'General case' 0 CA--C 1.528 0.133 0 N-CA-C 110.033 -0.358 . . . . 1.0 110.033 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 99.8 m -76.66 -32.5 57.99 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.383 -0.599 . . . . 1.0 109.383 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 29.1 tttm -76.62 -47.31 22.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.482 -0.781 . . . . 1.0 109.583 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -51.73 -41.72 61.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.822 -0.627 . . . . 1.0 111.549 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' 1861 ' ' PHE . 31.1 m -79.56 -14.41 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 115.103 -0.953 . . . . 1.0 110.969 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.77 -5.48 26.27 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.946 -0.391 . . . . 1.0 109.946 178.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -96.83 62.66 1.09 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.29 -0.724 . . . . 1.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -174.43 -33.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.921 0.391 . . . . 1.0 110.634 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 36.7 p -100.2 -32.4 10.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.833 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 44.36 64.34 2.07 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.736 -0.945 . . . . 1.0 110.736 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -78.64 -2.07 37.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.723 0.296 . . . . 1.0 110.988 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 29.9 ttp -79.09 -11.56 59.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.638 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -78.18 -15.02 59.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.727 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -79.42 -10.49 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.624 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . 0.579 ' N ' HD22 ' A' 1875 ' ' LEU . 3.3 mm? -83.37 -37.42 23.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.365 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -65.31 -2.94 3.47 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.591 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . 0.506 ' C ' ' H ' ' A' 1879 ' ' MET . 8.0 mm -77.75 -65.66 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.257 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -74.26 36.79 0.1 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.079 -0.51 . . . . 1.0 109.897 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . 0.53 ' O ' ' N ' ' A' 1881 ' ' GLU . 39.0 mtt 54.67 35.4 23.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.192 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 60.85 -70.97 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.53 ' N ' ' O ' ' A' 1879 ' ' MET . 28.5 tt0 -72.59 135.52 45.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.541 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 48.3 mtt85 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.054 -0.975 . . . . 1.0 110.528 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . 0.47 ' CD ' ' N ' ' A' 1777 ' ' GLU . 14.1 mp0 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.841 0.353 . . . . 1.0 110.502 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . 0.589 ' ND2' ' H ' ' A' 1779 ' ' PHE . 39.5 t30 -69.99 -111.16 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.606 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . 0.589 ' H ' ' ND2' ' A' 1778 ' ' ASN . 87.1 t80 55.96 -89.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.549 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.416 ' N ' ' CD2' ' A' 1779 ' ' PHE . 10.9 t -151.26 93.3 1.89 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.44 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 19.0 m -68.41 -161.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.667 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -62.84 134.37 56.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.707 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . 0.517 HG23 ' N ' ' A' 1784 ' ' GLU . 15.1 t -89.45 -41.01 12.32 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.637 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . 0.517 ' N ' HG23 ' A' 1783 ' ' THR . 36.5 mt-10 57.2 52.37 9.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.543 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 52.1 tt0 -79.15 56.9 2.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.534 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 58.8 m 46.78 83.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.536 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -166.63 75.61 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.555 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -72.22 151.43 92.32 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.034 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -67.38 -64.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.495 1.61 0 C-N-CA 122.117 1.878 . . . . 1.0 111.801 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.58 121.09 38.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.352 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 17.9 t -110.34 174.47 5.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.521 -0.763 . . . . 1.0 110.119 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -56.15 -40.09 73.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.4 -0.364 . . . . 1.0 110.569 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -48.39 -29.55 4.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.492 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.36 -42.61 29.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.577 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -51.31 -49.32 61.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.34 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -67.93 -49.99 58.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 1.0 110.188 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . 0.412 ' SD ' ' OD1' ' A' 1826 ' ' ASP . 25.9 ttp -52.6 -35.98 55.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.543 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 36.0 t80 -63.03 -40.67 98.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.454 -0.339 . . . . 1.0 110.511 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -69.5 -31.7 70.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.429 -0.35 . . . . 1.0 110.186 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -59.82 -44.4 94.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.181 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.4 t -74.6 -38.75 46.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 C-N-CA 120.009 -0.677 . . . . 1.0 109.309 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 26.0 t-105 -55.43 -42.59 74.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.979 -0.555 . . . . 1.0 111.156 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.23 -28.99 60.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.598 -0.274 . . . . 1.0 111.176 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -67.85 -35.72 79.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.499 0.666 . . . . 1.0 112.377 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -98.32 -4.77 34.31 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.86 -1.064 . . . . 1.0 111.2 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . 0.427 ' OD1' ' OG1' ' A' 1810 ' ' THR . 20.4 t70 -156.68 83.49 3.2 Favored Pre-proline 0 C--N 1.331 -0.235 0 C-N-CA 120.907 -0.317 . . . . 1.0 111.053 -179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -81.33 -5.89 12.76 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 122.336 2.024 . . . . 1.0 111.857 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.467 ' CG ' HG23 ' A' 1810 ' ' THR . 12.1 p30 -89.47 -4.28 58.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.277 -178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.02 27.79 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.923 -0.311 . . . . 1.0 110.679 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . 0.467 HG23 ' CG ' ' A' 1808 ' ' ASP . 9.2 p -68.83 -31.13 69.89 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.386 -0.37 . . . . 1.0 110.112 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 75.55 23.55 1.45 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.87 0.731 . . . . 1.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -131.25 151.75 51.19 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 109.778 -0.453 . . . . 1.0 109.778 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.3 tt -142.96 147.19 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 CA-C-N 118.678 0.672 . . . . 1.0 109.869 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -81.16 141.09 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.064 -179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 61.2 t80 -54.35 -46.17 72.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.331 -0.395 . . . . 1.0 111.127 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -55.46 -24.89 33.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.101 -179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 67.2 mttm -106.19 -0.04 24.9 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.272 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 46.2 tp -69.12 -24.42 64.11 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.37 -0.532 . . . . 1.0 110.342 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 13.3 p -75.6 -34.63 60.63 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.494 -0.482 . . . . 1.0 110.265 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.32 -22.89 64.67 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.289 -0.634 . . . . 1.0 109.289 178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.523 ' CZ ' HD21 ' A' 1825 ' ' LEU . 55.3 t80 -82.78 -47.28 12.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.623 -1.171 . . . . 1.0 111.079 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.93 -38.32 35.71 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.525 -0.761 . . . . 1.0 112.617 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.96 1.92 56.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.942 0.401 . . . . 1.0 110.161 178.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -84.23 -27.28 28.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.884 -0.598 . . . . 1.0 109.858 178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.523 HD21 ' CZ ' ' A' 1821 ' ' PHE . 84.3 mt -71.97 164.15 26.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.83 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' 1827 ' ' PRO . 0.0 OUTLIER -110.59 151.97 43.11 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 179.171 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.431 ' O ' ' OD1' ' A' 1826 ' ' ASP . 73.9 Cg_exo -45.68 146.93 3.31 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 121.445 1.43 . . . . 1.0 111.12 179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -88.75 48.29 1.0 Allowed 'Cis proline' 0 N--CA 1.502 2.015 0 CA-C-N 119.998 1.035 . . . . 1.0 112.06 -0.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.424 ' H ' ' HA ' ' A' 1827 ' ' PRO . 72.1 mt -132.47 -2.88 3.41 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.569 -0.287 . . . . 1.0 110.907 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 16.7 tp -81.99 121.53 26.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.091 0.472 . . . . 1.0 111.873 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.621 HG22 ' OD1' ' A' 1835 ' ' ASN . 49.5 mt -114.13 106.72 21.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 107.392 -1.336 . . . . 1.0 107.392 177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -55.34 151.69 9.56 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.655 -0.702 . . . . 1.0 111.38 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 48.8 mttt -99.72 157.36 34.08 Favored Pre-proline 0 N--CA 1.463 0.201 0 N-CA-C 108.522 -0.918 . . . . 1.0 108.522 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -79.13 124.45 10.62 Favored 'Cis proline' 0 N--CA 1.504 2.133 0 C-N-CA 124.506 -1.039 . . . . 1.0 112.7 0.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.797 ' H ' HD22 ' A' 1835 ' ' ASN . 0.0 OUTLIER -139.85 65.9 1.41 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 119.333 -0.947 . . . . 1.0 111.808 178.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 33.5 tttt -83.46 -32.33 26.09 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 122.311 1.053 . . . . 1.0 110.145 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 37.0 t -67.69 -54.1 25.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 113.861 -1.518 . . . . 1.0 110.803 -178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -55.2 -25.98 36.41 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.916 0.865 . . . . 1.0 108.859 178.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' 1835 ' ' ASN . 0.9 OUTLIER -75.62 -39.67 57.49 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 113.997 -1.456 . . . . 1.0 109.701 179.404 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 65.9 mt -74.31 -36.35 42.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 115.533 -0.758 . . . . 1.0 109.962 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -55.06 -30.51 59.77 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.596 -0.275 . . . . 1.0 110.651 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 40.8 mtp -74.1 -28.68 61.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.641 0.258 . . . . 1.0 111.124 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 14.2 t70 45.82 43.8 10.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.369 . . . . 1.0 110.201 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.482 ' H ' HD12 ' A' 1844 ' ' LEU . 3.3 mp -45.98 117.31 3.84 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.994 -0.548 . . . . 1.0 111.132 -179.411 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -40.33 128.38 2.31 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 121.924 1.749 . . . . 1.0 111.672 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 18.9 mtt -106.98 134.01 50.77 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.294 0.569 . . . . 1.0 111.468 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' 1848 ' ' SER . 0.1 OUTLIER -91.04 -175.05 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.218 -0.901 . . . . 1.0 109.378 179.28 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.793 ' O ' ' N ' ' A' 1850 ' ' ASP . 2.2 t 3.44 113.28 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.519 0 O-C-N 124.38 1.05 . . . . 1.0 113.033 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 15.57 -56.62 0.0 OUTLIER Glycine 0 CA--C 1.543 1.811 0 N-CA-C 115.545 0.978 . . . . 1.0 115.545 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.793 ' N ' ' O ' ' A' 1848 ' ' SER . 24.4 t0 -136.47 73.28 1.45 Allowed 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 117.196 0.498 . . . . 1.0 111.074 179.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 21.8 ttp180 -167.58 129.3 1.54 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 120.393 -0.523 . . . . 1.0 112.085 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 33.7 mt -103.65 141.3 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 CA-C-O 121.465 0.65 . . . . 1.0 112.708 -177.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -82.45 123.55 29.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.692 -1.14 . . . . 1.0 111.895 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' 1855 ' ' LEU . 16.3 p -63.9 -36.54 84.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.631 -0.259 . . . . 1.0 110.642 179.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . 0.435 ' N ' ' SG ' ' A' 1854 ' ' CYS . 36.0 mt -56.84 -39.31 74.0 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.859 179.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.92 -43.05 62.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.344 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.5 -45.31 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 110.039 -0.356 . . . . 1.0 110.039 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 48.8 tp -59.73 -50.34 74.22 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.059 0.456 . . . . 1.0 110.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -67.64 -32.39 73.06 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.11 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -71.0 -40.8 71.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.163 0.506 . . . . 1.0 111.48 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -74.84 -22.81 58.48 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.541 -0.754 . . . . 1.0 109.723 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 26.9 m -75.92 -34.8 59.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.127 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' 1867 ' ' GLY . 49.9 mmtt -76.61 -45.99 27.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.649 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -51.52 -41.52 61.07 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.432 0.634 . . . . 1.0 111.222 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.415 ' O ' HG12 ' A' 1865 ' ' VAL . 56.7 t -81.36 -14.87 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 114.954 -1.021 . . . . 1.0 111.14 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 5.5 tp -104.88 -18.01 14.36 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 111.849 0.315 . . . . 1.0 111.849 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -91.51 71.44 1.82 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -161.05 82.1 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 1.0 110.529 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 7.9 t 54.53 31.45 14.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.496 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -62.83 -120.06 0.01 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . 0.4 ' OE2' ' OE1' ' A' 1784 ' ' GLU . 57.3 tt0 -170.66 -9.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.992 0.425 . . . . 1.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 11.8 tpt -64.43 -26.33 68.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.564 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' 1873 ' ' ASP . 57.7 t0 -70.84 -27.62 63.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.535 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -59.31 -27.3 65.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.458 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 11.4 mt -76.47 -16.22 59.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -77.07 -41.25 43.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.581 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.61 -22.34 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.543 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -82.73 -39.32 22.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.517 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . 0.445 ' C ' ' H ' ' A' 1881 ' ' GLU . 9.5 ttt -53.94 -25.34 20.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.606 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -77.63 32.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.559 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' 1879 ' ' MET . 19.7 pt-20 -69.17 159.26 33.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.702 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 19.3 mmm180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 118.0 -1.0 . . . . 1.0 110.496 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 75.6 tt0 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.781 0.324 . . . . 1.0 110.842 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . 0.449 ' CG ' ' N ' ' A' 1779 ' ' PHE . 12.2 t-20 -68.35 -112.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.455 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . 0.523 ' CD2' ' O ' ' A' 1779 ' ' PHE . 63.5 t80 -160.46 -5.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.535 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.413 ' H ' ' H ' ' A' 1779 ' ' PHE . 27.1 t -173.08 99.07 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.514 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 29.3 m -54.56 149.76 2.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.513 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -50.62 112.06 0.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . 0.415 HG22 ' H ' ' A' 1783 ' ' THR . 0.1 OUTLIER -68.59 125.02 25.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 1.0 110.42 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.55 11.7 6.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.619 -0.719 . . . . 1.0 110.599 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -49.81 -78.03 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' 1787 ' ' ALA . 32.2 t -167.87 120.54 0.89 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.669 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . 0.427 ' O ' ' O ' ' A' 1786 ' ' SER . . . 59.53 142.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.782 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -85.92 125.11 69.64 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.335 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -78.8 161.01 27.55 Favored 'Trans proline' 0 N--CA 1.493 1.471 0 C-N-CA 121.878 1.719 . . . . 1.0 111.792 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . 0.524 HD23 ' C ' ' A' 1790 ' ' LEU . 3.3 tt -86.74 97.37 10.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.018 0.437 . . . . 1.0 110.306 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 74.1 m -101.54 179.19 4.42 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.774 -0.648 . . . . 1.0 110.754 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -61.8 -30.67 70.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.699 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -48.1 -28.64 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.041 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -73.31 -45.63 54.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.803 -0.635 . . . . 1.0 110.274 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -50.59 -48.26 57.76 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.482 -0.487 . . . . 1.0 110.19 -179.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -70.58 -53.96 13.95 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.646 0.61 . . . . 1.0 112.646 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . 0.441 ' C ' ' SD ' ' A' 1797 ' ' MET . 0.0 OUTLIER -52.94 -34.02 53.62 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.829 0.347 . . . . 1.0 110.661 -179.253 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 28.0 t80 -64.81 -39.61 93.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.861 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -69.42 -30.52 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.808 -0.441 . . . . 1.0 109.808 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -61.24 -43.27 99.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.405 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 16.2 t -75.06 -38.49 42.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 109.19 -0.67 . . . . 1.0 109.19 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -56.27 -42.72 77.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.296 -178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -57.6 -28.05 63.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.364 -0.38 . . . . 1.0 111.638 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -69.99 -32.91 71.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 1.0 112.111 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . 0.41 ' O ' ' OD1' ' A' 1806 ' ' ASP . 68.7 m-85 -98.02 -5.59 33.7 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 114.886 -1.052 . . . . 1.0 111.223 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' 1805 ' ' PHE . 64.0 m-20 -158.36 86.54 2.43 Favored Pre-proline 0 C--N 1.328 -0.346 0 C-N-CA 120.765 -0.374 . . . . 1.0 111.375 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -83.47 -3.75 10.79 Favored 'Trans proline' 0 C--N 1.313 -1.327 0 C-N-CA 122.283 1.989 . . . . 1.0 111.73 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.417 ' CG ' HG23 ' A' 1810 ' ' THR . 18.9 p30 -92.17 -5.96 51.6 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.1 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 58.79 32.03 21.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.855 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . 0.417 HG23 ' CG ' ' A' 1808 ' ' ASP . 7.7 p -69.99 -31.75 69.59 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.545 -0.539 . . . . 1.0 109.545 179.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 80.09 24.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.17 -0.923 . . . . 1.0 111.011 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -130.56 149.68 52.11 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 109.448 -0.575 . . . . 1.0 109.448 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 12.1 tt -140.98 147.12 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.575 -0.528 . . . . 1.0 109.575 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . 0.538 ' OE1' ' N ' ' A' 1815 ' ' PHE . 0.0 OUTLIER -79.71 135.63 36.58 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.025 0.38 . . . . 1.0 112.025 -177.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . 0.538 ' N ' ' OE1' ' A' 1814 ' ' GLU . 34.9 t80 -53.03 -44.93 67.74 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.476 -0.49 . . . . 1.0 111.098 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.66 -22.58 46.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.259 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 10.6 ttmm -109.23 2.16 20.71 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.279 -0.419 . . . . 1.0 111.263 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.4 tp -69.58 -27.65 65.3 Favored 'General case' 0 C--N 1.332 -0.196 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.035 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 11.8 m -70.46 -34.49 72.47 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.717 -0.393 . . . . 1.0 110.594 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -73.61 -26.37 60.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 1.0 109.57 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.58 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.5 t80 -80.55 -48.36 12.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -48.85 -35.87 15.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 114.587 -1.188 . . . . 1.0 111.325 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -94.63 3.77 54.67 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.01 0.433 . . . . 1.0 110.208 178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -90.46 -22.05 21.58 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 115.796 -0.638 . . . . 1.0 110.787 179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.58 HD21 ' CZ ' ' A' 1821 ' ' PHE . 89.8 mt -70.91 178.01 3.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.138 0.494 . . . . 1.0 110.849 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -122.32 146.13 46.25 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-N 115.522 -0.763 . . . . 1.0 109.488 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.446 ' HA ' ' H ' ' A' 1829 ' ' LEU . 60.5 Cg_exo -48.29 148.24 7.7 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 121.226 1.284 . . . . 1.0 111.035 179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -88.72 48.19 1.01 Allowed 'Cis proline' 0 N--CA 1.501 1.948 0 CA-C-N 119.871 0.99 . . . . 1.0 112.113 -0.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.446 ' H ' ' HA ' ' A' 1827 ' ' PRO . 15.8 mt -134.03 -4.81 2.76 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.552 -0.295 . . . . 1.0 110.861 -179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' 1831 ' ' ILE . 10.2 tp -79.29 126.49 30.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.157 0.503 . . . . 1.0 112.135 -178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.554 ' N ' HD12 ' A' 1830 ' ' LEU . 71.5 mt -117.87 100.35 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 N-CA-C 106.198 -1.779 . . . . 1.0 106.198 176.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.55 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -108.2 67.04 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.154 -0.93 . . . . 1.0 112.046 -178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.55 ' O ' ' O ' ' A' 1832 ' ' ALA . 2.0 mptm? 50.02 158.49 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.458 -0.792 . . . . 1.0 111.411 177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -97.73 28.74 15.75 Favored 'Cis proline' 0 N--CA 1.493 1.495 0 CA-C-N 118.735 0.584 . . . . 1.0 112.557 -0.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.837 ' ND2' ' H ' ' A' 1835 ' ' ASN . 0.0 OUTLIER -96.5 70.6 2.65 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -178.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -80.7 -37.5 30.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.826 0.822 . . . . 1.0 109.995 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 15.8 t -50.58 -44.88 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 114.184 -1.371 . . . . 1.0 110.157 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . 0.478 ' OE1' ' N ' ' A' 1838 ' ' GLN . 0.9 OUTLIER -48.18 -33.2 8.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 114.674 -1.148 . . . . 1.0 110.344 -179.024 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 26.2 mt -67.61 -41.49 83.91 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.637 -0.425 . . . . 1.0 110.157 179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 68.0 mt -74.03 -34.18 38.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 108.364 -0.976 . . . . 1.0 108.364 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -75.25 44.96 0.27 Allowed 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.613 -0.514 . . . . 1.0 109.613 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -141.76 -8.43 0.94 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 122.557 0.343 . . . . 1.0 110.989 -178.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 32.6 t70 40.99 90.46 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.827 0.346 . . . . 1.0 110.4 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.532 ' O ' ' SD ' ' A' 1846 ' ' MET . 28.1 mt -120.58 152.17 55.14 Favored Pre-proline 0 N--CA 1.468 0.447 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.683 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . 0.418 ' C ' ' O ' ' A' 1844 ' ' LEU . 18.4 Cg_exo -29.28 89.38 0.01 OUTLIER 'Trans proline' 0 N--CA 1.49 1.28 0 C-N-CA 123.029 2.486 . . . . 1.0 113.005 178.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . 0.532 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -95.1 127.72 41.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.408 0.623 . . . . 1.0 110.703 -179.136 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . . . . . . . . . 1.4 m -135.01 164.26 34.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 114.957 -1.019 . . . . 1.0 108.875 179.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' 1850 ' ' ASP . 37.6 m -51.77 109.61 0.38 Allowed 'General case' 0 CA--C 1.511 -0.52 0 C-N-CA 119.977 -0.689 . . . . 1.0 109.602 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' 1850 ' ' ASP . . . 45.39 -79.94 0.0 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.456 -1.058 . . . . 1.0 110.456 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.673 ' N ' ' O ' ' A' 1848 ' ' SER . 65.9 m-20 17.73 -130.23 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.541 0.941 . . . . 1.0 113.541 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.54 -179.27 5.8 Favored 'General case' 0 C--N 1.339 0.138 0 CA-C-N 115.874 -0.603 . . . . 1.0 111.651 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 35.9 mt -116.61 147.57 19.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 115.493 -0.776 . . . . 1.0 111.916 -177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -66.47 121.78 16.09 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.313 -0.858 . . . . 1.0 110.437 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 48.2 t -63.15 -41.37 99.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.665 -0.243 . . . . 1.0 111.246 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 13.5 mt -51.49 -39.12 56.92 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.645 -0.422 . . . . 1.0 110.494 -179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 6.2 t70 -74.52 -38.12 62.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.352 -0.386 . . . . 1.0 110.568 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.1 -44.04 90.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 N-CA-C 109.581 -0.526 . . . . 1.0 109.581 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.3 tp -63.46 -49.33 74.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.981 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 90.2 t80 -65.95 -47.04 75.98 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.435 -0.348 . . . . 1.0 111.463 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.43 81.74 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.713 -0.395 . . . . 1.0 111.012 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.83 -22.84 58.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.536 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 90.2 m -79.01 -34.46 43.98 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.716 -0.476 . . . . 1.0 109.716 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' 1867 ' ' GLY . 35.5 ttpt -76.85 -45.68 27.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.571 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -52.34 -41.75 63.29 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.239 0.542 . . . . 1.0 111.951 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' 1865 ' ' VAL . 45.8 t -79.84 -14.48 13.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.339 -0.846 . . . . 1.0 110.904 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 3.1 mt -103.27 -11.97 17.59 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 121.082 -0.247 . . . . 1.0 110.819 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' 1863 ' ' LYS . . . 85.84 -170.42 43.71 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.565 -1.014 . . . . 1.0 110.565 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -84.04 -46.75 11.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.901 0.381 . . . . 1.0 110.625 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 21.0 t -93.26 34.28 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.769 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -94.41 51.27 2.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.08 -0.808 . . . . 1.0 111.08 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -87.38 32.76 0.7 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 1.0 110.493 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 38.5 mtt -82.57 -4.34 57.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.806 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 27.1 t70 -80.2 -14.93 58.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.731 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -88.83 -4.04 58.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.723 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . 0.549 ' N ' HD22 ' A' 1875 ' ' LEU . 3.3 mm? -89.03 -33.46 17.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.612 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 4.8 ptm85 -80.36 -23.69 40.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.714 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' 1880 ' ' GLU . 96.6 mt -78.45 -15.68 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.566 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -48.25 -34.43 10.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.472 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 48.7 mmm -69.58 -26.75 64.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.548 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' 1877 ' ' ILE . 28.8 mt-10 50.37 21.46 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' 1882 ' ' ARG . 7.8 pt-20 33.88 41.17 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.048 -0.524 . . . . 1.0 111.57 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' 1881 ' ' GLU . 14.2 ptm180 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 118.002 -0.999 . . . . 1.0 110.502 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . 0.486 ' C ' ' H ' ' A' 1779 ' ' PHE . 32.3 mt-10 . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.831 0.348 . . . . 1.0 110.383 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -56.4 -4.83 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.714 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . 0.486 ' H ' ' C ' ' A' 1777 ' ' GLU . 91.0 m-85 -71.99 146.73 47.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.566 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' 1782 ' ' ALA . 59.5 p -72.62 73.22 1.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.431 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' 1781 ' ' VAL . 15.4 m -71.38 7.92 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.275 0.56 . . . . 1.0 110.594 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.474 ' H ' ' C ' ' A' 1780 ' ' SER . . . -173.34 -136.14 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.489 -179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.44 128.84 55.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.777 -0.647 . . . . 1.0 110.204 179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -82.3 -29.89 30.87 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.686 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . 0.585 ' H ' ' CD ' ' A' 1785 ' ' GLU . 19.1 mp0 -45.59 -45.22 13.59 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.661 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 7.5 t 60.86 165.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.786 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -170.13 86.85 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.287 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -59.43 149.17 70.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.509 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -38.11 -33.18 0.26 Allowed 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.255 1.97 . . . . 1.0 112.486 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . 0.527 HD23 ' C ' ' A' 1790 ' ' LEU . 3.2 tt -82.59 101.28 10.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.763 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . 0.514 ' N ' ' OD2' ' A' 1794 ' ' ASP . 69.3 m -107.53 179.07 4.35 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.876 -0.602 . . . . 1.0 110.167 179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -60.37 -36.32 77.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' 1793 ' ' ASP . 0.4 OUTLIER -48.56 -33.27 9.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 1.0 110.734 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' 1791 ' ' SER . 4.5 m-20 -73.46 -42.56 61.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.377 . . . . 1.0 110.48 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -51.18 -49.66 60.51 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.123 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -65.65 -49.07 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 1.0 110.529 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . 0.46 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.7 tmm? -55.45 -36.81 66.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.201 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' 1798 ' ' PHE . 32.5 t80 -61.76 -41.5 97.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.612 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -71.98 -32.28 67.09 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.813 -0.355 . . . . 1.0 110.275 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 31.3 tp10 -60.66 -41.41 94.94 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.05 -0.352 . . . . 1.0 110.05 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 47.6 t -76.52 -38.46 31.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 109.365 -0.606 . . . . 1.0 109.365 179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 24.6 t-105 -56.26 -42.06 76.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.715 -0.675 . . . . 1.0 110.837 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -56.37 -28.3 58.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.347 -0.388 . . . . 1.0 111.338 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -68.74 -35.41 77.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.415 0.626 . . . . 1.0 111.979 -179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -97.47 -5.56 35.75 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 114.959 -1.019 . . . . 1.0 111.522 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 41.2 t0 -157.66 84.73 2.77 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 120.703 -0.399 . . . . 1.0 111.252 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -81.95 -4.78 12.09 Favored 'Trans proline' 0 C--N 1.312 -1.357 0 C-N-CA 122.176 1.917 . . . . 1.0 111.658 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 45.2 t0 -89.6 -6.18 56.48 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.84 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 61.45 30.62 18.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.92 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 8.2 p -68.87 -31.45 70.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 75.96 23.63 1.29 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.457 -0.792 . . . . 1.0 110.54 -179.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' 1852 ' ' ILE . 1.3 m-85 -131.56 151.07 51.89 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 109.264 -0.643 . . . . 1.0 109.264 179.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.2 tt -140.77 149.61 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-N 118.124 0.42 . . . . 1.0 110.626 179.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -79.24 135.44 36.77 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.087 0.403 . . . . 1.0 112.087 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -52.53 -45.87 66.5 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 120.34 -0.544 . . . . 1.0 110.694 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -58.65 -22.7 57.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 1.0 111.037 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . 0.426 ' CB ' ' NZ ' ' A' 1817 ' ' LYS . 6.3 ttpm? -107.69 0.05 22.15 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.026 -179.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 51.1 tp -68.18 -26.66 65.85 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.615 -0.434 . . . . 1.0 110.866 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 4.4 m -71.68 -35.29 70.25 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.561 -0.455 . . . . 1.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . 0.428 ' O ' ' OD1' ' A' 1820 ' ' ASP . 66.6 t0 -69.21 -25.09 64.14 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.562 -0.532 . . . . 1.0 109.562 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.506 ' CZ ' HD21 ' A' 1825 ' ' LEU . 62.5 t80 -81.94 -48.09 11.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.974 -1.012 . . . . 1.0 110.815 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.43 -37.21 24.85 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.25 -0.886 . . . . 1.0 112.183 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -94.06 2.44 56.03 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.97 0.414 . . . . 1.0 110.186 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.55 -24.87 25.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.162 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.506 HD21 ' CZ ' ' A' 1821 ' ' PHE . 91.3 mt -73.4 168.35 19.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.089 0.471 . . . . 1.0 110.613 -179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.48 149.22 41.84 Favored Pre-proline 0 CA--C 1.531 0.243 0 N-CA-C 108.957 -0.757 . . . . 1.0 108.957 178.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.406 ' HA ' ' H ' ' A' 1829 ' ' LEU . 72.6 Cg_exo -45.74 148.62 2.41 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 121.071 1.181 . . . . 1.0 110.949 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -88.39 46.72 1.12 Allowed 'Cis proline' 0 N--CA 1.501 1.929 0 CA-C-N 119.883 0.994 . . . . 1.0 112.292 -0.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.406 ' H ' ' HA ' ' A' 1827 ' ' PRO . 21.8 mt -131.19 -3.43 3.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.679 0.276 . . . . 1.0 110.822 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 14.8 tp -79.85 123.35 27.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.923 0.392 . . . . 1.0 111.767 -178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.645 HG22 ' OD1' ' A' 1835 ' ' ASN . 16.2 mt -115.63 107.34 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.191 0 N-CA-C 107.815 -1.18 . . . . 1.0 107.815 177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . . . . . . . . . . . -56.94 149.26 19.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.123 0.487 . . . . 1.0 111.182 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -101.26 158.73 31.23 Favored Pre-proline 0 C--N 1.331 -0.239 0 N-CA-C 108.583 -0.895 . . . . 1.0 108.583 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -75.27 121.12 7.19 Favored 'Cis proline' 0 N--CA 1.505 2.148 0 C-N-CA 125.089 -0.796 . . . . 1.0 112.703 -0.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.645 ' OD1' HG22 ' A' 1831 ' ' ILE . 0.1 OUTLIER -140.24 66.78 1.38 Allowed 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 119.182 -1.007 . . . . 1.0 112.034 178.152 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 46.0 mttp -83.0 -29.73 28.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.211 1.005 . . . . 1.0 110.099 175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 43.0 t -67.58 -32.99 59.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 113.353 -1.748 . . . . 1.0 110.232 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 -68.86 -31.57 70.62 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.544 -0.539 . . . . 1.0 109.544 178.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 70.5 mt -79.47 -35.06 40.86 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.105 -0.952 . . . . 1.0 111.52 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . 0.401 ' C ' ' H ' ' A' 1842 ' ' MET . 79.2 mt -73.99 -38.66 49.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.556 -0.458 . . . . 1.0 109.805 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -74.58 42.07 0.16 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 120.728 0.299 . . . . 1.0 110.71 178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.401 ' H ' ' C ' ' A' 1840 ' ' ILE . 41.4 mmm -120.39 -20.6 7.17 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 121.0 0.429 . . . . 1.0 110.111 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 9.3 m-20 63.43 15.27 8.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 1.0 110.716 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.629 HD21 ' HB2' ' A' 1860 ' ' ALA . 19.1 mt -56.7 112.86 5.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.025 -0.534 . . . . 1.0 109.609 179.16 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . 0.497 ' O ' ' SD ' ' A' 1846 ' ' MET . 82.7 Cg_exo -42.53 152.37 0.18 Allowed 'Trans proline' 0 C--N 1.317 -1.111 0 C-N-CA 121.199 1.266 . . . . 1.0 111.213 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . 0.521 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -128.93 175.31 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.658 0.742 . . . . 1.0 111.149 -178.634 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' 1851 ' ' ARG . 0.4 OUTLIER -137.69 161.57 33.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 107.394 -1.336 . . . . 1.0 107.394 176.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.722 ' O ' ' N ' ' A' 1850 ' ' ASP . 6.4 t -45.9 108.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 119.698 -0.801 . . . . 1.0 109.876 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' 1850 ' ' ASP . . . 43.18 -76.38 0.0 OUTLIER Glycine 0 C--N 1.341 0.845 0 N-CA-C 110.689 -0.964 . . . . 1.0 110.689 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.722 ' N ' ' O ' ' A' 1848 ' ' SER . 69.8 m-20 14.37 -123.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.176 -1.012 . . . . 1.0 113.286 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.479 ' O ' ' CG2' ' A' 1847 ' ' VAL . 0.0 OUTLIER -144.83 -175.62 4.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.984 -178.262 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' 1853 ' ' HIS . 18.5 mt -114.15 168.11 6.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-O 121.648 0.737 . . . . 1.0 112.223 -177.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.627 ' N ' HG22 ' A' 1852 ' ' ILE . 0.8 OUTLIER -87.76 122.39 31.36 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.516 -1.22 . . . . 1.0 111.027 179.168 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 5.4 t -58.83 -45.93 88.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.596 179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 56.0 mt -51.73 -39.15 57.93 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.275 -0.57 . . . . 1.0 109.968 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -70.57 -45.0 66.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.15 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.97 -43.86 93.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.362 -0.381 . . . . 1.0 110.226 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . 0.447 ' O ' HG23 ' A' 1862 ' ' THR . 24.9 tp -63.55 -50.11 70.82 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.8 0.333 . . . . 1.0 111.152 -178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -63.16 -50.72 69.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.732 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . 0.629 ' HB2' HD21 ' A' 1844 ' ' LEU . . . -55.23 -36.23 65.78 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.92 -0.582 . . . . 1.0 111.395 -178.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -75.85 -34.13 60.04 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.511 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . 0.447 HG23 ' O ' ' A' 1858 ' ' LEU . 28.8 p -68.84 -33.21 73.43 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.545 -0.462 . . . . 1.0 109.935 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' 1867 ' ' GLY . 59.1 mttm -79.48 -45.18 19.84 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 115.99 -0.55 . . . . 1.0 111.043 179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 57.0 ttt-85 -50.92 -41.31 58.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.288 0.566 . . . . 1.0 111.247 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' 1865 ' ' VAL . 61.8 t -79.04 -13.7 13.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.061 -0.972 . . . . 1.0 110.726 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . 0.515 HD23 ' O ' ' A' 1866 ' ' LEU . 0.7 OUTLIER -102.14 -15.15 16.79 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-O 120.73 0.3 . . . . 1.0 111.202 -179.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -78.63 -174.66 44.69 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.589 -0.815 . . . . 1.0 111.199 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 55.59 -99.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.858 0.361 . . . . 1.0 110.879 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 40.3 p -77.95 48.28 0.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 1.0 111.015 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . -67.05 179.42 13.9 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.643 -0.983 . . . . 1.0 110.643 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -165.58 -34.14 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.929 0.395 . . . . 1.0 110.795 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 15.1 ttt -64.43 -33.92 76.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.911 -0.586 . . . . 1.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 34.8 t70 -68.22 -15.09 63.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.559 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -76.72 -30.93 56.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.568 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.73 -17.11 56.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.587 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 82.9 mtt-85 -78.9 -22.51 45.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.523 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 88.7 mt -71.37 -19.39 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.509 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -77.82 -15.25 59.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.395 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 34.3 tpp -72.69 -44.75 61.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.552 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -53.02 -32.07 44.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.551 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -160.94 142.04 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 81.4 mtt-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.978 -1.01 . . . . 1.0 110.605 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 56.5 tt0 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.33 . . . . 1.0 110.553 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . 0.523 ' O ' ' ND2' ' A' 1778 ' ' ASN . 1.4 t-20 -76.94 6.59 5.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.662 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' 1779 ' ' PHE . 46.1 t80 -77.07 27.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.553 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' 1778 ' ' ASN . 56.0 p -75.03 66.11 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.531 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 33.4 m -76.35 -165.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.568 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 56.18 43.77 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.529 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . 0.557 HG23 ' N ' ' A' 1784 ' ' GLU . 9.5 t -78.26 -45.07 23.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.577 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . 0.557 ' N ' HG23 ' A' 1783 ' ' THR . 68.6 tt0 60.21 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.547 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . 0.522 ' N ' ' O ' ' A' 1783 ' ' THR . 42.4 mm-40 -73.61 91.53 1.86 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.471 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 79.8 p -79.89 47.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.579 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -73.14 161.51 30.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.316 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . 0.608 ' CD ' ' H ' ' A' 1788 ' ' GLU . 4.2 pm0 -47.48 148.37 2.45 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.166 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -37.79 -73.75 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.336 0 C-N-CA 122.409 2.073 . . . . 1.0 112.772 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' 1790 ' ' LEU . 0.3 OUTLIER -66.46 169.02 8.08 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.57 . . . . 1.0 109.554 -179.18 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 71.3 p -93.91 179.59 5.29 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.3 0.571 . . . . 1.0 112.137 -177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.95 -23.23 65.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.238 -0.892 . . . . 1.0 110.561 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 17.9 t70 -48.95 -31.1 6.81 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 115.845 -0.616 . . . . 1.0 110.274 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.75 -42.81 27.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.801 -0.636 . . . . 1.0 110.148 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -51.75 -50.08 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.185 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -68.83 -50.24 51.71 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.852 0.358 . . . . 1.0 110.394 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 33.3 ttp -52.35 -35.39 51.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.036 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 32.9 t80 -62.92 -39.2 93.83 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.87 -0.418 . . . . 1.0 109.87 179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -70.68 -32.78 70.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 1.0 109.84 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.67 -44.78 96.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.39 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.8 t -74.06 -38.33 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 C-N-CA 119.714 -0.794 . . . . 1.0 109.193 179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 32.5 t-105 -55.13 -43.03 73.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.143 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -54.09 -28.71 40.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.308 -0.405 . . . . 1.0 111.251 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 15.7 ttmm -69.29 -36.02 76.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.338 0.589 . . . . 1.0 112.448 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -95.57 -8.17 35.78 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.249 -179.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . 0.436 ' OD2' ' OG1' ' A' 1810 ' ' THR . 19.9 t70 -155.01 87.29 3.32 Favored Pre-proline 0 CA--C 1.532 0.276 0 C-N-CA 120.815 -0.354 . . . . 1.0 111.437 -179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -82.72 -6.09 11.56 Favored 'Trans proline' 0 C--N 1.311 -1.414 0 C-N-CA 122.188 1.925 . . . . 1.0 111.435 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' 1809 ' ' ALA . 50.1 m-20 -88.48 -7.22 56.9 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.914 -0.585 . . . . 1.0 111.152 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . 0.406 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 64.24 29.88 13.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 1.0 110.705 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . 0.436 ' OG1' ' OD2' ' A' 1806 ' ' ASP . 16.1 p -66.43 -31.44 72.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.174 -0.467 . . . . 1.0 109.893 179.595 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 75.36 17.05 2.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.429 -0.805 . . . . 1.0 110.732 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -129.42 156.31 44.29 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 16.7 tt -143.42 148.02 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-N 118.384 0.538 . . . . 1.0 110.045 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -81.76 142.45 32.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.488 -0.324 . . . . 1.0 110.841 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.55 -46.08 80.88 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.429 -0.351 . . . . 1.0 111.282 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.32 -23.49 49.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.985 0.421 . . . . 1.0 110.615 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 27.2 ttmt -104.63 -5.1 21.73 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.843 -0.617 . . . . 1.0 110.817 -179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 44.7 tp -68.77 -24.13 64.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.471 -0.331 . . . . 1.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.72 -35.46 60.25 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 120.623 -0.431 . . . . 1.0 110.401 -179.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . 0.439 ' O ' ' OD1' ' A' 1820 ' ' ASP . 13.1 t0 -70.71 -20.74 62.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.964 -0.754 . . . . 1.0 108.964 178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.542 ' CZ ' HD21 ' A' 1825 ' ' LEU . 59.9 t80 -83.71 -47.14 11.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.451 -1.25 . . . . 1.0 111.494 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.75 -37.76 30.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.069 -0.969 . . . . 1.0 112.765 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -94.31 2.84 55.81 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.022 0.439 . . . . 1.0 110.031 178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -85.41 -26.15 26.57 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.497 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.542 HD21 ' CZ ' ' A' 1821 ' ' PHE . 88.7 mt -70.74 170.38 12.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.972 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 148.37 40.53 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 108.995 -0.742 . . . . 1.0 108.995 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.458 ' HA ' ' H ' ' A' 1829 ' ' LEU . 73.1 Cg_exo -46.48 147.34 4.28 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 121.526 1.484 . . . . 1.0 111.703 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -88.76 50.8 0.83 Allowed 'Cis proline' 0 N--CA 1.5 1.896 0 CA-C-N 119.861 0.986 . . . . 1.0 112.403 -0.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.458 ' H ' ' HA ' ' A' 1827 ' ' PRO . 68.5 mt -134.43 -6.25 2.58 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.873 0.368 . . . . 1.0 110.527 -179.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' 1825 ' ' LEU . 17.0 tp -79.37 128.0 32.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.49 HD11 ' NH1' ' A' 1864 ' ' ARG . 65.4 mt -114.16 100.92 11.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 105.401 -2.074 . . . . 1.0 105.401 176.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.564 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -65.22 15.05 0.02 OUTLIER 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 113.111 0.782 . . . . 1.0 113.111 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.564 ' O ' ' O ' ' A' 1832 ' ' ALA . 20.4 mttm 52.08 162.81 0.04 OUTLIER Pre-proline 0 CA--C 1.548 0.876 0 C-N-CA 118.875 -1.13 . . . . 1.0 108.903 -179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -90.12 36.46 5.49 Favored 'Cis proline' 0 C--N 1.31 -1.457 0 C-N-CA 125.089 -0.796 . . . . 1.0 113.039 0.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.585 ' ND2' ' H ' ' A' 1835 ' ' ASN . 0.5 OUTLIER -73.4 69.01 1.14 Allowed 'General case' 0 C--O 1.232 0.133 0 C-N-CA 118.714 -1.194 . . . . 1.0 110.362 -179.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -79.42 -30.89 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.894 -1.048 . . . . 1.0 110.599 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 39.0 t -57.19 -48.21 82.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 113.393 -1.731 . . . . 1.0 109.655 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -50.41 -28.85 8.88 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.159 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 19.5 mt -74.49 -38.12 62.96 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.212 -0.595 . . . . 1.0 109.79 178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 91.1 mt -73.81 -38.77 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.729 -0.669 . . . . 1.0 110.237 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -49.55 -33.28 14.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.767 0.318 . . . . 1.0 110.361 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 22.7 mtm -76.62 -32.0 57.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.582 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 38.9 t70 54.23 45.98 26.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.135 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' 1844 ' ' LEU . 3.8 mp -40.55 145.92 0.48 Allowed Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.984 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.27 130.06 13.69 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.303 2.002 . . . . 1.0 110.343 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . 0.5 ' SD ' ' O ' ' A' 1844 ' ' LEU . 0.0 OUTLIER -98.1 133.53 42.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.076 0.465 . . . . 1.0 110.588 -179.329 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.523 ' O ' ' C ' ' A' 1848 ' ' SER . 31.0 m -99.79 -173.51 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 108.162 -1.051 . . . . 1.0 108.162 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.722 ' O ' ' N ' ' A' 1850 ' ' ASP . 1.8 m 6.18 111.24 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.848 0 O-C-N 124.065 0.853 . . . . 1.0 112.503 -178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 9.3 -56.64 0.0 OUTLIER Glycine 0 CA--C 1.535 1.298 0 O-C-N 124.855 1.347 . . . . 1.0 115.521 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.722 ' N ' ' O ' ' A' 1848 ' ' SER . 1.5 m-20 -130.46 64.62 1.54 Allowed 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 112.38 0.511 . . . . 1.0 112.38 -179.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.432 ' CG ' ' O ' ' A' 1850 ' ' ASP . 15.5 mtm180 -162.68 137.2 6.54 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 121.425 0.631 . . . . 1.0 112.525 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . . . . . . . . . 20.7 mt -104.52 135.97 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 114.747 -1.115 . . . . 1.0 111.881 -179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -79.34 122.95 27.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.136 -0.938 . . . . 1.0 110.487 178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -34.18 77.12 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 1.0 111.414 -179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 71.0 mt -51.31 -35.38 37.55 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.574 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 2.6 t70 -76.16 -41.32 50.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 1.0 109.787 178.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 50.3 mt -55.99 -45.38 80.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.102 0 N-CA-C 108.774 -0.825 . . . . 1.0 108.774 179.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' 1862 ' ' THR . 23.8 tp -62.93 -48.59 78.28 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-O 120.9 0.381 . . . . 1.0 110.711 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . 0.414 ' O ' ' OG1' ' A' 1862 ' ' THR . 18.9 t80 -68.84 -37.23 79.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.516 . . . . 1.0 111.474 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.42 -38.85 74.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.546 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . 0.605 ' CD2' ' NH2' ' A' 1864 ' ' ARG . 3.5 m-85 -75.04 -21.62 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.869 -0.605 . . . . 1.0 110.263 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . 0.552 HG23 ' O ' ' A' 1858 ' ' LEU . 10.1 p -77.15 -32.33 56.19 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.03 0.443 . . . . 1.0 110.282 179.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 74.8 mttt -78.43 -45.44 22.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.733 -0.667 . . . . 1.0 111.039 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . 0.605 ' NH2' ' CD2' ' A' 1861 ' ' PHE . 9.6 ttm180 -51.66 -40.95 60.95 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.405 HG23 ' H ' ' A' 1865 ' ' VAL . 4.4 t -38.32 -50.01 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.792 -179.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . 0.707 ' C ' HD13 ' A' 1866 ' ' LEU . 2.5 tm? -92.38 -41.95 10.05 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.777 -0.453 . . . . 1.0 109.777 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . -68.25 -178.01 14.15 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.005 -0.838 . . . . 1.0 111.005 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 46.13 59.06 3.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 1.0 110.271 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 6.6 t 179.46 -56.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.57 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' 1872 ' ' MET . . . 138.02 -123.16 2.61 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.759 -0.937 . . . . 1.0 110.759 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 54.28 9.48 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.722 0.296 . . . . 1.0 110.661 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . 0.428 ' H ' ' C ' ' A' 1870 ' ' GLY . 15.8 ptt? -90.95 -24.59 20.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.678 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 43.1 t0 -77.82 -21.58 51.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.711 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -58.07 -25.2 60.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' 1875 ' ' LEU . 6.4 mp -78.25 -31.05 48.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.525 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 -70.36 -29.47 66.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.612 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 72.5 mt -78.73 -27.32 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.699 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.88 -47.75 76.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.486 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 12.5 tpt -86.73 54.59 3.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.436 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' 1881 ' ' GLU . 18.7 tp10 -160.67 67.13 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 1.0 110.603 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' 1880 ' ' GLU . 28.9 tt0 59.48 146.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.584 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 85.0 mtt-85 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.015 -0.993 . . . . 1.0 110.508 -179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.867 0.365 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -52.17 113.7 1.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.548 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 62.0 t80 -171.51 94.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.644 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 49.1 m 46.26 87.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.64 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.444 ' H ' HG22 ' A' 1781 ' ' VAL . 4.0 m -80.91 15.55 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.128 0.49 . . . . 1.0 110.488 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . 42.24 90.8 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.465 -0.789 . . . . 1.0 110.866 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -79.52 126.19 30.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.09 0.471 . . . . 1.0 110.454 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -105.29 18.35 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.647 -0.706 . . . . 1.0 110.474 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.34 -69.66 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.474 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 22.4 t -171.55 46.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.568 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . 55.52 106.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.562 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . 0.426 ' HG2' ' H ' ' A' 1788 ' ' GLU . 2.7 pt-20 -71.3 153.36 94.15 Favored Pre-proline 0 CA--C 1.533 0.308 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.068 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 59.2 Cg_exo -34.64 -67.12 0.09 OUTLIER 'Trans proline' 0 C--N 1.314 -1.263 0 C-N-CA 122.603 2.202 . . . . 1.0 112.648 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 5.4 mt -144.53 172.24 13.25 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.156 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 8.4 t -120.94 153.74 36.86 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.857 -0.61 . . . . 1.0 110.186 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -53.61 -50.95 64.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.098 0.475 . . . . 1.0 110.67 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.58 -29.67 4.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.617 -0.72 . . . . 1.0 110.506 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -77.31 -43.68 32.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.677 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -51.3 -49.71 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.3 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -64.94 -43.13 93.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.916 0.389 . . . . 1.0 110.717 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . 0.458 ' C ' ' SD ' ' A' 1797 ' ' MET . 14.3 tmm? -60.59 -37.0 79.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.355 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 33.3 t80 -61.2 -41.29 96.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.655 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -73.28 -33.61 65.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.472 -0.331 . . . . 1.0 110.412 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -61.06 -40.02 92.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.889 0.376 . . . . 1.0 110.045 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 60.2 t -76.52 -38.16 31.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 N-CA-C 109.13 -0.693 . . . . 1.0 109.13 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -56.46 -41.61 76.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.57 -0.741 . . . . 1.0 110.981 -178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -57.35 -29.52 64.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.385 -0.371 . . . . 1.0 111.867 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -68.41 -33.57 74.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.483 0.659 . . . . 1.0 112.104 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -96.5 -5.83 38.54 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 114.854 -1.066 . . . . 1.0 110.945 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -155.01 84.0 3.76 Favored Pre-proline 0 CA--C 1.531 0.243 0 CA-C-N 116.532 -0.304 . . . . 1.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -81.23 -7.15 12.99 Favored 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 122.341 2.027 . . . . 1.0 111.986 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.431 ' O ' ' OD1' ' A' 1808 ' ' ASP . 11.7 t70 -88.47 -3.92 58.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.273 -0.422 . . . . 1.0 111.064 -179.134 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 62.88 27.63 16.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.925 0.393 . . . . 1.0 110.657 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . 0.408 ' O ' ' CB ' ' A' 1811 ' ' GLN . 3.2 p -67.99 -32.62 73.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.593 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . 0.408 ' CB ' ' O ' ' A' 1810 ' ' THR . 3.2 tp60 78.6 19.64 0.89 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.679 . . . . 1.0 110.835 179.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . 0.595 ' CD2' ' NE ' ' A' 1851 ' ' ARG . 22.5 m-85 -130.05 154.43 47.44 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 109.498 -0.556 . . . . 1.0 109.498 178.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 10.5 tt -140.59 148.16 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 O-C-N 122.054 -0.404 . . . . 1.0 110.082 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -78.92 137.05 37.45 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.666 0.27 . . . . 1.0 111.511 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 48.1 t80 -54.21 -44.54 71.74 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 120.456 -0.498 . . . . 1.0 111.264 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.12 -23.22 33.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.88 0.372 . . . . 1.0 110.847 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 77.9 mttt -108.61 3.87 23.36 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.082 -0.508 . . . . 1.0 111.372 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 47.5 tp -69.92 -23.79 63.28 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.365 -0.534 . . . . 1.0 110.474 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . 0.548 ' C ' ' HZ1' ' A' 1833 ' ' LYS . 4.4 m -75.0 -35.44 62.0 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.5 -0.48 . . . . 1.0 109.974 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 52.2 t0 -68.84 -25.13 64.49 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.577 -0.527 . . . . 1.0 109.577 179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.469 ' CZ ' HD21 ' A' 1825 ' ' LEU . 67.9 t80 -81.48 -48.52 11.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.989 -1.005 . . . . 1.0 110.737 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.78 -37.3 29.35 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 1.0 112.137 -178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -93.99 2.06 56.15 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 120.954 0.407 . . . . 1.0 110.29 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.67 -24.56 25.21 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.857 178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.469 HD21 ' CZ ' ' A' 1821 ' ' PHE . 88.8 mt -72.68 168.75 18.08 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.149 0.5 . . . . 1.0 110.613 -179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -113.02 147.73 37.87 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 115.408 -0.815 . . . . 1.0 109.391 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.438 ' HA ' ' H ' ' A' 1829 ' ' LEU . 87.5 Cg_exo -43.6 147.43 1.07 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.449 1.433 . . . . 1.0 111.247 179.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -89.14 49.83 0.92 Allowed 'Cis proline' 0 N--CA 1.503 2.062 0 CA-C-N 119.773 0.955 . . . . 1.0 112.386 0.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' 1827 ' ' PRO . 20.2 mt -133.62 -5.19 2.88 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.522 0.201 . . . . 1.0 111.139 -179.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.466 HD13 ' O ' ' A' 1825 ' ' LEU . 15.7 tp -80.66 128.78 34.01 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.899 0.703 . . . . 1.0 112.899 -177.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.486 ' C ' ' H ' ' A' 1833 ' ' LYS . 57.9 mt -115.74 100.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 105.91 -1.885 . . . . 1.0 105.91 176.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.593 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -66.02 18.41 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -176.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.593 ' O ' ' O ' ' A' 1832 ' ' ALA . 0.8 OUTLIER 49.45 165.86 0.03 OUTLIER Pre-proline 0 CA--C 1.555 1.154 0 C-N-CA 119.434 -0.906 . . . . 1.0 108.889 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -87.71 36.25 4.34 Favored 'Cis proline' 0 N--CA 1.49 1.278 0 CA-C-N 119.95 1.018 . . . . 1.0 112.915 0.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.591 ' ND2' ' H ' ' A' 1835 ' ' ASN . 0.2 OUTLIER -75.29 68.79 2.05 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 118.871 -1.132 . . . . 1.0 110.168 -179.595 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -78.78 -31.2 45.99 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.241 1.02 . . . . 1.0 110.037 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 11.7 t -57.19 -46.58 84.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 113.252 -1.794 . . . . 1.0 109.684 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . 0.493 ' O ' ' SD ' ' A' 1842 ' ' MET . 71.3 mt-30 -50.63 -30.14 12.71 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.873 -0.603 . . . . 1.0 109.689 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 17.3 mt -74.65 -37.1 62.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.784 -0.644 . . . . 1.0 109.851 178.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . 0.41 ' C ' ' H ' ' A' 1842 ' ' MET . 8.0 mm -73.55 -38.03 51.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.013 -0.675 . . . . 1.0 109.321 178.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -73.28 41.63 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.533 0.206 . . . . 1.0 111.126 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' 1838 ' ' GLN . 0.0 OUTLIER -128.33 -22.36 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.625 -0.509 . . . . 1.0 109.625 179.589 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 2.1 m-20 63.75 25.28 14.11 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.8 mt -50.22 108.89 1.11 Allowed Pre-proline 0 CA--C 1.537 0.457 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.353 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -46.13 141.12 9.98 Favored 'Trans proline' 0 N--CA 1.489 1.227 0 C-N-CA 121.039 1.159 . . . . 1.0 110.153 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 16.9 mmt -119.52 124.33 46.15 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.956 -178.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.516 ' O ' ' C ' ' A' 1848 ' ' SER . 28.5 m -92.04 -173.99 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.445 0 N-CA-C 107.054 -1.462 . . . . 1.0 107.054 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' 1850 ' ' ASP . 3.2 p -24.26 121.07 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.698 0 O-C-N 123.362 0.414 . . . . 1.0 110.998 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' 1848 ' ' SER . . . -25.56 -36.78 0.01 OUTLIER Glycine 0 N--CA 1.473 1.14 0 O-C-N 123.555 0.535 . . . . 1.0 112.805 -178.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.578 ' N ' ' O ' ' A' 1848 ' ' SER . 3.2 m-20 -41.39 -73.52 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 113.64 0.978 . . . . 1.0 113.64 -178.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.595 ' NE ' ' CD2' ' A' 1812 ' ' PHE . 0.0 OUTLIER -141.69 -175.41 4.37 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.084 0.772 . . . . 1.0 113.084 -176.26 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . 0.623 HG22 ' N ' ' A' 1853 ' ' HIS . 3.9 mp -118.25 167.83 11.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 CA-C-N 114.961 -1.018 . . . . 1.0 111.696 -178.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.623 ' N ' HG22 ' A' 1852 ' ' ILE . 2.2 t-80 -84.06 121.14 27.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.748 -1.114 . . . . 1.0 110.578 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 19.3 t -59.66 -40.74 88.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.777 178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.13 -38.64 65.68 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.235 -0.586 . . . . 1.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 7.8 t0 -74.49 -42.83 58.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.558 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.17 -44.59 92.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.755 -0.461 . . . . 1.0 109.755 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 22.9 tp -59.72 -50.03 75.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.099 0.476 . . . . 1.0 110.855 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.19 -34.17 77.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.403 -179.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.57 -40.46 73.3 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.207 -0.597 . . . . 1.0 111.083 -178.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' 1865 ' ' VAL . 6.9 m-85 -74.77 -21.75 59.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.548 -0.751 . . . . 1.0 110.173 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 98.1 m -80.25 -33.34 37.99 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.114 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.78 -46.16 17.48 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.835 -0.62 . . . . 1.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 20.4 ttp85 -51.47 -41.04 60.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.538 0.57 . . . . 1.0 112.538 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' 1861 ' ' PHE . 3.1 t -38.06 -48.11 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 CA-C-O 121.001 0.429 . . . . 1.0 110.897 -178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' 1866 ' ' LEU . 0.9 OUTLIER -92.26 -39.81 11.31 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.959 -0.564 . . . . 1.0 109.489 179.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . . . . . . . . . . . 43.28 -165.38 0.02 OUTLIER Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.204 -0.758 . . . . 1.0 111.204 179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 47.26 -97.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 1.0 110.421 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 36.1 m -50.02 -59.1 4.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.555 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 127.97 -78.62 0.38 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.709 -0.957 . . . . 1.0 110.709 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -172.43 -133.83 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.639 0.257 . . . . 1.0 110.339 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 13.7 mmt -74.54 -17.98 60.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.428 -0.351 . . . . 1.0 110.36 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -73.54 -27.98 61.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -53.06 -40.48 64.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.369 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 6.2 mp -74.2 -31.06 62.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.347 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -68.34 -33.3 74.05 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.535 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 83.0 mt -80.69 -16.88 12.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.553 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . 0.482 ' C ' ' H ' ' A' 1880 ' ' GLU . 61.6 tt0 -54.26 -19.12 4.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.638 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 19.9 mmt -59.89 -1.53 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.664 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' 1878 ' ' GLN . 14.7 tp10 46.88 35.87 3.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.028 0.442 . . . . 1.0 110.093 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -171.4 -104.78 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.817 -0.629 . . . . 1.0 110.184 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 . . . . . 0 C--N 1.322 -0.605 0 CA-C-O 118.066 -0.968 . . . . 1.0 110.464 179.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.877 0.37 . . . . 1.0 110.548 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -156.31 -82.79 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.449 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 25.3 t80 -53.01 136.58 34.83 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.488 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 6.0 t -163.26 76.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.611 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' 1782 ' ' ALA . 23.2 m 36.39 -149.73 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-N 116.2 -0.454 . . . . 1.0 111.24 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' 1781 ' ' VAL . . . 65.88 80.64 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.378 -0.373 . . . . 1.0 110.621 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' 1785 ' ' GLU . 2.6 p -111.65 111.98 23.35 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . 0.43 ' N ' ' CD ' ' A' 1784 ' ' GLU . 38.1 mp0 -75.55 38.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.353 179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' 1783 ' ' THR . 37.9 mt-10 -150.15 17.51 0.85 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.456 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . . . . . . . . . 8.8 t -146.7 86.02 1.65 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.612 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -47.69 166.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.087 0.47 . . . . 1.0 110.568 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -44.65 115.48 2.37 Favored Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.64 -0.709 . . . . 1.0 110.598 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -80.52 -158.64 0.1 OUTLIER 'Trans proline' 0 N--CA 1.491 1.378 0 C-N-CA 121.786 1.657 . . . . 1.0 111.682 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . 0.487 HD23 ' C ' ' A' 1790 ' ' LEU . 2.1 tt -85.84 96.44 9.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.937 0.399 . . . . 1.0 110.069 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . . . . . . . . . 45.0 m -104.87 179.52 4.25 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.712 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -60.53 -32.19 71.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.917 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 24.1 t0 -48.57 -31.4 6.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.871 0.367 . . . . 1.0 110.448 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -72.77 -44.78 61.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.494 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -50.74 -48.79 58.97 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.393 -179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -67.63 -52.99 31.69 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 121.066 -0.253 . . . . 1.0 111.283 -179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 1.5 ptt? -53.32 -36.29 61.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 1.0 110.124 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' 1798 ' ' PHE . 27.6 t80 -62.78 -41.19 99.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.446 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -70.28 -31.01 68.17 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.488 -0.485 . . . . 1.0 109.852 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -60.93 -40.36 92.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.443 -0.344 . . . . 1.0 110.297 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 21.0 t -77.75 -38.88 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -53.98 -44.39 70.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.962 -0.563 . . . . 1.0 111.023 -179.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -54.01 -28.21 36.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 1.0 111.553 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 51.8 mttm -70.84 -35.45 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.766 0.654 . . . . 1.0 112.766 -179.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . 0.428 ' O ' ' OD1' ' A' 1806 ' ' ASP . 44.9 m-85 -95.57 -7.82 36.77 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.328 -0.851 . . . . 1.0 111.273 -179.335 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' A' 1805 ' ' PHE . 4.8 m-20 -159.94 87.57 1.95 Allowed Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 120.62 -0.432 . . . . 1.0 111.633 -179.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -83.44 -2.24 10.47 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.5 2.133 . . . . 1.0 111.828 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . . . . . . . . . 11.9 t70 -89.27 -6.48 56.74 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.309 -0.405 . . . . 1.0 111.245 -179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . . . . . . . . . . . 63.03 29.48 16.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.518 -0.31 . . . . 1.0 111.236 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 5.1 p -68.18 -32.52 72.82 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.986 -0.376 . . . . 1.0 109.986 179.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . 0.425 ' HB2' ' HE2' ' A' 1853 ' ' HIS . 32.9 mt-30 75.02 21.26 2.0 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.407 -0.815 . . . . 1.0 110.873 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -128.98 152.55 48.47 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.923 -0.769 . . . . 1.0 108.923 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.1 tt -144.41 145.71 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 N-CA-C 109.091 -0.707 . . . . 1.0 109.091 179.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -79.37 143.27 35.26 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 120.096 -0.642 . . . . 1.0 111.586 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 68.9 t80 -55.41 -44.46 76.23 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.893 -0.594 . . . . 1.0 111.293 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -57.43 -23.06 47.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.202 -179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 61.1 mttm -104.76 -2.23 25.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.24 -0.436 . . . . 1.0 111.643 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 29.3 tp -68.4 -48.71 63.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.354 -0.539 . . . . 1.0 111.251 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 15.2 m -50.58 -34.54 26.17 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.51 -0.476 . . . . 1.0 110.509 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 53.0 t0 -72.69 -60.55 2.18 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.26 -0.645 . . . . 1.0 109.26 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.555 ' CZ ' HD21 ' A' 1825 ' ' LEU . 54.8 t80 -46.44 -43.72 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.072 -0.714 . . . . 1.0 109.072 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.98 -36.78 29.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.25 -0.887 . . . . 1.0 111.922 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' 1833 ' ' LYS . 1.9 m-20 -95.91 3.04 53.91 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-O 121.235 0.541 . . . . 1.0 110.056 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -87.86 -23.23 24.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.272 -0.876 . . . . 1.0 109.917 179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.555 HD21 ' CZ ' ' A' 1821 ' ' PHE . 85.2 mt -72.94 170.54 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.344 0.592 . . . . 1.0 110.736 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -114.95 154.62 47.04 Favored Pre-proline 0 CA--C 1.532 0.284 0 CA-C-N 115.258 -0.883 . . . . 1.0 108.695 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' 1829 ' ' LEU . 12.4 Cg_endo -55.63 148.25 55.25 Favored 'Trans proline' 0 C--N 1.31 -1.451 0 C-N-CA 121.757 1.638 . . . . 1.0 110.637 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -87.33 48.43 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.924 0 CA-C-N 119.81 0.968 . . . . 1.0 113.057 0.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' 1827 ' ' PRO . 14.3 mt -132.2 -3.68 3.49 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.828 0.347 . . . . 1.0 110.258 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . . . . . . . . . 17.6 tp -79.95 123.31 27.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.135 -0.484 . . . . 1.0 111.483 -178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.569 HG22 ' OD1' ' A' 1835 ' ' ASN . 20.7 mt -115.73 106.98 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.158 0 N-CA-C 107.623 -1.251 . . . . 1.0 107.623 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' 1835 ' ' ASN . . . -57.16 149.56 19.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.177 0.513 . . . . 1.0 111.524 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.488 ' N ' ' OD2' ' A' 1823 ' ' ASP . 8.7 ptmm? -102.22 152.56 38.29 Favored Pre-proline 0 N--CA 1.462 0.167 0 N-CA-C 108.731 -0.84 . . . . 1.0 108.731 179.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -74.94 128.07 15.65 Favored 'Cis proline' 0 N--CA 1.505 2.171 0 CA-C-N 119.876 0.991 . . . . 1.0 113.363 0.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.629 ' C ' HD22 ' A' 1835 ' ' ASN . 0.2 OUTLIER -144.24 65.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 119.163 -1.015 . . . . 1.0 111.37 176.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -83.5 -32.05 26.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.847 0.832 . . . . 1.0 110.66 176.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . . . . . . . . . 3.5 t -69.25 -31.92 51.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 114.114 -1.403 . . . . 1.0 110.685 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . 0.472 ' O ' ' SD ' ' A' 1842 ' ' MET . 18.7 mm100 -68.94 -31.39 70.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.283 0.563 . . . . 1.0 109.528 178.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 85.3 mt -79.29 -33.71 43.08 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.245 -0.889 . . . . 1.0 111.123 179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 74.2 mt -73.15 -41.52 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 C-N-CA 120.36 -0.536 . . . . 1.0 110.459 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -77.73 43.37 0.41 Allowed 'General case' 0 CA--C 1.531 0.238 0 CA-C-O 121.209 0.528 . . . . 1.0 110.346 178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . 0.472 ' SD ' ' O ' ' A' 1838 ' ' GLN . 79.5 mtp -137.71 -2.79 1.91 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.458 -0.792 . . . . 1.0 110.544 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 37.06 31.68 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.76 0.314 . . . . 1.0 110.973 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' 1842 ' ' MET . 2.6 mt -36.59 100.81 0.21 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.76 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -48.22 118.17 3.04 Favored 'Trans proline' 0 N--CA 1.487 1.145 0 C-N-CA 121.468 1.445 . . . . 1.0 110.608 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 25.9 mtt -101.12 138.61 37.92 Favored 'General case' 0 CA--C 1.511 -0.521 0 CA-C-O 121.236 0.541 . . . . 1.0 110.823 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.512 ' O ' ' C ' ' A' 1848 ' ' SER . 0.2 OUTLIER -80.29 -177.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 108.079 -1.082 . . . . 1.0 108.079 178.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.744 ' O ' ' N ' ' A' 1850 ' ' ASP . 75.7 m 2.19 110.09 0.0 OUTLIER 'General case' 0 C--O 1.22 -0.479 0 O-C-N 124.259 0.974 . . . . 1.0 113.569 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 30.57 -52.57 0.0 OUTLIER Glycine 0 CA--C 1.546 1.989 0 N-CA-C 117.0 1.56 . . . . 1.0 117.0 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.744 ' N ' ' O ' ' A' 1848 ' ' SER . 4.8 p-10 -152.63 78.21 1.19 Allowed 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 117.28 0.54 . . . . 1.0 111.577 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' 1847 ' ' VAL . 24.5 ttp180 -168.63 138.88 2.43 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 120.753 -0.379 . . . . 1.0 111.353 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . 0.42 HD13 HG21 ' A' 1852 ' ' ILE . 0.4 OUTLIER -113.52 143.49 23.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 N-CA-C 109.82 -0.437 . . . . 1.0 109.82 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.425 ' HE2' ' HB2' ' A' 1811 ' ' GLN . 16.4 t-80 -104.2 151.61 23.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 121.372 0.606 . . . . 1.0 110.766 179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . . . . . . . . . 15.0 t -55.39 -31.15 61.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.017 -0.992 . . . . 1.0 111.158 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 73.3 mt -72.33 -35.34 68.57 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.511 -0.476 . . . . 1.0 110.649 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.52 -41.53 69.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.056 0.455 . . . . 1.0 110.325 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 85.6 mt -67.31 -41.08 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.751 -0.659 . . . . 1.0 110.593 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . . . . . . . . . 24.8 tp -62.28 -49.88 73.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 1.0 111.167 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 39.4 t80 -66.62 -43.72 83.99 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.732 0.271 . . . . 1.0 111.732 -179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -63.76 -38.11 89.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.038 0.447 . . . . 1.0 110.886 -179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -74.35 -22.54 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.796 -0.638 . . . . 1.0 109.839 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . . . . . . . . . 23.8 m -79.19 -33.88 43.48 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.244 -0.651 . . . . 1.0 109.244 178.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.518 ' O ' ' N ' ' A' 1867 ' ' GLY . 17.4 ttpp -73.96 -48.61 29.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.606 -0.725 . . . . 1.0 110.232 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -52.83 -41.67 64.42 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.855 -0.611 . . . . 1.0 112.167 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' 1865 ' ' VAL . 93.4 t -82.16 -14.09 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.187 -0.915 . . . . 1.0 110.846 179.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . . . . . . . . . 7.1 tt -104.34 -17.82 14.67 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.404 -0.362 . . . . 1.0 111.737 -179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' 1863 ' ' LYS . . . -82.08 13.45 38.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.229 -0.748 . . . . 1.0 111.229 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -80.72 -13.78 58.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.743 0.306 . . . . 1.0 110.667 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 14.4 m -160.6 -20.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.583 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 74.27 163.04 9.21 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -163.58 -25.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.987 0.422 . . . . 1.0 110.47 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . . . . . . . . . 19.8 ptm -89.55 -11.16 43.58 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.613 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -83.43 -29.08 28.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.653 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -54.04 -18.74 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.547 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.81 -16.61 62.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.565 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 56.0 ttm-85 -78.93 -28.17 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . 0.715 ' N ' HD12 ' A' 1877 ' ' ILE . 1.7 mp -78.37 -12.1 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.23 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -68.66 -28.41 66.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.65 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' 1881 ' ' GLU . 13.3 ptt? -160.71 57.6 0.32 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -66.34 68.66 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' 1879 ' ' MET . 30.2 tt0 -71.37 107.35 4.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.612 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.573 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1777 ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.739 0.304 . . . . 1.0 110.539 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1778 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -78.19 -10.16 59.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.531 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1779 ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -85.72 -173.54 4.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1780 ' ' SER . . . . . . . . . . . . . 23.8 t -63.84 149.84 46.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.511 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1781 ' ' VAL . . . . . . . . . . . . . 23.9 m -75.62 -176.35 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.542 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -165.42 80.14 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.555 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1783 ' ' THR . . . . . 0.409 HG22 ' H ' ' A' 1783 ' ' THR . 0.1 OUTLIER -70.84 -51.06 28.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.506 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1784 ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -136.09 -77.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.502 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1785 ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' 1786 ' ' SER . 9.7 tm-20 -161.14 101.23 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.46 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1786 ' ' SER . . . . . 0.425 ' O ' ' OE2' ' A' 1785 ' ' GLU . 12.8 p -77.4 140.57 39.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.504 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1787 ' ' ALA . . . . . . . . . . . . . . . -155.55 143.43 19.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.401 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1788 ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -76.58 150.51 82.14 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.355 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1789 ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -37.39 -51.28 1.64 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 122.28 1.987 . . . . 1.0 112.476 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1790 ' ' LEU . . . . . . . . . . . . . 8.8 mt -105.71 128.13 53.49 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.517 -179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1791 ' ' SER . . . . . 0.464 ' O ' ' OD2' ' A' 1794 ' ' ASP . 70.1 p -114.45 162.17 17.02 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 115.815 -0.63 . . . . 1.0 110.123 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1792 ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -42.97 -37.9 2.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.154 -0.475 . . . . 1.0 111.216 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1793 ' ' ASP . . . . . . . . . . . . . 47.5 t0 -48.39 -34.47 10.85 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.716 -0.394 . . . . 1.0 110.471 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1794 ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' 1795 ' ' PHE . 0.6 OUTLIER -70.85 -43.95 67.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.688 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1795 ' ' PHE . . . . . 0.473 ' N ' ' OD1' ' A' 1794 ' ' ASP . 8.9 m-85 -50.95 -47.74 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.973 -0.558 . . . . 1.0 109.796 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1796 ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -68.91 -53.02 23.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1797 ' ' MET . . . . . . . . . . . . . 4.2 ptt? -54.26 -35.52 62.61 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 120.813 0.34 . . . . 1.0 110.915 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1798 ' ' PHE . . . . . . . . . . . . . 35.7 t80 -64.38 -40.06 95.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 1.0 110.519 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1799 ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -69.54 -30.78 68.68 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.604 -0.438 . . . . 1.0 109.857 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1800 ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -62.25 -43.34 99.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.5 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1801 ' ' VAL . . . . . . . . . . . . . 19.5 t -74.36 -38.15 46.48 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 N-CA-C 108.913 -0.773 . . . . 1.0 108.913 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1802 ' ' TRP . . . . . . . . . . . . . 20.2 t-105 -56.52 -42.59 78.66 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.951 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1803 ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -56.92 -27.57 61.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.327 -0.397 . . . . 1.0 111.494 -179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1804 ' ' LYS . . . . . . . . . . . . . 23.6 mtpp -70.34 -34.15 72.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.404 0.621 . . . . 1.0 112.297 -178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1805 ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -98.13 -5.52 33.47 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.013 -179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1806 ' ' ASP . . . . . . . . . . . . . 40.5 t0 -155.36 83.84 3.65 Favored Pre-proline 0 C--N 1.329 -0.285 0 C-N-CA 121.016 -0.274 . . . . 1.0 110.954 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1807 ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -82.05 -6.37 12.17 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.284 1.989 . . . . 1.0 111.974 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1808 ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' 1808 ' ' ASP . 4.6 m-20 -88.87 -6.96 56.95 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.078 -0.51 . . . . 1.0 111.317 -178.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1809 ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' 1808 ' ' ASP . . . 63.77 29.53 14.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.779 0.323 . . . . 1.0 110.551 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1810 ' ' THR . . . . . . . . . . . . . 4.4 p -68.65 -31.33 70.38 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1811 ' ' GLN . . . . . 0.49 ' O ' ' SG ' ' A' 1854 ' ' CYS . 9.2 mt-30 77.26 20.16 1.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.311 -0.859 . . . . 1.0 110.682 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1812 ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -131.46 155.09 47.96 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.168 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1813 ' ' ILE . . . . . . . . . . . . . 11.6 tt -143.37 147.28 20.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 N-CA-C 109.744 -0.465 . . . . 1.0 109.744 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1814 ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.41 142.78 32.66 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 120.537 -0.465 . . . . 1.0 111.088 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1815 ' ' PHE . . . . . . . . . . . . . 31.2 t80 -56.54 -44.64 81.06 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.446 -0.343 . . . . 1.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1816 ' ' ALA . . . . . . . . . . . . . . . -56.45 -23.04 36.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.783 0.325 . . . . 1.0 110.815 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1817 ' ' LYS . . . . . . . . . . . . . 48.4 mttm -107.25 -0.39 22.62 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.265 -0.425 . . . . 1.0 111.008 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1818 ' ' LEU . . . . . . . . . . . . . 45.8 tp -69.45 -25.5 64.13 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.636 -0.426 . . . . 1.0 110.574 -179.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 7.7 t -73.53 -35.5 65.57 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.369 -0.532 . . . . 1.0 110.348 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1820 ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -71.45 -24.85 62.09 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.256 -0.646 . . . . 1.0 109.256 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1821 ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' 1825 ' ' LEU . 60.9 t80 -81.61 -48.2 12.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.858 -1.065 . . . . 1.0 110.505 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1822 ' ' ALA . . . . . . . . . . . . . . . -49.69 -36.76 26.2 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.985 -1.007 . . . . 1.0 111.507 -178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1823 ' ' ASP . . . . . . . . . . . . . 11.7 p30 -92.96 1.32 57.36 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.956 0.408 . . . . 1.0 110.053 178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1824 ' ' ALA . . . . . . . . . . . . . . . -86.85 -24.72 24.84 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.501 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1825 ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' 1821 ' ' PHE . 95.3 mt -71.34 172.64 9.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.245 0.545 . . . . 1.0 110.866 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1826 ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' 1826 ' ' ASP . 0.0 OUTLIER -115.98 156.28 46.9 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 108.493 -0.929 . . . . 1.0 108.493 178.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1827 ' ' PRO . . . . . 0.468 ' HA ' ' H ' ' A' 1829 ' ' LEU . 18.0 Cg_endo -59.17 147.88 88.45 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.078 1.852 . . . . 1.0 110.646 179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1828 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -88.55 50.2 0.84 Allowed 'Cis proline' 0 N--CA 1.501 1.944 0 CA-C-N 119.715 0.934 . . . . 1.0 113.136 0.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1829 ' ' LEU . . . . . 0.468 ' H ' ' HA ' ' A' 1827 ' ' PRO . 6.2 mt -133.35 -6.55 2.96 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.856 0.36 . . . . 1.0 110.038 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1830 ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' 1831 ' ' ILE . 10.8 tp -76.82 126.79 31.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.886 -0.597 . . . . 1.0 111.574 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1831 ' ' ILE . . . . . 0.526 ' N ' HD12 ' A' 1830 ' ' LEU . 92.3 mt -116.96 105.0 17.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.156 0 N-CA-C 107.447 -1.316 . . . . 1.0 107.447 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1832 ' ' ALA . . . . . 0.513 ' O ' ' O ' ' A' 1833 ' ' LYS . . . -103.07 113.99 27.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 122.179 0.99 . . . . 1.0 110.619 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1833 ' ' LYS . . . . . 0.513 ' O ' ' O ' ' A' 1832 ' ' ALA . 1.1 mttp -32.16 157.98 0.03 OUTLIER Pre-proline 0 CA--C 1.538 0.508 0 CA-C-N 112.461 -2.154 . . . . 1.0 110.385 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1834 ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -90.52 90.02 0.12 OUTLIER 'Cis proline' 0 N--CA 1.495 1.601 0 N-CA-C 115.528 1.318 . . . . 1.0 115.528 1.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1835 ' ' ASN . . . . . 0.536 ' ND2' ' N ' ' A' 1835 ' ' ASN . 0.1 OUTLIER -144.84 64.3 1.29 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.575 0.702 . . . . 1.0 109.54 175.431 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1836 ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -84.5 -35.5 22.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.674 -1.148 . . . . 1.0 111.634 176.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1837 ' ' VAL . . . . . 0.421 HG23 ' H ' ' A' 1837 ' ' VAL . 7.8 t -52.23 -49.07 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 114.112 -1.404 . . . . 1.0 110.378 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1838 ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' 1838 ' ' GLN . 3.5 mp0 -48.61 -32.53 8.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.567 -0.742 . . . . 1.0 110.241 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1839 ' ' LEU . . . . . . . . . . . . . 24.0 mt -66.45 -42.33 87.77 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.66 -0.496 . . . . 1.0 109.66 178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1840 ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.24 -37.2 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.827 -0.435 . . . . 1.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1841 ' ' ALA . . . . . . . . . . . . . . . -53.82 -28.95 38.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.279 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1842 ' ' MET . . . . . . . . . . . . . 4.1 mtp -75.64 -28.64 58.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.68 0.276 . . . . 1.0 110.824 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1843 ' ' ASP . . . . . . . . . . . . . 13.9 t70 60.9 41.36 14.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.058 0.456 . . . . 1.0 110.019 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1844 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -45.41 107.89 0.71 Allowed Pre-proline 0 CA--C 1.536 0.417 0 CA-C-N 115.739 -0.664 . . . . 1.0 110.887 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1845 ' ' PRO . . . . . . . . . . . . . 91.4 Cg_exo -42.52 132.78 5.19 Favored 'Trans proline' 0 N--CA 1.492 1.424 0 C-N-CA 121.746 1.631 . . . . 1.0 111.389 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1846 ' ' MET . . . . . . . . . . . . . 2.3 mtt -107.63 131.01 54.84 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.312 0.577 . . . . 1.0 111.277 -179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1847 ' ' VAL . . . . . 0.496 ' O ' ' C ' ' A' 1848 ' ' SER . 0.0 OUTLIER -89.26 -174.79 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.171 -0.922 . . . . 1.0 108.948 179.402 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1848 ' ' SER . . . . . 0.782 ' O ' ' N ' ' A' 1850 ' ' ASP . 3.9 m 3.12 115.0 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.543 0 O-C-N 124.539 1.15 . . . . 1.0 112.687 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1849 ' ' GLY . . . . . . . . . . . . . . . 7.23 -51.82 0.0 OUTLIER Glycine 0 CA--C 1.542 1.72 0 O-C-N 124.458 1.099 . . . . 1.0 115.809 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1850 ' ' ASP . . . . . 0.782 ' N ' ' O ' ' A' 1848 ' ' SER . 25.7 p30 -132.3 65.93 1.57 Allowed 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 117.482 0.641 . . . . 1.0 112.087 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1851 ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -168.57 139.11 2.5 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.246 -0.581 . . . . 1.0 112.471 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1852 ' ' ILE . . . . . 0.587 HG22 ' N ' ' A' 1853 ' ' HIS . 39.8 mt -102.54 163.3 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 CA-C-N 116.05 -0.523 . . . . 1.0 112.238 -177.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1853 ' ' HIS . . . . . 0.587 ' N ' HG22 ' A' 1852 ' ' ILE . 2.8 t-80 -103.62 121.77 43.62 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.435 -0.802 . . . . 1.0 111.326 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1854 ' ' CYS . . . . . 0.49 ' SG ' ' O ' ' A' 1811 ' ' GLN . 6.2 p -57.51 -46.44 83.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.704 -0.225 . . . . 1.0 110.768 179.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1855 ' ' LEU . . . . . . . . . . . . . 24.4 mt -51.42 -38.51 53.93 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.131 -0.628 . . . . 1.0 109.813 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1856 ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -70.63 -46.77 62.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.065 179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1857 ' ' ILE . . . . . . . . . . . . . 96.4 mt -57.95 -44.6 87.05 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.103 0 N-CA-C 109.849 -0.426 . . . . 1.0 109.849 179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1858 ' ' LEU . . . . . 0.421 ' O ' ' OG1' ' A' 1862 ' ' THR . 24.5 tp -64.08 -50.04 69.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.755 0.312 . . . . 1.0 110.978 -178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1859 ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -68.52 -36.36 78.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.779 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1860 ' ' ALA . . . . . . . . . . . . . . . -70.47 -39.44 74.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.411 -0.515 . . . . 1.0 111.063 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1861 ' ' PHE . . . . . 0.491 ' O ' HG22 ' A' 1865 ' ' VAL . 5.2 m-85 -73.7 -22.35 59.94 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.078 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1862 ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' 1858 ' ' LEU . 24.9 m -79.31 -32.0 43.36 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.098 179.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1863 ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' 1867 ' ' GLY . 26.8 mmtm -77.64 -44.21 28.88 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.759 -0.377 . . . . 1.0 110.828 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1864 ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -52.54 -40.94 63.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.463 0.649 . . . . 1.0 111.256 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1865 ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' 1861 ' ' PHE . 27.6 m -81.09 -15.16 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.506 0 CA-C-N 114.817 -1.083 . . . . 1.0 111.47 179.028 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1866 ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' 1866 ' ' LEU . 1.0 OUTLIER -104.58 -20.13 13.77 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 120.695 0.283 . . . . 1.0 111.482 -179.596 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1867 ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' 1863 ' ' LYS . . . 84.22 157.76 26.62 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1868 ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -74.4 -15.49 60.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.774 0.321 . . . . 1.0 110.724 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1869 ' ' SER . . . . . . . . . . . . . 34.7 t -53.76 -40.28 66.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.619 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1870 ' ' GLY . . . . . . . . . . . . . . . 63.69 67.91 1.87 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1871 ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -58.4 -11.0 2.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.908 0.385 . . . . 1.0 110.546 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1872 ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' 1872 ' ' MET . 1.8 tmt? -73.85 -33.42 64.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.529 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1873 ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.34 -21.0 21.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1874 ' ' ALA . . . . . . . . . . . . . . . -81.36 -44.9 16.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.495 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1875 ' ' LEU . . . . . . . . . . . . . 7.9 tt -52.6 -34.68 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.444 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1876 ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -76.34 -48.61 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.665 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1877 ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.86 -19.47 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1878 ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.84 -36.5 84.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.481 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1879 ' ' MET . . . . . . . . . . . . . 31.6 tpp -85.35 51.03 2.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.549 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1880 ' ' GLU . . . . . . . . . . . . . 41.3 tp10 -85.71 -49.03 8.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.491 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1881 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.14 108.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.36 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1882 ' ' ARG . . . . . . . . . . . . . 8.6 mmp_? . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.088 -0.958 . . . . 1.0 110.396 -179.897 . . . . . . . . 0 0 . 1 stop_ save_