data_2kgx_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 2kgx _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 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.143 -0.383 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 10.5 tp -111.21 148.39 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 122.598 -0.354 . . . . 10.0 110.082 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.93 98.21 14.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 110.27 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -90.48 -0.52 5.28 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.661 2.241 . . . . 10.0 111.714 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -102.09 -90.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.047 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1654 ' ' THR . . . . . . . . . . . . . 12.8 t 171.2 29.19 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.16 159.8 31.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 119.766 -0.774 . . . . 10.0 112.248 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.93 144.93 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.484 2.123 . . . . 10.0 110.313 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.44 -39.73 2.8 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.212 -0.994 . . . . 10.0 111.674 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -51.54 -43.33 62.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.074 0.464 . . . . 10.0 110.023 173.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.13 -56.35 19.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -59.04 -38.33 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.989 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 81.3 m -67.66 -42.74 81.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.963 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.93 -34.77 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 10.0 110.731 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.1 p -68.7 -36.79 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.025 0.44 . . . . 10.0 110.601 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.22 65.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.531 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 11.8 mt -55.95 -39.8 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.777 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.49 94.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.111 0.482 . . . . 10.0 111.274 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.08 -46.53 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.275 0.559 . . . . 10.0 110.723 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.0 -37.45 87.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.331 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -60.89 -39.12 88.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.415 0.626 . . . . 10.0 109.488 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.9 t -64.21 -38.18 90.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.055 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 1.8 p -80.36 -21.32 42.51 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.47 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -43.77 75.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.975 0.417 . . . . 10.0 110.254 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.51 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.47 -48.03 82.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.369 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1675 ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.03 -28.1 66.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.462 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.51 -40.37 77.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -86.41 -15.31 40.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -80.2 -16.78 54.05 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.129 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 39.8 t -67.34 -37.06 82.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.733 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 1.2 tp -98.34 -14.77 20.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.762 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -76.02 -44.29 40.08 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.19 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 9.5 p -81.9 -17.18 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.4 t -103.28 14.85 30.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.084 0.469 . . . . 10.0 110.441 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 60.41 29.78 19.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.873 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -103.34 15.06 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.822 0.344 . . . . 10.0 110.956 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 140.46 49.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.762 -0.458 . . . . 10.0 109.762 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -85.65 140.0 35.65 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.924 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.28 110.7 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.153 2.568 . . . . 10.0 112.887 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? 41.03 -172.19 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.112 1.365 . . . . 10.0 114.678 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -47.76 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.27 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -175.54 69.17 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.4 tt -164.71 156.45 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.631 0.215 . . . . 10.0 110.698 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 32.5 p -88.03 -175.28 5.03 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.667 0.27 . . . . 10.0 111.256 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -77.14 -50.4 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -25.6 60.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.958 0.409 . . . . 10.0 110.416 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.96 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.394 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -55.43 -39.05 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.978 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -65.83 -58.54 5.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 10.0 111.06 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.4 -49.17 78.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.67 -174.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1702 ' ' MET . . . . . . . . . . . . . 70.0 mtp -66.69 -50.55 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.099 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.736 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 45.4 m -59.8 -41.73 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 10.0 110.628 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1705 ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.31 65.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.958 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1706 ' ' VAL . . . . . . . . . . . . . 96.3 t -54.23 -47.79 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.689 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.09 -49.73 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.442 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.32 -27.09 65.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.596 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1709 ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.36 -57.89 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1710 ' ' SER . . . . . . . . . . . . . 42.1 t -53.19 -40.25 64.27 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.325 0.583 . . . . 10.0 110.253 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.31 -41.17 65.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.762 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1712 ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.91 -17.48 25.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.821 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1713 ' ' ILE . . . . . . . . . . . . . 63.9 mt -60.66 -44.66 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.567 0.222 . . . . 10.0 110.731 -177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1714 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.38 -54.33 49.9 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.609 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1715 ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.24 -26.81 83.52 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.141 1.894 . . . . 10.0 112.836 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1716 ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.14 -41.64 63.73 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.429 -0.509 . . . . 10.0 109.734 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.14 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.075 0.464 . . . . 10.0 110.345 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.74 -36.61 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.593 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.76 -43.73 53.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.626 -177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.39 70.97 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.513 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -86.07 -14.31 44.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.54 0.571 . . . . 10.0 112.54 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.61 -53.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.465 0.913 . . . . 10.0 113.465 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -71.33 85.56 0.8 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.474 -0.141 . . . . 10.0 111.074 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.71 67.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 10.0 111.447 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.9 p -73.51 -18.23 61.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.461 . . . . 10.0 111.113 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -96.2 -31.98 12.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.86 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 26.1 tp -51.66 -49.53 62.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.119 -0.946 . . . . 10.0 111.798 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.96 56.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.305 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.97 -37.2 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.773 0.32 . . . . 10.0 110.809 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -69.49 -42.87 74.22 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 96.4 t -59.66 -44.4 93.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.958 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.7 m -53.51 -43.71 68.52 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.473 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.65 -46.63 65.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.401 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1734 ' ' MET . . . . . . . . . . . . . 57.0 ttm -63.19 -43.43 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.762 0.315 . . . . 10.0 111.445 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.108 0.48 . . . . 10.0 111.305 -173.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.88 -35.59 74.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.644 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -71.16 -28.46 64.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.502 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1738 ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -72.46 -23.24 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.12 -58.09 17.81 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.54 -0.464 . . . . 10.0 111.41 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -59.54 -34.05 96.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.69 1.593 . . . . 10.0 112.176 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1741 ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.17 -48.07 81.44 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.679 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1742 ' ' THR . . . . . . . . . . . . . 79.7 m -56.2 -55.53 32.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.236 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 74.1 mt -55.66 -48.58 74.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.065 0.459 . . . . 10.0 111.154 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.09 96.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.113 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.79 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.889 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1746 ' ' VAL . . . . . . . . . . . . . 43.3 t -63.81 -34.42 67.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.215 0.531 . . . . 10.0 109.596 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -59.72 -56.03 27.15 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.971 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1748 ' ' ALA . . . . . . . . . . . . . . . -57.43 -36.42 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.568 0.223 . . . . 10.0 111.105 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -53.33 -57.85 9.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 10.0 111.726 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 35.9 t -82.5 -22.79 34.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.638 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.6 tttp -91.44 -40.91 11.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.614 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 3.9 m -83.51 138.12 33.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 110.659 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 17.3 tp -157.45 27.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 10.0 110.604 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1754 ' ' SER . . . . . . . . . . . . . 24.5 m -88.92 -56.91 3.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.87 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 57.0 m80 -114.31 163.58 18.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.319 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.05 -3.16 9.22 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.276 2.651 . . . . 10.0 112.806 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.96 -6.55 46.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.071 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.45 -46.31 90.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 26.5 mmt -88.59 -12.12 43.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.498 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.74 25.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.07 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1761 ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.77 -27.37 61.97 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.225 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.35 -32.97 74.68 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.441 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.48 -31.25 24.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.502 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -68.33 -22.49 64.69 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.718 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 40.4 m -94.51 -29.61 14.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.677 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 58.0 tttm -68.0 -48.0 66.98 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.505 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 4.1 m -76.77 -15.51 59.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 53.4 tp -76.81 -37.07 56.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.247 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -70.96 -37.84 72.79 Favored 'General case' 0 C--N 1.337 0.036 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.408 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 68.7 m -69.95 -27.0 64.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.847 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -78.37 -25.28 46.24 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.718 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 38.7 tp -73.14 -45.37 57.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.61 -25.19 65.64 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1775 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.06 -53.45 30.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.137 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.44 -16.88 64.45 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.641 0.258 . . . . 10.0 111.12 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -70.31 -53.69 15.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 111.198 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.5 p -70.9 -33.36 70.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.113 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.7 -30.74 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.15 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.89 -37.53 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.284 0.564 . . . . 10.0 110.212 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -73.25 -53.82 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.431 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.45 55.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.588 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.02 0.03 OUTLIER Glycine 0 C--N 1.33 0.225 0 O-C-N 123.963 0.789 . . . . 10.0 114.695 -168.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 76.74 1.51 72.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.286 -0.457 . . . . 10.0 112.97 175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.5 t30 -139.81 95.43 8.74 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 10.0 111.123 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.23 -15.49 31.71 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.813 2.342 . . . . 10.0 112.427 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1787 ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' 1789 ' ' ALA . 0.9 OUTLIER -73.57 -61.43 1.83 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -172.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.6 25.03 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.29 0.567 . . . . 10.0 110.717 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1789 ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' 1787 ' ' LYS . . . -145.24 35.16 1.09 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.458 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.78 -49.94 67.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.737 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -82.25 -24.11 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 10.0 110.183 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1792 ' ' THR . . . . . . . . . . . . . 22.0 m -63.94 -27.84 69.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.833 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -56.97 -37.1 71.12 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.546 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -85.13 -28.17 25.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.392 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -73.83 -28.54 61.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.501 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.6 -30.0 67.65 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.77 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -77.04 -19.79 56.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.696 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -87.68 -22.12 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.538 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -86.67 -32.65 20.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.184 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 12.0 p -75.36 -37.22 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.974 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -76.39 -20.29 57.3 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.867 0.365 . . . . 10.0 111.084 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 18.8 ttt -79.7 -29.23 40.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.973 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1803 ' ' MET . . . . . . . . . . . . . 75.0 mtp -73.77 -49.48 25.22 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.339 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 10.9 t -64.23 -23.0 67.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.847 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.84 -37.85 87.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.647 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -89.17 -19.93 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.336 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1807 ' ' VAL . . . . . . . . . . . . . 42.3 t -69.87 -51.24 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.806 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -66.37 -31.1 71.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 10.7 t0 -75.52 -28.61 59.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.526 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 27.0 tp -75.48 -42.91 51.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.838 0.352 . . . . 10.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 19.2 m -57.98 -30.66 66.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.778 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 25.5 m -62.96 -38.16 89.95 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.722 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 7.7 m -78.97 -33.79 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.57 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.52 -49.07 76.79 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.117 0.484 . . . . 10.0 111.686 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -37.18 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.231 -175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -72.47 -32.81 66.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.78 -17.31 8.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.26 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.72 -49.71 57.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.042 0.449 . . . . 10.0 110.234 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.2 m -106.5 -17.0 14.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.365 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.9 -16.17 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.654 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.2 -30.12 2.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.456 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.638 -1.09 . . . . 10.0 111.894 177.198 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.32 138.22 46.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.659 0.384 . . . . 10.0 110.973 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -124.84 144.9 50.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.987 0.515 . . . . 10.0 110.688 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 13.6 tp -87.86 115.29 25.21 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.182 0.301 . . . . 10.0 110.318 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 315' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.05 162.16 36.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 123.973 0.795 . . . . 10.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 316' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -123.39 139.99 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.782 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -121.19 139.5 53.28 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.39 139.27 42.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 25.3 ttt -104.18 144.31 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.472 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -64.09 139.29 58.75 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.97 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 110.34 -43.09 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.488 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -126.51 179.91 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 10.0 110.437 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.51 93.1 2.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.514 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 324' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -153.83 138.82 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.005 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 55.8 mt -86.28 123.33 31.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 9.5 m -124.3 147.07 53.81 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.055 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 138.72 66.09 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.811 2.341 . . . . 10.0 113.215 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -147.08 147.03 30.19 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.75 0.42 . . . . 10.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 58.5 mt -101.43 135.7 42.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.596 0.358 . . . . 10.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 22.4 tp -125.1 117.66 24.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.542 0.337 . . . . 10.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.77 120.33 6.81 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-O 119.659 -0.523 . . . . 10.0 112.021 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.23 133.42 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 117.085 0.442 . . . . 10.0 110.623 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 75.7 p -126.16 175.66 7.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.862 0.465 . . . . 10.0 110.111 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -74.16 -10.36 59.54 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -112.35 -41.5 3.88 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 75.7 m -150.88 161.35 42.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 19.2 t -107.52 140.06 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.18 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -145.24 151.73 38.85 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -108.1 129.5 55.15 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.587 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' VAL . . . . . . . . . . . . . 42.1 t -112.73 138.6 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.941 0.496 . . . . 10.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.39 131.71 35.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.428 0.291 . . . . 10.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.93 -31.54 72.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.45 -51.04 7.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.248 0.833 . . . . 10.0 113.248 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 47.2 p -87.05 -19.92 27.92 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 61.54 43.6 10.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.249 0.62 . . . . 10.0 111.791 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.65 160.31 38.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 10.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 23.4 t -85.62 132.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.498 0.319 . . . . 10.0 110.436 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.5 -57.49 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 122.526 0.33 . . . . 10.0 110.233 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -143.94 149.97 37.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.739 0.415 . . . . 10.0 110.682 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -137.71 156.16 48.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.073 0.398 . . . . 10.0 112.073 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' TRP . . . . . . . . . . . . . 21.8 m-90 -130.03 152.43 49.5 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.286 0.634 . . . . 10.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 68.0 m -82.46 150.38 27.07 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 122.907 0.129 . . . . 10.0 110.83 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.33 -35.79 76.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 40.4 p -79.44 -12.55 59.89 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -13.71 53.32 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.455 0.57 . . . . 10.0 112.498 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.86 134.4 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 117.976 0.353 . . . . 10.0 110.312 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.65 -62.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.39 0.431 . . . . 10.0 111.482 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -135.57 165.57 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.252 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 43.3 p90 -153.36 144.93 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.309 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -107.87 121.81 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -97.89 94.81 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.779 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 68.9 m -102.64 157.47 33.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.94 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.77 -31.1 94.39 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.785 2.323 . . . . 10.0 113.258 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -119.77 -42.53 2.62 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 8.2 t -98.85 168.66 9.98 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -151.14 102.76 2.97 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.075 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 367' ' ' THR . . . . . . . . . . . . . 7.4 m -86.18 121.39 28.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.592 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.27 127.23 53.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.049 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -111.82 126.61 55.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.253 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -111.28 150.49 29.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -79.7 -103.25 0.26 Allowed Glycine 0 C--N 1.35 1.32 0 CA-C-O 119.821 -0.433 . . . . 10.0 112.988 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.77 70.1 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.94 0.4 . . . . 10.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -152.02 -55.54 0.13 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.107 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -105.14 130.86 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.53 0.519 . . . . 10.0 111.308 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -86.73 -36.65 18.52 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.741 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 376' ' ' GLY . . . . . . . . . . . . . . . -86.07 -155.13 25.5 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.622 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 377' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.47 149.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -129.81 104.63 7.51 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.244 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 20.6 p -133.64 115.28 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 15.9 m -118.73 164.9 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.774 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 381' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -92.84 117.38 29.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.258 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 13.0 t -117.06 144.53 44.53 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 35.0 p -85.72 -29.85 23.59 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.87 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -121.41 69.0 0.9 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 122.92 0.488 . . . . 10.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -67.75 -33.64 80.91 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 116.028 -0.533 . . . . 10.0 114.204 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.36 -34.49 74.66 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 117.239 0.52 . . . . 10.0 111.728 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.6 -38.41 70.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.58 0.352 . . . . 10.0 111.579 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.9 -41.84 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.186 0.194 . . . . 10.0 110.927 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.03 98.4 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -69.55 -33.36 72.66 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.636 0.374 . . . . 10.0 111.715 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.87 -41.87 82.17 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.758 0.423 . . . . 10.0 112.006 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 392' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.82 -42.82 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.602 0.361 . . . . 10.0 110.811 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.13 95.38 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.95 -37.71 93.49 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 119.566 -0.574 . . . . 10.0 113.734 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -65.18 -36.28 83.71 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.587 0.693 . . . . 10.0 111.46 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 396' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.44 -36.91 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.76 -37.01 85.78 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.838 0.455 . . . . 10.0 112.003 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 38.1 mt -69.43 -37.77 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.551 0.34 . . . . 10.0 111.365 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 47.2 mt -68.48 -40.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.533 0.333 . . . . 10.0 111.293 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.87 -34.32 77.67 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.981 -0.448 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 10.4 tp -122.55 132.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.99 0.424 . . . . 10.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.59 109.17 41.78 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.498 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -94.77 10.53 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.132 2.555 . . . . 10.0 111.959 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.05 -90.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.358 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1654 ' ' THR . . . . . . . . . . . . . 14.6 t 171.8 35.6 0.0 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 110.587 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -146.5 147.46 30.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 10.0 111.58 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.69 -18.14 42.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.565 2.176 . . . . 10.0 111.928 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -60.78 -35.53 90.15 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.591 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 10.0 110.781 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.48 -46.32 90.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -50.63 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.672 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 63.7 m -59.02 -53.04 62.84 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.46 -39.21 79.3 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 25.6 m -66.29 -39.32 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.993 0.425 . . . . 10.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.73 -34.13 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.253 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.33 -49.03 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.718 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.2 77.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.12 -49.75 26.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.42 -41.95 99.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.46 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.48 -34.97 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 10.0 110.478 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 67.4 m -65.27 -42.78 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.024 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 71.8 m -68.77 -33.25 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.646 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.133 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -62.72 -40.78 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.813 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.09 -50.18 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.5 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1675 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -35.1 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.04 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.7 -34.09 72.44 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.459 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -95.71 -22.53 17.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.536 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.52 85.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.78 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 1.5 m -59.78 -32.63 70.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.152 0.501 . . . . 10.0 111.05 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 19.1 mt -83.15 -36.4 24.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.505 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.09 65.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.507 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -59.36 -52.9 63.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.625 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 8.3 p -65.47 -25.96 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 10.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.3 t -84.32 -2.64 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.682 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 63.76 28.84 14.9 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.552 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -99.67 27.72 5.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.35 132.21 41.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.181 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.08 137.79 79.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.695 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -63.11 98.41 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.733 2.289 . . . . 10.0 111.663 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1690 ' ' ARG . . . . . . . . . . . . 0.283 0.3 OUTLIER 52.64 -177.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 -50.19 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -169.13 -0.5 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.269 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 16.1 tt -79.91 145.19 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 10.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 2.0 m -78.93 166.58 22.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.537 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -59.56 -53.73 54.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.771 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -69.5 -37.28 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.84 63.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.897 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.26 -47.85 84.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.11 -49.74 76.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.077 -0.965 . . . . 10.0 110.599 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -42.01 99.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.735 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -53.17 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1702 ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.53 -45.37 88.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.64 -45.13 95.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 29.2 m -65.78 -46.33 79.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.648 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1705 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.748 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1706 ' ' VAL . . . . . . . . . . . . . 32.6 t -57.48 -44.96 85.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.79 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.3 -40.53 94.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.251 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.16 -47.52 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.264 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1709 ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.12 -46.53 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.36 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1710 ' ' SER . . . . . . . . . . . . . 4.3 p -66.34 -28.35 68.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 10.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -69.27 -39.49 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.093 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1712 ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.66 -11.64 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1713 ' ' ILE . . . . . . . . . . . . . 19.2 mt -57.73 -51.04 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.643 0.259 . . . . 10.0 111.562 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1714 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.07 -55.38 46.93 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.795 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1715 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.27 -25.26 77.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.53 2.153 . . . . 10.0 112.472 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1716 ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.5 -38.86 59.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.15 -39.81 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.459 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 39.1 t -69.08 -38.19 78.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.238 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.47 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -69.46 1.12 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -138.73 8.41 2.57 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.781 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -165.57 -59.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -73.93 86.23 1.77 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.763 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.91 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.424 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 -43.74 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.915 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -72.8 -16.93 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.879 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.97 -43.75 77.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.4 94.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.856 -0.687 . . . . 10.0 112.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 40.1 m80 -66.58 -42.54 86.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.793 0.33 . . . . 10.0 110.624 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -65.95 -43.68 87.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 79.0 t -63.18 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 51.8 m -56.44 -44.61 80.61 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.902 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.58 -43.44 98.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1734 ' ' MET . . . . . . . . . . . . . 37.7 ttm -64.37 -48.28 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.653 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.17 70.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 10.0 112.975 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.29 -12.69 61.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.97 -22.81 14.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.108 0.411 . . . . 10.0 112.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1738 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.49 -32.04 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.796 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.52 -57.3 27.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.39 -34.38 98.65 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.115 1.877 . . . . 10.0 111.608 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1741 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -43.48 84.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.887 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1742 ' ' THR . . . . . . . . . . . . . 63.4 m -60.91 -49.33 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.034 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.762 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -64.28 -46.99 81.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.757 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.27 83.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 10.0 111.209 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1746 ' ' VAL . . . . . . . . . . . . . 62.8 t -64.91 -44.87 96.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.723 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -67.88 -33.23 79.18 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.156 -0.545 . . . . 10.0 113.236 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1748 ' ' ALA . . . . . . . . . . . . . . . -70.03 -34.64 73.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.625 0.25 . . . . 10.0 110.936 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.81 74.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.933 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1750 ' ' SER . . . . . . . . . . . . . 2.2 p -88.06 -0.57 57.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 51.3 tttp -116.12 -45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.346 . . . . 10.0 111.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.4 106.99 17.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.47 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 26.2 tp -126.11 12.61 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.454 0.645 . . . . 10.0 109.757 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1754 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -32.77 70.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.526 -0.761 . . . . 10.0 112.539 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -138.09 156.58 73.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 122.287 -0.258 . . . . 10.0 111.625 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.73 -11.62 27.45 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.961 2.44 . . . . 10.0 112.105 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -63.57 -14.4 51.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.923 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -54.34 -45.38 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.393 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.1 mmt -78.96 -25.18 43.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.112 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.96 -56.39 11.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.889 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1761 ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.05 -32.23 71.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.2 -49.38 69.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.469 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1763 ' ' ASP . . . . . 0.403 ' CG ' ' HZ2' ' B' ' 318' ' ' LYS . 21.7 t70 -68.31 -39.56 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.86 -47.22 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.158 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 14.8 m -66.65 -36.79 83.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 28.3 tttm -61.11 -51.96 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.392 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 10.5 m -62.74 -31.75 72.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.701 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.93 -46.14 89.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.11 85.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.937 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.05 -40.57 96.22 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.024 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 15.0 m -68.41 -38.06 80.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.573 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.51 87.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.09 0.472 . . . . 10.0 110.316 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.05 -38.73 89.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.761 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -31.33 68.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.188 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1775 ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.26 -42.13 88.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.57 -35.11 79.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.437 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -63.36 -38.39 90.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.027 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -38.26 29.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.979 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.0 72.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.12 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -73.32 -8.13 54.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.377 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -107.79 -56.11 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.022 0.439 . . . . 10.0 111.427 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.36 -8.94 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -70.18 94.18 0.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.991 -0.623 . . . . 10.0 112.864 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 117.39 -43.71 1.58 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.732 -0.746 . . . . 10.0 113.456 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -134.87 110.51 11.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 117.058 0.429 . . . . 10.0 111.777 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -83.6 -6.93 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.737 2.291 . . . . 10.0 112.919 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -78.68 -50.81 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 10.0 111.328 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -76.31 -6.98 53.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.162 0.506 . . . . 10.0 110.817 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -126.61 47.86 2.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.145 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.49 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.507 -0.769 . . . . 10.0 111.338 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -29.98 68.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.052 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1792 ' ' THR . . . . . . . . . . . . . 3.5 m -66.23 -22.56 66.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.811 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -59.75 -42.91 94.29 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 121.201 0.524 . . . . 10.0 109.7 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -84.32 -30.29 25.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.601 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.61 74.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.473 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.3 -38.61 87.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.082 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.707 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.13 -11.81 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.583 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.3 5.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.314 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 14.6 p -66.51 -42.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.043 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.8 -28.22 63.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.912 0.387 . . . . 10.0 111.315 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 24.0 ttt -68.46 -29.06 67.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.165 0.507 . . . . 10.0 109.737 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1803 ' ' MET . . . . . . . . . . . . . 55.0 mtp -70.25 -47.16 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.08 74.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.516 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.96 -50.22 71.39 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.461 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -70.47 -38.36 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1807 ' ' VAL . . . . . . . . . . . . . 41.1 t -55.81 -52.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.277 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.31 -43.69 96.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.757 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.78 -44.56 93.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.0 -36.0 82.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 63.0 m -58.15 -40.81 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -43.04 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 10.0 110.586 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -35.27 78.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.528 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -46.86 71.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -38.24 85.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.972 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.16 -24.29 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.795 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -64.13 -23.84 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.43 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.21 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 3.7 m -131.43 25.61 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.662 0.268 . . . . 10.0 111.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -146.48 8.09 1.01 Allowed 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -104.96 -79.41 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 10.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.533 -1.149 . . . . 10.0 111.553 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.486 0.184 . . . . 10.0 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.76 120.62 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 10.0 110.748 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.77 143.27 46.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 58.5 tp -85.68 126.23 33.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 315' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.69 153.76 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 10.0 111.502 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 316' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -109.45 120.08 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.73 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.94 170.13 9.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 10.0 112.098 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 318' ' ' LYS . . . . . 0.403 ' HZ2' ' CG ' ' A' 1763 ' ' ASP . 55.5 pttt -148.36 151.77 35.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 21.6 ttt -124.68 144.59 50.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -67.32 99.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.58 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 144.0 -60.72 0.51 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.499 -1.04 . . . . 10.0 110.499 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -104.21 97.35 7.32 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.36 86.08 0.42 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.19 -0.914 . . . . 10.0 111.775 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 324' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -157.3 148.94 22.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.2 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 89.3 mt -91.79 131.49 37.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.894 0.378 . . . . 10.0 111.941 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 5.9 m -119.29 137.43 25.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.331 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.99 128.7 15.24 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.0 2.467 . . . . 10.0 113.26 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -136.31 164.84 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.408 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.15 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 10.0 110.995 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -102.97 117.83 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.87 103.5 2.76 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.043 -0.599 . . . . 10.0 111.745 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.57 124.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 10.0 110.951 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 48.4 p -116.91 -167.17 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 12.19 30.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 10.0 111.051 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.41 -52.63 0.6 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.52 142.0 45.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 33.7 t -94.62 108.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.755 -1.202 . . . . 10.0 107.755 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -95.98 127.74 42.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -88.34 100.19 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' VAL . . . . . . . . . . . . . 13.7 t -102.08 132.61 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.338 0.59 . . . . 10.0 112.044 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.69 145.43 31.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.951 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -91.68 -18.74 23.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.729 0.3 . . . . 10.0 111.422 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -79.54 -57.86 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.149 0.499 . . . . 10.0 111.242 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.97 -12.21 33.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.478 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp 57.41 52.09 9.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.198 0.523 . . . . 10.0 111.323 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -133.71 153.33 51.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.702 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.15 113.12 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 41.2 mt -72.75 -45.49 56.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.05 151.18 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.631 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -123.21 154.02 39.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 10.0 110.952 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -116.24 136.91 52.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.652 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 142.0 47.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.55 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.44 -48.7 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 10.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 39.7 0.35 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.192 0.52 . . . . 10.0 111.73 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.86 -13.26 2.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.486 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 33.5 mt -69.28 134.32 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -102.91 -57.04 2.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.049 0.452 . . . . 10.0 111.336 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 358' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -152.34 163.31 39.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.937 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.19 144.18 33.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.082 0.468 . . . . 10.0 111.587 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -109.48 102.51 11.38 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -92.8 94.91 9.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.363 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 43.5 m -98.86 167.25 11.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.0 -37.91 86.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.577 2.184 . . . . 10.0 113.107 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -120.48 -55.72 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 3.5 m -77.66 138.49 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.304 0.573 . . . . 10.0 112.53 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -124.21 102.01 7.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.788 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 367' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.05 122.68 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.803 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -108.45 129.63 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 10.0 111.091 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -120.37 129.02 53.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.7 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -118.95 169.22 10.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.357 . . . . 10.0 111.33 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -82.25 -137.8 2.69 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.546 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.8 87.63 5.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 10.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -167.5 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -92.36 147.03 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -54.79 6.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.481 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 376' ' ' GLY . . . . . . . . . . . . . . . -120.14 -126.92 3.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.483 -0.865 . . . . 10.0 112.719 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 377' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.43 162.43 22.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.68 0.276 . . . . 10.0 111.365 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -139.48 101.37 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.827 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 124.34 44.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.388 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.63 170.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.219 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 381' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -106.61 131.71 53.45 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 14.2 t -154.13 141.76 19.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.521 . . . . 10.0 110.657 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -25.83 59.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.586 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.1 41.54 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -60.17 -40.17 96.89 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.314 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -39.95 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 10.0 111.238 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.626 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.27 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.64 -38.56 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.42 -46.36 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.319 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 392' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.63 -46.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.413 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.99 73.48 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.356 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -69.04 -35.0 77.49 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.577 . . . . 10.0 112.09 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.31 -30.99 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 10.0 111.044 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 396' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.89 -31.63 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 10.0 109.716 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.04 -28.46 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.858 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.04 -38.51 72.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.092 0.472 . . . . 10.0 109.828 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 32.6 mt -69.83 -37.08 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.92 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.96 52.75 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.5 tptt . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.669 -0.681 . . . . 10.0 110.441 -179.511 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.143 -0.383 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 10.5 tp -111.21 148.39 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 122.598 -0.354 . . . . 10.0 110.082 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.93 98.21 14.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 110.27 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -90.48 -0.52 5.28 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.661 2.241 . . . . 10.0 111.714 177.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -102.09 -90.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.047 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 12.8 t 171.2 29.19 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.16 159.8 31.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 119.766 -0.774 . . . . 10.0 112.248 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.93 144.93 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.484 2.123 . . . . 10.0 110.313 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.44 -39.73 2.8 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.212 -0.994 . . . . 10.0 111.674 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -51.54 -43.33 62.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.074 0.464 . . . . 10.0 110.023 173.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.13 -56.35 19.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -59.04 -38.33 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.989 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 81.3 m -67.66 -42.74 81.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.963 -177.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.93 -34.77 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 10.0 110.731 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.1 p -68.7 -36.79 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.025 0.44 . . . . 10.0 110.601 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.22 65.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.531 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 11.8 mt -55.95 -39.8 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.777 175.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.49 94.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.111 0.482 . . . . 10.0 111.274 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.08 -46.53 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.275 0.559 . . . . 10.0 110.723 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.0 -37.45 87.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.331 -178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 23.4 t-20 -60.89 -39.12 88.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.415 0.626 . . . . 10.0 109.488 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.9 t -64.21 -38.18 90.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.055 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 1.8 p -80.36 -21.32 42.51 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.47 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -43.77 75.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.975 0.417 . . . . 10.0 110.254 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.51 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.47 -48.03 82.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.369 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1675 ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.03 -28.1 66.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.462 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 30.2 t70 -69.51 -40.37 77.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.109 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -86.41 -15.31 40.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -80.2 -16.78 54.05 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.129 179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 39.8 t -67.34 -37.06 82.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.733 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 1.2 tp -98.34 -14.77 20.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.762 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -76.02 -44.29 40.08 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.19 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 9.5 p -81.9 -17.18 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.4 t -103.28 14.85 30.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.084 0.469 . . . . 10.0 110.441 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 60.41 29.78 19.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.873 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -103.34 15.06 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.822 0.344 . . . . 10.0 110.956 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.24 140.46 49.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.762 -0.458 . . . . 10.0 109.762 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -85.65 140.0 35.65 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.924 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.28 110.7 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.153 2.568 . . . . 10.0 112.887 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1690 ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? 41.03 -172.19 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.112 1.365 . . . . 10.0 114.678 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.35 -47.76 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.27 176.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -175.54 69.17 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.4 tt -164.71 156.45 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.631 0.215 . . . . 10.0 110.698 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 32.5 p -88.03 -175.28 5.03 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.667 0.27 . . . . 10.0 111.256 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -77.14 -50.4 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -25.6 60.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.958 0.409 . . . . 10.0 110.416 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.96 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.394 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 66.0 mt -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 173.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -55.43 -39.05 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.978 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -65.83 -58.54 5.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 10.0 111.06 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -59.4 -49.17 78.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.67 -174.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1702 ' ' MET . . . . . . . . . . . . . 70.0 mtp -66.69 -50.55 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.099 -174.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.736 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 45.4 m -59.8 -41.73 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 10.0 110.628 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1705 ' ' ALA . . . . . . . . . . . . . . . -65.78 -50.31 65.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.958 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1706 ' ' VAL . . . . . . . . . . . . . 96.3 t -54.23 -47.79 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.689 -176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.09 -49.73 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.442 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.32 -27.09 65.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.596 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1709 ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.36 -57.89 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 172.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1710 ' ' SER . . . . . . . . . . . . . 42.1 t -53.19 -40.25 64.27 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.325 0.583 . . . . 10.0 110.253 178.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.31 -41.17 65.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.762 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1712 ' ' LEU . . . . . . . . . . . . . 1.2 pp -91.91 -17.48 25.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.821 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1713 ' ' ILE . . . . . . . . . . . . . 63.9 mt -60.66 -44.66 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.567 0.222 . . . . 10.0 110.731 -177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1714 ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -62.38 -54.33 49.9 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.609 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1715 ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.24 -26.81 83.52 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.141 1.894 . . . . 10.0 112.836 176.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1716 ' ' LEU . . . . . . . . . . . . . 6.7 tt -73.14 -41.64 63.73 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.429 -0.509 . . . . 10.0 109.734 177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.14 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.075 0.464 . . . . 10.0 110.345 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.74 -36.61 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.593 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -74.76 -43.73 53.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.626 -177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.39 70.97 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.513 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -86.07 -14.31 44.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.54 0.571 . . . . 10.0 112.54 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.61 -53.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.465 0.913 . . . . 10.0 113.465 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -71.33 85.56 0.8 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.474 -0.141 . . . . 10.0 111.074 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -68.0 -47.71 67.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 10.0 111.447 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.9 p -73.51 -18.23 61.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.461 . . . . 10.0 111.113 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -96.2 -31.98 12.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.86 -176.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 26.1 tp -51.66 -49.53 62.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.119 -0.946 . . . . 10.0 111.798 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.96 56.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.305 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.97 -37.2 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.773 0.32 . . . . 10.0 110.809 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 13.7 mmtp -69.49 -42.87 74.22 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 96.4 t -59.66 -44.4 93.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.958 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.7 m -53.51 -43.71 68.52 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.473 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -69.65 -46.63 65.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.401 -178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1734 ' ' MET . . . . . . . . . . . . . 57.0 ttm -63.19 -43.43 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.762 0.315 . . . . 10.0 111.445 -174.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.108 0.48 . . . . 10.0 111.305 -173.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -69.88 -35.59 74.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.644 -174.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -71.16 -28.46 64.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.502 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1738 ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -72.46 -23.24 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.12 -58.09 17.81 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.54 -0.464 . . . . 10.0 111.41 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -59.54 -34.05 96.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.69 1.593 . . . . 10.0 112.176 175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1741 ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.17 -48.07 81.44 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.679 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1742 ' ' THR . . . . . . . . . . . . . 79.7 m -56.2 -55.53 32.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.236 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 74.1 mt -55.66 -48.58 74.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.065 0.459 . . . . 10.0 111.154 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.09 96.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.113 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.79 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.889 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1746 ' ' VAL . . . . . . . . . . . . . 43.3 t -63.81 -34.42 67.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.215 0.531 . . . . 10.0 109.596 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -59.72 -56.03 27.15 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.971 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1748 ' ' ALA . . . . . . . . . . . . . . . -57.43 -36.42 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.568 0.223 . . . . 10.0 111.105 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -53.33 -57.85 9.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 10.0 111.726 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 35.9 t -82.5 -22.79 34.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.638 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.6 tttp -91.44 -40.91 11.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.614 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 3.9 m -83.51 138.12 33.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 110.659 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 17.3 tp -157.45 27.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 10.0 110.604 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 24.5 m -88.92 -56.91 3.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.87 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 57.0 m80 -114.31 163.58 18.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.319 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.05 -3.16 9.22 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.276 2.651 . . . . 10.0 112.806 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.96 -6.55 46.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.071 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.45 -46.31 90.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 26.5 mmt -88.59 -12.12 43.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.498 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.74 25.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.07 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1761 ' ' LEU . . . . . . . . . . . . . 4.2 pp -72.77 -27.37 61.97 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.225 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.35 -32.97 74.68 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.441 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.48 -31.25 24.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.502 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -68.33 -22.49 64.69 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.718 179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 40.4 m -94.51 -29.61 14.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.677 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 58.0 tttm -68.0 -48.0 66.98 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.505 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 4.1 m -76.77 -15.51 59.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 53.4 tp -76.81 -37.07 56.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.247 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -70.96 -37.84 72.79 Favored 'General case' 0 C--N 1.337 0.036 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.408 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 68.7 m -69.95 -27.0 64.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.847 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -78.37 -25.28 46.24 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.718 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 38.7 tp -73.14 -45.37 57.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.61 -25.19 65.64 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1775 ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.06 -53.45 30.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.137 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.44 -16.88 64.45 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.641 0.258 . . . . 10.0 111.12 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -70.31 -53.69 15.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 111.198 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.5 p -70.9 -33.36 70.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.113 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.7 -30.74 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.15 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.89 -37.53 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.284 0.564 . . . . 10.0 110.212 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -73.25 -53.82 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.431 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.45 55.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.588 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.02 0.03 OUTLIER Glycine 0 C--N 1.33 0.225 0 O-C-N 123.963 0.789 . . . . 10.0 114.695 -168.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 76.74 1.51 72.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.286 -0.457 . . . . 10.0 112.97 175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.5 t30 -139.81 95.43 8.74 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 10.0 111.123 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.23 -15.49 31.71 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.813 2.342 . . . . 10.0 112.427 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1787 ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' 1789 ' ' ALA . 0.9 OUTLIER -73.57 -61.43 1.83 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -172.171 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.6 25.03 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.29 0.567 . . . . 10.0 110.717 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1789 ' ' ALA . . . . . 0.428 ' H ' ' C ' ' A' 1787 ' ' LYS . . . -145.24 35.16 1.09 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.458 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.78 -49.94 67.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.737 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -82.25 -24.11 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 10.0 110.183 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1792 ' ' THR . . . . . . . . . . . . . 22.0 m -63.94 -27.84 69.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.833 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -56.97 -37.1 71.12 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.546 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -85.13 -28.17 25.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.392 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -73.83 -28.54 61.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.501 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.6 -30.0 67.65 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.77 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -77.04 -19.79 56.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.696 179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -87.68 -22.12 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.538 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -86.67 -32.65 20.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.184 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 12.0 p -75.36 -37.22 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.974 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -76.39 -20.29 57.3 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.867 0.365 . . . . 10.0 111.084 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 18.8 ttt -79.7 -29.23 40.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.973 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1803 ' ' MET . . . . . . . . . . . . . 75.0 mtp -73.77 -49.48 25.22 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.339 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 10.9 t -64.23 -23.0 67.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.847 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.84 -37.85 87.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.647 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -89.17 -19.93 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.336 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1807 ' ' VAL . . . . . . . . . . . . . 42.3 t -69.87 -51.24 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.806 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -66.37 -31.1 71.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 10.7 t0 -75.52 -28.61 59.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.526 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 27.0 tp -75.48 -42.91 51.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.838 0.352 . . . . 10.0 110.433 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 19.2 m -57.98 -30.66 66.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.778 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 25.5 m -62.96 -38.16 89.95 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.722 179.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 7.7 m -78.97 -33.79 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.57 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.52 -49.07 76.79 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.117 0.484 . . . . 10.0 111.686 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -37.18 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.231 -175.031 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -72.47 -32.81 66.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -56.78 -17.31 8.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.26 -177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.72 -49.71 57.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.042 0.449 . . . . 10.0 110.234 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.2 m -106.5 -17.0 14.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.365 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -84.9 -16.17 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.654 -177.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.2 -30.12 2.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.456 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.638 -1.09 . . . . 10.0 111.894 177.198 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.32 138.22 46.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.659 0.384 . . . . 10.0 110.973 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -124.84 144.9 50.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.987 0.515 . . . . 10.0 110.688 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 13.6 tp -87.86 115.29 25.21 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.182 0.301 . . . . 10.0 110.318 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 315' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.05 162.16 36.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 123.973 0.795 . . . . 10.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 316' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -123.39 139.99 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.782 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -121.19 139.5 53.28 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.39 139.27 42.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 25.3 ttt -104.18 144.31 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.472 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -64.09 139.29 58.75 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.97 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 110.34 -43.09 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.488 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -126.51 179.91 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 10.0 110.437 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -140.51 93.1 2.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.514 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 324' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -153.83 138.82 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.005 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 55.8 mt -86.28 123.33 31.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 9.5 m -124.3 147.07 53.81 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.055 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 138.72 66.09 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.811 2.341 . . . . 10.0 113.215 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -147.08 147.03 30.19 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.75 0.42 . . . . 10.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 58.5 mt -101.43 135.7 42.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.596 0.358 . . . . 10.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 22.4 tp -125.1 117.66 24.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.542 0.337 . . . . 10.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.77 120.33 6.81 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-O 119.659 -0.523 . . . . 10.0 112.021 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.23 133.42 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 117.085 0.442 . . . . 10.0 110.623 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 75.7 p -126.16 175.66 7.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.862 0.465 . . . . 10.0 110.111 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -74.16 -10.36 59.54 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -112.35 -41.5 3.88 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 75.7 m -150.88 161.35 42.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 19.2 t -107.52 140.06 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.18 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -145.24 151.73 38.85 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -108.1 129.5 55.15 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.587 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' VAL . . . . . . . . . . . . . 42.1 t -112.73 138.6 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.941 0.496 . . . . 10.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.39 131.71 35.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.428 0.291 . . . . 10.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.93 -31.54 72.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.45 -51.04 7.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.248 0.833 . . . . 10.0 113.248 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 47.2 p -87.05 -19.92 27.92 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 61.54 43.6 10.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.249 0.62 . . . . 10.0 111.791 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.65 160.31 38.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 10.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 23.4 t -85.62 132.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.498 0.319 . . . . 10.0 110.436 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.5 -57.49 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 122.526 0.33 . . . . 10.0 110.233 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -143.94 149.97 37.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.739 0.415 . . . . 10.0 110.682 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -137.71 156.16 48.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.073 0.398 . . . . 10.0 112.073 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' TRP . . . . . . . . . . . . . 21.8 m-90 -130.03 152.43 49.5 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.286 0.634 . . . . 10.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 68.0 m -82.46 150.38 27.07 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 122.907 0.129 . . . . 10.0 110.83 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.33 -35.79 76.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 40.4 p -79.44 -12.55 59.89 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -13.71 53.32 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.455 0.57 . . . . 10.0 112.498 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.86 134.4 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 117.976 0.353 . . . . 10.0 110.312 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.65 -62.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.39 0.431 . . . . 10.0 111.482 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -135.57 165.57 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.252 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 43.3 p90 -153.36 144.93 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.309 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -107.87 121.81 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -97.89 94.81 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.779 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 68.9 m -102.64 157.47 33.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.94 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.77 -31.1 94.39 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.785 2.323 . . . . 10.0 113.258 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -119.77 -42.53 2.62 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 8.2 t -98.85 168.66 9.98 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -151.14 102.76 2.97 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.075 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' THR . . . . . . . . . . . . . 7.4 m -86.18 121.39 28.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.592 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.27 127.23 53.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.049 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -111.82 126.61 55.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.253 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -111.28 150.49 29.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -79.7 -103.25 0.26 Allowed Glycine 0 C--N 1.35 1.32 0 CA-C-O 119.821 -0.433 . . . . 10.0 112.988 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.77 70.1 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.94 0.4 . . . . 10.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -152.02 -55.54 0.13 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.107 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -105.14 130.86 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.53 0.519 . . . . 10.0 111.308 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -86.73 -36.65 18.52 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.741 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 376' ' ' GLY . . . . . . . . . . . . . . . -86.07 -155.13 25.5 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.622 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 377' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -123.47 149.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -129.81 104.63 7.51 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.244 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 20.6 p -133.64 115.28 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 15.9 m -118.73 164.9 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.774 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 381' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -92.84 117.38 29.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.258 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 13.0 t -117.06 144.53 44.53 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 35.0 p -85.72 -29.85 23.59 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.87 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -121.41 69.0 0.9 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 122.92 0.488 . . . . 10.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -67.75 -33.64 80.91 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 116.028 -0.533 . . . . 10.0 114.204 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.36 -34.49 74.66 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 117.239 0.52 . . . . 10.0 111.728 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.6 -38.41 70.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.58 0.352 . . . . 10.0 111.579 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.9 -41.84 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.186 0.194 . . . . 10.0 110.927 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.03 98.4 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -69.55 -33.36 72.66 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.636 0.374 . . . . 10.0 111.715 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.87 -41.87 82.17 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.758 0.423 . . . . 10.0 112.006 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 392' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.82 -42.82 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.602 0.361 . . . . 10.0 110.811 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.13 95.38 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.95 -37.71 93.49 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 119.566 -0.574 . . . . 10.0 113.734 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -65.18 -36.28 83.71 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.587 0.693 . . . . 10.0 111.46 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 396' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.44 -36.91 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.76 -37.01 85.78 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.838 0.455 . . . . 10.0 112.003 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 38.1 mt -69.43 -37.77 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.551 0.34 . . . . 10.0 111.365 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 47.2 mt -68.48 -40.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.533 0.333 . . . . 10.0 111.293 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.87 -34.32 77.67 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.981 -0.448 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1650 ' ' ILE . . . . . . . . . . . . . 10.4 tp -122.55 132.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.99 0.424 . . . . 10.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.59 109.17 41.78 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.498 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1652 ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -94.77 10.53 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.132 2.555 . . . . 10.0 111.959 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1653 ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -113.05 -90.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.358 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1654 ' ' THR . . . . . . . . . . . . . 14.6 t 171.8 35.6 0.0 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 110.587 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -146.5 147.46 30.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 10.0 111.58 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.69 -18.14 42.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.565 2.176 . . . . 10.0 111.928 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -60.78 -35.53 90.15 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.591 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1658 ' ' GLN . . . . . . . . . . . . . 15.6 mp0 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 10.0 110.781 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.48 -46.32 90.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -50.63 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.672 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1661 ' ' CYS . . . . . . . . . . . . . 63.7 m -59.02 -53.04 62.84 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -58.46 -39.21 79.3 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 25.6 m -66.29 -39.32 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.993 0.425 . . . . 10.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.73 -34.13 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.253 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1665 ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.33 -49.03 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.718 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.2 77.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.12 -49.75 26.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.42 -41.95 99.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.46 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1669 ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.48 -34.97 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 10.0 110.478 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 67.4 m -65.27 -42.78 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.024 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 71.8 m -68.77 -33.25 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.646 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1672 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.133 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -62.72 -40.78 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.813 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.09 -50.18 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.5 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1675 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -35.1 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.04 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1676 ' ' ASP . . . . . . . . . . . . . 31.2 t70 -59.7 -34.09 72.44 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.459 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -95.71 -22.53 17.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.536 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.52 85.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.78 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 1.5 m -59.78 -32.63 70.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.152 0.501 . . . . 10.0 111.05 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 19.1 mt -83.15 -36.4 24.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.505 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.09 65.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.507 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -59.36 -52.9 63.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.625 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 8.3 p -65.47 -25.96 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 10.0 110.912 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.3 t -84.32 -2.64 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.682 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 63.76 28.84 14.9 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.552 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -99.67 27.72 5.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1687 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.35 132.21 41.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.181 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1688 ' ' ALA . . . . . . . . . . . . . . . -73.08 137.79 79.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.695 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -63.11 98.41 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.733 2.289 . . . . 10.0 111.663 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1690 ' ' ARG . . . . . . . . . . . . 0.283 0.3 OUTLIER 52.64 -177.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 -50.19 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1692 ' ' GLY . . . . . . . . . . . . . . . -169.13 -0.5 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.269 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 16.1 tt -79.91 145.19 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 10.0 110.98 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 2.0 m -78.93 166.58 22.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.537 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -59.56 -53.73 54.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.771 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -69.5 -37.28 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.84 63.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.897 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1698 ' ' LEU . . . . . . . . . . . . . 11.2 mt -61.26 -47.85 84.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.11 -49.74 76.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.077 -0.965 . . . . 10.0 110.599 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -42.01 99.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.735 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -53.17 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1702 ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.53 -45.37 88.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.64 -45.13 95.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 29.2 m -65.78 -46.33 79.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.648 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1705 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.748 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1706 ' ' VAL . . . . . . . . . . . . . 32.6 t -57.48 -44.96 85.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.79 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.3 -40.53 94.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.251 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.16 -47.52 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.264 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1709 ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.12 -46.53 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.36 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1710 ' ' SER . . . . . . . . . . . . . 4.3 p -66.34 -28.35 68.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 10.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -69.27 -39.49 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.093 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1712 ' ' LEU . . . . . . . . . . . . . 3.5 pp -84.66 -11.64 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1713 ' ' ILE . . . . . . . . . . . . . 19.2 mt -57.73 -51.04 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.643 0.259 . . . . 10.0 111.562 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1714 ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -59.07 -55.38 46.93 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.795 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1715 ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -59.27 -25.26 77.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.53 2.153 . . . . 10.0 112.472 178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1716 ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.5 -38.86 59.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -59.15 -39.81 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.459 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 39.1 t -69.08 -38.19 78.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.238 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1719 ' ' ALA . . . . . . . . . . . . . . . -69.58 -41.47 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.879 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -69.46 1.12 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 7.8 ptp180 -138.73 8.41 2.57 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.781 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -165.57 -59.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1723 ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -73.93 86.23 1.77 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.763 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1724 ' ' ALA . . . . . . . . . . . . . . . -69.38 -44.91 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.424 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 -43.74 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.915 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1726 ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -72.8 -16.93 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.879 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.97 -43.75 77.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.4 94.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.856 -0.687 . . . . 10.0 112.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 40.1 m80 -66.58 -42.54 86.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.793 0.33 . . . . 10.0 110.624 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1730 ' ' LYS . . . . . . . . . . . . . 16.0 mmtp -65.95 -43.68 87.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 79.0 t -63.18 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 51.8 m -56.44 -44.61 80.61 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.902 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1733 ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.58 -43.44 98.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.967 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1734 ' ' MET . . . . . . . . . . . . . 37.7 ttm -64.37 -48.28 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.653 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.17 70.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 10.0 112.975 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.29 -12.69 61.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.97 -22.81 14.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.108 0.411 . . . . 10.0 112.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1738 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.49 -32.04 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.796 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1739 ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -60.52 -57.3 27.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1740 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.39 -34.38 98.65 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.115 1.877 . . . . 10.0 111.608 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1741 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -43.48 84.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.887 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1742 ' ' THR . . . . . . . . . . . . . 63.4 m -60.91 -49.33 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.034 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.762 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -64.28 -46.99 81.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.757 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -58.15 -47.27 83.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 10.0 111.209 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1746 ' ' VAL . . . . . . . . . . . . . 62.8 t -64.91 -44.87 96.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.723 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -67.88 -33.23 79.18 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.156 -0.545 . . . . 10.0 113.236 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1748 ' ' ALA . . . . . . . . . . . . . . . -70.03 -34.64 73.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.625 0.25 . . . . 10.0 110.936 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.81 74.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.933 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1750 ' ' SER . . . . . . . . . . . . . 2.2 p -88.06 -0.57 57.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 51.3 tttp -116.12 -45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.346 . . . . 10.0 111.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.4 106.99 17.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.47 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 26.2 tp -126.11 12.61 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.454 0.645 . . . . 10.0 109.757 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -32.77 70.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.526 -0.761 . . . . 10.0 112.539 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -138.09 156.58 73.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 122.287 -0.258 . . . . 10.0 111.625 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.73 -11.62 27.45 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.961 2.44 . . . . 10.0 112.105 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -63.57 -14.4 51.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.923 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -54.34 -45.38 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.393 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.1 mmt -78.96 -25.18 43.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.112 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -65.96 -56.39 11.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.889 179.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1761 ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.05 -32.23 71.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1762 ' ' LEU . . . . . . . . . . . . . 27.6 tp -65.2 -49.38 69.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.469 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1763 ' ' ASP . . . . . 0.403 ' CG ' ' HZ2' ' B' ' 318' ' ' LYS . 21.7 t70 -68.31 -39.56 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.895 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.86 -47.22 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.158 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 14.8 m -66.65 -36.79 83.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1766 ' ' LYS . . . . . . . . . . . . . 28.3 tttm -61.11 -51.96 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.392 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 10.5 m -62.74 -31.75 72.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.701 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.93 -46.14 89.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.11 85.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.937 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1770 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.05 -40.57 96.22 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.024 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 15.0 m -68.41 -38.06 80.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.573 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.51 87.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.09 0.472 . . . . 10.0 110.316 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 29.2 tp -62.05 -38.73 89.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.761 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -31.33 68.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.188 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1775 ' ' LEU . . . . . . . . . . . . . 2.0 tm? -66.26 -42.13 88.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.57 -35.11 79.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.437 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -63.36 -38.39 90.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.027 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -38.26 29.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.979 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.0 72.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.12 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -73.32 -8.13 54.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.377 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1781 ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -107.79 -56.11 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.022 0.439 . . . . 10.0 111.427 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.36 -8.94 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -70.18 94.18 0.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.991 -0.623 . . . . 10.0 112.864 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1784 ' ' GLY . . . . . . . . . . . . . . . 117.39 -43.71 1.58 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.732 -0.746 . . . . 10.0 113.456 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -134.87 110.51 11.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 117.058 0.429 . . . . 10.0 111.777 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -83.6 -6.93 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.737 2.291 . . . . 10.0 112.919 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -78.68 -50.81 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 10.0 111.328 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -76.31 -6.98 53.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.162 0.506 . . . . 10.0 110.817 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1789 ' ' ALA . . . . . . . . . . . . . . . -126.61 47.86 2.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.145 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.49 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.507 -0.769 . . . . 10.0 111.338 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -29.98 68.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.052 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1792 ' ' THR . . . . . . . . . . . . . 3.5 m -66.23 -22.56 66.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.811 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 40.6 mm-40 -59.75 -42.91 94.29 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 121.201 0.524 . . . . 10.0 109.7 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -84.32 -30.29 25.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.601 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.61 74.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.473 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.3 -38.61 87.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.082 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1797 ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.707 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.13 -11.81 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.583 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.3 5.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.314 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1800 ' ' VAL . . . . . . . . . . . . . 14.6 p -66.51 -42.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.043 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.8 -28.22 63.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.912 0.387 . . . . 10.0 111.315 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 24.0 ttt -68.46 -29.06 67.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.165 0.507 . . . . 10.0 109.737 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1803 ' ' MET . . . . . . . . . . . . . 55.0 mtp -70.25 -47.16 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.08 74.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.516 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.96 -50.22 71.39 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.461 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -70.47 -38.36 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1807 ' ' VAL . . . . . . . . . . . . . 41.1 t -55.81 -52.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.277 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.31 -43.69 96.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.757 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.78 -44.56 93.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.0 -36.0 82.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 63.0 m -58.15 -40.81 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -43.04 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 10.0 110.586 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -35.27 78.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.528 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -46.86 71.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -38.24 85.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.972 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.16 -24.29 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.795 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -64.13 -23.84 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.43 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.21 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 3.7 m -131.43 25.61 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.662 0.268 . . . . 10.0 111.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -146.48 8.09 1.01 Allowed 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -104.96 -79.41 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 10.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.533 -1.149 . . . . 10.0 111.553 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.486 0.184 . . . . 10.0 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.76 120.62 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 10.0 110.748 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.77 143.27 46.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 58.5 tp -85.68 126.23 33.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 315' ' ' VAL . . . . . . . . . . . . . 16.4 m -132.69 153.76 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 10.0 111.502 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 316' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -109.45 120.08 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.73 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -94.94 170.13 9.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 10.0 112.098 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 318' ' ' LYS . . . . . 0.403 ' HZ2' ' CG ' ' A' 1763 ' ' ASP . 55.5 pttt -148.36 151.77 35.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 21.6 ttt -124.68 144.59 50.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -67.32 99.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.58 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 144.0 -60.72 0.51 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.499 -1.04 . . . . 10.0 110.499 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -104.21 97.35 7.32 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 323' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.36 86.08 0.42 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.19 -0.914 . . . . 10.0 111.775 -178.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 324' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -157.3 148.94 22.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.2 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 325' ' ' LEU . . . . . . . . . . . . . 89.3 mt -91.79 131.49 37.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.894 0.378 . . . . 10.0 111.941 -178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 5.9 m -119.29 137.43 25.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.331 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.99 128.7 15.24 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.0 2.467 . . . . 10.0 113.26 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' ARG . . . . . . . . . . . . . 16.0 tpp180 -136.31 164.84 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.408 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 77.8 mt -112.15 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 10.0 110.995 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -102.97 117.83 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.87 103.5 2.76 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.043 -0.599 . . . . 10.0 111.745 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.57 124.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 10.0 110.951 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 48.4 p -116.91 -167.17 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 12.19 30.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 10.0 111.051 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.41 -52.63 0.6 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.52 142.0 45.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 33.7 t -94.62 108.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.755 -1.202 . . . . 10.0 107.755 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -95.98 127.74 42.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' ARG . . . . . . . . . . . . . 37.0 ttt180 -88.34 100.19 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' VAL . . . . . . . . . . . . . 13.7 t -102.08 132.61 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.338 0.59 . . . . 10.0 112.044 -177.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -80.69 145.43 31.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.951 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -91.68 -18.74 23.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.729 0.3 . . . . 10.0 111.422 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -79.54 -57.86 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.149 0.499 . . . . 10.0 111.242 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.97 -12.21 33.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.478 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp 57.41 52.09 9.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.198 0.523 . . . . 10.0 111.323 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -133.71 153.33 51.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.702 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.15 113.12 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 41.2 mt -72.75 -45.49 56.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.05 151.18 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.631 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -123.21 154.02 39.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 10.0 110.952 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -116.24 136.91 52.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.652 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 142.0 47.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.55 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.44 -48.7 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 10.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 39.7 0.35 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.192 0.52 . . . . 10.0 111.73 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.86 -13.26 2.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.486 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 33.5 mt -69.28 134.32 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -102.91 -57.04 2.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.049 0.452 . . . . 10.0 111.336 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -152.34 163.31 39.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.937 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.19 144.18 33.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.082 0.468 . . . . 10.0 111.587 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -109.48 102.51 11.38 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -92.8 94.91 9.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.363 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' SER . . . . . . . . . . . . . 43.5 m -98.86 167.25 11.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.0 -37.91 86.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.577 2.184 . . . . 10.0 113.107 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -120.48 -55.72 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 3.5 m -77.66 138.49 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.304 0.573 . . . . 10.0 112.53 -178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -124.21 102.01 7.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.788 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.05 122.68 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.803 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -108.45 129.63 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 10.0 111.091 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -120.37 129.02 53.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.7 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -118.95 169.22 10.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.357 . . . . 10.0 111.33 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -82.25 -137.8 2.69 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.546 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.8 87.63 5.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 10.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -167.5 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -92.36 147.03 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -54.79 6.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.481 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 376' ' ' GLY . . . . . . . . . . . . . . . -120.14 -126.92 3.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.483 -0.865 . . . . 10.0 112.719 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 377' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -123.43 162.43 22.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.68 0.276 . . . . 10.0 111.365 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -139.48 101.37 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.827 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 124.34 44.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.388 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.63 170.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.219 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 381' ' ' GLN . . . . . . . . . . . . . 37.0 tt0 -106.61 131.71 53.45 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 14.2 t -154.13 141.76 19.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.521 . . . . 10.0 110.657 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -25.83 59.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.586 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -106.1 41.54 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -60.17 -40.17 96.89 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.314 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -39.95 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 10.0 111.238 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.626 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.27 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.64 -38.56 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.42 -46.36 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.319 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 392' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.63 -46.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.413 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.99 73.48 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.356 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -69.04 -35.0 77.49 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.577 . . . . 10.0 112.09 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.31 -30.99 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 10.0 111.044 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 396' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.89 -31.63 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 10.0 109.716 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.04 -28.46 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.858 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.04 -38.51 72.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.092 0.472 . . . . 10.0 109.828 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 32.6 mt -69.83 -37.08 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.92 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.96 52.75 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.5 tptt . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.669 -0.681 . . . . 10.0 110.441 -179.511 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.143 -0.383 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1650 ' ' ILE . . . . . 0.464 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.5 tp -111.21 148.39 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 122.598 -0.354 . . . . 10.0 110.082 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.93 98.21 14.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 110.27 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1652 ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' 1650 ' ' ILE . 92.7 Cg_endo -90.48 -0.52 5.28 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.661 2.241 . . . . 10.0 111.714 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1653 ' ' PHE . . . . . 0.698 ' CZ ' ' HA ' ' A' 1781 ' ' GLU . 95.9 m-85 -102.09 -90.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.047 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1654 ' ' THR . . . . . 0.602 ' HB ' ' O ' ' A' 1653 ' ' PHE . 12.8 t 171.2 29.19 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -175.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.16 159.8 31.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 119.766 -0.774 . . . . 10.0 112.248 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.93 144.93 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.484 2.123 . . . . 10.0 110.313 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.44 -39.73 2.8 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.212 -0.994 . . . . 10.0 111.674 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1658 ' ' GLN . . . . . 0.476 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.5 mp0 -51.54 -43.33 62.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.074 0.464 . . . . 10.0 110.023 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.13 -56.35 19.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -59.04 -38.33 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.989 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.437 ' O ' HG13 ' A' 1665 ' ' ILE . 81.3 m -67.66 -42.74 81.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.963 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.93 -34.77 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 10.0 110.731 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.1 p -68.7 -36.79 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.025 0.44 . . . . 10.0 110.601 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.22 65.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.531 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' 1661 ' ' CYS . 11.8 mt -55.95 -39.8 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.777 175.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.49 94.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.111 0.482 . . . . 10.0 111.274 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.08 -46.53 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.275 0.559 . . . . 10.0 110.723 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1668 ' ' LEU . . . . . 0.538 HD12 ' SG ' ' A' 1671 ' ' CYS . 21.1 tp -64.0 -37.45 87.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.331 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.4 t-20 -60.89 -39.12 88.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.415 0.626 . . . . 10.0 109.488 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.9 t -64.21 -38.18 90.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.055 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1671 ' ' CYS . . . . . 0.538 ' SG ' HD12 ' A' 1668 ' ' LEU . 1.8 p -80.36 -21.32 42.51 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.47 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' 1672 ' ' LEU . 0.2 OUTLIER -68.57 -43.77 75.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.975 0.417 . . . . 10.0 110.254 174.638 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.51 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.47 -48.03 82.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.369 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1675 ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.03 -28.1 66.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.462 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1676 ' ' ASP . . . . . 0.732 ' HA ' ' HE2' ' A' 1766 ' ' LYS . 30.2 t70 -69.51 -40.37 77.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -86.41 -15.31 40.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1678 ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' 1681 ' ' ALA . . . -80.2 -16.78 54.05 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.129 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 39.8 t -67.34 -37.06 82.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.733 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1680 ' ' LEU . . . . . 0.47 HD12 ' HD2' ' B' ' 377' ' ' TYR . 1.2 tp -98.34 -14.77 20.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.762 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1681 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 1678 ' ' ALA . . . -76.02 -44.29 40.08 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.19 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 9.5 p -81.9 -17.18 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.4 t -103.28 14.85 30.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.084 0.469 . . . . 10.0 110.441 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 60.41 29.78 19.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.873 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -103.34 15.06 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.822 0.344 . . . . 10.0 110.956 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.24 140.46 49.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.762 -0.458 . . . . 10.0 109.762 -176.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.41 ' N ' HD13 ' A' 1687 ' ' LEU . . . -85.65 140.0 35.65 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.924 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.28 110.7 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.153 2.568 . . . . 10.0 112.887 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1690 ' ' ARG . . . . . 0.965 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.4 ppt_? 41.03 -172.19 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.112 1.365 . . . . 10.0 114.678 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1691 ' ' GLU . . . . . 0.547 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.35 -47.76 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.27 176.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1692 ' ' GLY . . . . . 0.55 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.54 69.17 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.4 tt -164.71 156.45 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.631 0.215 . . . . 10.0 110.698 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1694 ' ' SER . . . . . 0.481 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.5 p -88.03 -175.28 5.03 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.667 0.27 . . . . 10.0 111.256 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -77.14 -50.4 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -25.6 60.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.958 0.409 . . . . 10.0 110.416 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.96 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.394 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.0 mt -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 173.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -55.43 -39.05 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.978 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -65.83 -58.54 5.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 10.0 111.06 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1701 ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.17 78.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.67 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1702 ' ' MET . . . . . 0.578 ' O ' HG23 ' A' 1706 ' ' VAL . 70.0 mtp -66.69 -50.55 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.099 -174.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.736 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 45.4 m -59.8 -41.73 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 10.0 110.628 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1705 ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.78 -50.31 65.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.958 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1706 ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' 1702 ' ' MET . 96.3 t -54.23 -47.79 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.689 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -55.09 -49.73 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.442 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.32 -27.09 65.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.596 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.716 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.36 -57.89 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 172.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.541 ' HA ' HD12 ' A' 1713 ' ' ILE . 42.1 t -53.19 -40.25 64.27 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.325 0.583 . . . . 10.0 110.253 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.31 -41.17 65.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.762 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.843 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.91 -17.48 25.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.821 -177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.716 HG13 ' O ' ' A' 1709 ' ' ILE . 63.9 mt -60.66 -44.66 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.567 0.222 . . . . 10.0 110.731 -177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.413 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.2 mt-10 -62.38 -54.33 49.9 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.609 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.417 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.4 Cg_endo -60.24 -26.81 83.52 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.141 1.894 . . . . 10.0 112.836 176.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.831 HD13 ' HE3' ' A' 1734 ' ' MET . 6.7 tt -73.14 -41.64 63.73 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.429 -0.509 . . . . 10.0 109.734 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.14 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.075 0.464 . . . . 10.0 110.345 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.74 -36.61 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.593 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.76 -43.73 53.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.626 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.39 70.97 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.513 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -86.07 -14.31 44.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.54 0.571 . . . . 10.0 112.54 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.61 -53.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.465 0.913 . . . . 10.0 113.465 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.721 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 36.1 mt-10 -71.33 85.56 0.8 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.474 -0.141 . . . . 10.0 111.074 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.635 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.0 -47.71 67.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 10.0 111.447 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.9 p -73.51 -18.23 61.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.461 . . . . 10.0 111.113 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.721 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.3 mt-30 -96.2 -31.98 12.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.86 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1727 ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' 1731 ' ' VAL . 26.1 tp -51.66 -49.53 62.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.119 -0.946 . . . . 10.0 111.798 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.96 56.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.305 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.97 -37.2 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.773 0.32 . . . . 10.0 110.809 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.7 mmtp -69.49 -42.87 74.22 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1731 ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' 1727 ' ' LEU . 96.4 t -59.66 -44.4 93.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.958 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.7 m -53.51 -43.71 68.52 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.473 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.65 -46.63 65.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.401 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1734 ' ' MET . . . . . 0.843 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.0 ttm -63.19 -43.43 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.762 0.315 . . . . 10.0 111.445 -174.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.108 0.48 . . . . 10.0 111.305 -173.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1736 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.88 -35.59 74.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.644 -174.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -71.16 -28.46 64.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.502 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1738 ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.46 -23.24 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.404 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.12 -58.09 17.81 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.54 -0.464 . . . . 10.0 111.41 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.9 Cg_endo -59.54 -34.05 96.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.69 1.593 . . . . 10.0 112.176 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1741 ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.17 -48.07 81.44 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.679 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.635 ' O ' HG23 ' A' 1746 ' ' VAL . 79.7 m -56.2 -55.53 32.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.236 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1743 ' ' LEU . . . . . 0.547 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.66 -48.58 74.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.065 0.459 . . . . 10.0 111.154 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1744 ' ' ALA . . . . . 0.471 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -64.57 -41.09 96.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.113 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.79 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.889 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1746 ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' 1742 ' ' THR . 43.3 t -63.81 -34.42 67.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.215 0.531 . . . . 10.0 109.596 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1747 ' ' GLY . . . . . 0.965 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.72 -56.03 27.15 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.971 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.402 ' HB2' HD13 ' A' 1698 ' ' LEU . . . -57.43 -36.42 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.568 0.223 . . . . 10.0 111.105 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1749 ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' 1762 ' ' LEU . . . -53.33 -57.85 9.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 10.0 111.726 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' 1687 ' ' LEU . 35.9 t -82.5 -22.79 34.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.638 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.6 tttp -91.44 -40.91 11.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.614 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 3.9 m -83.51 138.12 33.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 110.659 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 17.3 tp -157.45 27.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 10.0 110.604 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1754 ' ' SER . . . . . . . . . . . . . 24.5 m -88.92 -56.91 3.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.87 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 57.0 m80 -114.31 163.58 18.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.319 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.05 -3.16 9.22 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.276 2.651 . . . . 10.0 112.806 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.96 -6.55 46.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.071 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.45 -46.31 90.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 26.5 mmt -88.59 -12.12 43.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.498 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.74 25.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.07 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1761 ' ' LEU . . . . . 0.441 ' HB3' HG21 ' A' 1813 ' ' THR . 4.2 pp -72.77 -27.37 61.97 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.225 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' 1749 ' ' ALA . 51.0 tp -66.35 -32.97 74.68 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.441 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.48 -31.25 24.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.502 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1764 ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' 1768 ' ' LEU . 89.1 mt-30 -68.33 -22.49 64.69 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.718 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 40.4 m -94.51 -29.61 14.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.677 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.732 ' HE2' ' HA ' ' A' 1676 ' ' ASP . 58.0 tttm -68.0 -48.0 66.98 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.505 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 4.1 m -76.77 -15.51 59.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1768 ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' 1764 ' ' GLN . 53.4 tp -76.81 -37.07 56.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.247 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.575 ' HB3' ' HB3' ' B' ' 323' ' ' ASN . 27.8 mt-10 -70.96 -37.84 72.79 Favored 'General case' 0 C--N 1.337 0.036 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.408 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 68.7 m -69.95 -27.0 64.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.847 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -78.37 -25.28 46.24 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.718 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 38.7 tp -73.14 -45.37 57.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1774 ' ' GLN . . . . . 0.407 ' HB2' ' OD1' ' B' ' 323' ' ' ASN . 8.6 tp-100 -67.61 -25.19 65.64 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.501 HD11 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -67.06 -53.45 30.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.137 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.44 -16.88 64.45 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.641 0.258 . . . . 10.0 111.12 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -70.31 -53.69 15.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 111.198 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.5 p -70.9 -33.36 70.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.113 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.7 -30.74 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.15 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.89 -37.53 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.284 0.564 . . . . 10.0 110.212 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.698 ' HA ' ' CZ ' ' A' 1653 ' ' PHE . 75.4 mt-10 -73.25 -53.82 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.431 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.45 55.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.588 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.02 0.03 OUTLIER Glycine 0 C--N 1.33 0.225 0 O-C-N 123.963 0.789 . . . . 10.0 114.695 -168.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 76.74 1.51 72.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.286 -0.457 . . . . 10.0 112.97 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.5 t30 -139.81 95.43 8.74 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 10.0 111.123 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.23 -15.49 31.71 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.813 2.342 . . . . 10.0 112.427 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1787 ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' 1787 ' ' LYS . 0.9 OUTLIER -73.57 -61.43 1.83 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -172.171 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -80.6 25.03 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.29 0.567 . . . . 10.0 110.717 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.827 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.24 35.16 1.09 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.458 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.78 -49.94 67.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.737 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -82.25 -24.11 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 10.0 110.183 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.827 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 22.0 m -63.94 -27.84 69.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.833 177.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1793 ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.97 -37.1 71.12 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.546 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -85.13 -28.17 25.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.392 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -73.83 -28.54 61.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.501 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.6 -30.0 67.65 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.77 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.403 ' HA ' HG12 ' A' 1800 ' ' VAL . 30.1 mm-40 -77.04 -19.79 56.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.696 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1798 ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' 1802 ' ' MET . 41.2 mt-10 -87.68 -22.12 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.538 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -86.67 -32.65 20.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.184 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' 1797 ' ' GLU . 12.0 p -75.36 -37.22 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.974 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -76.39 -20.29 57.3 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.867 0.365 . . . . 10.0 111.084 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1802 ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' 1798 ' ' GLU . 18.8 ttt -79.7 -29.23 40.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.973 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1803 ' ' MET . . . . . 0.444 ' O ' HG23 ' A' 1807 ' ' VAL . 75.0 mtp -73.77 -49.48 25.22 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.339 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 10.9 t -64.23 -23.0 67.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.847 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.84 -37.85 87.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.647 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1806 ' ' ALA . . . . . 0.426 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -89.17 -19.93 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.336 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1807 ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' 1803 ' ' MET . 42.3 t -69.87 -51.24 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.806 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -66.37 -31.1 71.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 10.7 t0 -75.52 -28.61 59.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.526 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1810 ' ' LEU . . . . . 0.46 HD23 HG21 ' A' 1706 ' ' VAL . 27.0 tp -75.48 -42.91 51.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.838 0.352 . . . . 10.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1811 ' ' THR . . . . . 0.445 ' HA ' HD12 ' A' 1814 ' ' LEU . 19.2 m -57.98 -30.66 66.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.778 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1812 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1816 ' ' GLU . 25.5 m -62.96 -38.16 89.95 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.722 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1813 ' ' THR . . . . . 0.441 HG21 ' HB3' ' A' 1761 ' ' LEU . 7.7 m -78.97 -33.79 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.57 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1814 ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' 1811 ' ' THR . 95.4 mt -62.52 -49.07 76.79 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.117 0.484 . . . . 10.0 111.686 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -69.01 -37.18 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.231 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1816 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.1 mm-40 -72.47 -32.81 66.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1817 ' ' ALA . . . . . 0.599 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -56.78 -17.31 8.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.26 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.72 -49.71 57.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.042 0.449 . . . . 10.0 110.234 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.2 m -106.5 -17.0 14.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.365 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1820 ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -84.9 -16.17 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.654 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.2 -30.12 2.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.456 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.638 -1.09 . . . . 10.0 111.894 177.198 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.32 138.22 46.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.659 0.384 . . . . 10.0 110.973 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -124.84 144.9 50.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.987 0.515 . . . . 10.0 110.688 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 13.6 tp -87.86 115.29 25.21 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.182 0.301 . . . . 10.0 110.318 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 315' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.05 162.16 36.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 123.973 0.795 . . . . 10.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 316' ' ' LYS . . . . . 0.703 ' HD3' ' HB3' ' B' ' 325' ' ' LEU . 98.5 mttt -123.39 139.99 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.782 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -121.19 139.5 53.28 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.39 139.27 42.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 25.3 ttt -104.18 144.31 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.472 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -64.09 139.29 58.75 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.97 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 110.34 -43.09 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.488 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -126.51 179.91 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 10.0 110.437 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 323' ' ' ASN . . . . . 0.575 ' HB3' ' HB3' ' A' 1770 ' ' GLU . 0.1 OUTLIER -140.51 93.1 2.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.514 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 324' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' B' ' 324' ' ' LYS . 28.9 tptt -153.83 138.82 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.005 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.703 ' HB3' ' HD3' ' B' ' 316' ' ' LYS . 55.8 mt -86.28 123.33 31.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 9.5 m -124.3 147.07 53.81 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.055 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 138.72 66.09 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.811 2.341 . . . . 10.0 113.215 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 328' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -147.08 147.03 30.19 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.75 0.42 . . . . 10.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 58.5 mt -101.43 135.7 42.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.596 0.358 . . . . 10.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 22.4 tp -125.1 117.66 24.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.542 0.337 . . . . 10.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.77 120.33 6.81 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-O 119.659 -0.523 . . . . 10.0 112.021 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.23 133.42 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 117.085 0.442 . . . . 10.0 110.623 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 75.7 p -126.16 175.66 7.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.862 0.465 . . . . 10.0 110.111 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -74.16 -10.36 59.54 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -112.35 -41.5 3.88 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 75.7 m -150.88 161.35 42.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 19.2 t -107.52 140.06 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.18 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -145.24 151.73 38.85 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 339' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -108.1 129.5 55.15 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.587 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' VAL . . . . . . . . . . . . . 42.1 t -112.73 138.6 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.941 0.496 . . . . 10.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.39 131.71 35.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.428 0.291 . . . . 10.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.93 -31.54 72.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.45 -51.04 7.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.248 0.833 . . . . 10.0 113.248 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 47.2 p -87.05 -19.92 27.92 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 345' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 61.54 43.6 10.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.249 0.62 . . . . 10.0 111.791 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.65 160.31 38.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 10.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 23.4 t -85.62 132.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.498 0.319 . . . . 10.0 110.436 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.5 -57.49 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 122.526 0.33 . . . . 10.0 110.233 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -143.94 149.97 37.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.739 0.415 . . . . 10.0 110.682 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -137.71 156.16 48.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.073 0.398 . . . . 10.0 112.073 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 351' ' ' TRP . . . . . . . . . . . . . 21.8 m-90 -130.03 152.43 49.5 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.286 0.634 . . . . 10.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 68.0 m -82.46 150.38 27.07 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 122.907 0.129 . . . . 10.0 110.83 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.33 -35.79 76.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 40.4 p -79.44 -12.55 59.89 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -13.71 53.32 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.455 0.57 . . . . 10.0 112.498 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.86 134.4 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 117.976 0.353 . . . . 10.0 110.312 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.65 -62.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.39 0.431 . . . . 10.0 111.482 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 358' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' B' ' 369' ' ' ASP . 14.1 ptt180 -135.57 165.57 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.252 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 43.3 p90 -153.36 144.93 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.309 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -107.87 121.81 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -97.89 94.81 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.779 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 362' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' B' ' 365' ' ' SER . 68.9 m -102.64 157.47 33.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.94 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.77 -31.1 94.39 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.785 2.323 . . . . 10.0 113.258 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -119.77 -42.53 2.62 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 365' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' B' ' 362' ' ' SER . 8.2 t -98.85 168.66 9.98 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -151.14 102.76 2.97 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.075 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 367' ' ' THR . . . . . . . . . . . . . 7.4 m -86.18 121.39 28.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.592 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.27 127.23 53.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.049 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 369' ' ' ASP . . . . . 0.588 ' HB3' ' HG3' ' B' ' 358' ' ' ARG . 25.9 t70 -111.82 126.61 55.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.253 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -111.28 150.49 29.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -79.7 -103.25 0.26 Allowed Glycine 0 C--N 1.35 1.32 0 CA-C-O 119.821 -0.433 . . . . 10.0 112.988 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.77 70.1 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.94 0.4 . . . . 10.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -152.02 -55.54 0.13 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.107 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -105.14 130.86 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.53 0.519 . . . . 10.0 111.308 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -86.73 -36.65 18.52 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.741 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 376' ' ' GLY . . . . . 0.401 ' HA2' HD21 ' A' 1680 ' ' LEU . . . -86.07 -155.13 25.5 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.622 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 377' ' ' TYR . . . . . 0.47 ' HD2' HD12 ' A' 1680 ' ' LEU . 0.7 OUTLIER -123.47 149.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -129.81 104.63 7.51 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.244 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 20.6 p -133.64 115.28 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 15.9 m -118.73 164.9 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.774 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 381' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -92.84 117.38 29.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.258 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 13.0 t -117.06 144.53 44.53 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 35.0 p -85.72 -29.85 23.59 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.87 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -121.41 69.0 0.9 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 122.92 0.488 . . . . 10.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -67.75 -33.64 80.91 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 116.028 -0.533 . . . . 10.0 114.204 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.36 -34.49 74.66 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 117.239 0.52 . . . . 10.0 111.728 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.6 -38.41 70.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.58 0.352 . . . . 10.0 111.579 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.9 -41.84 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.186 0.194 . . . . 10.0 110.927 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.03 98.4 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -69.55 -33.36 72.66 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.636 0.374 . . . . 10.0 111.715 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.87 -41.87 82.17 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.758 0.423 . . . . 10.0 112.006 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 392' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.82 -42.82 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.602 0.361 . . . . 10.0 110.811 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.13 95.38 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.95 -37.71 93.49 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 119.566 -0.574 . . . . 10.0 113.734 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -65.18 -36.28 83.71 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.587 0.693 . . . . 10.0 111.46 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 396' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.44 -36.91 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.76 -37.01 85.78 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.838 0.455 . . . . 10.0 112.003 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 38.1 mt -69.43 -37.77 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.551 0.34 . . . . 10.0 111.365 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 47.2 mt -68.48 -40.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.533 0.333 . . . . 10.0 111.293 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.87 -34.32 77.67 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.981 -0.448 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1650 ' ' ILE . . . . . 0.407 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.4 tp -122.55 132.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.99 0.424 . . . . 10.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.59 109.17 41.78 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.498 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1652 ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' 1650 ' ' ILE . 91.8 Cg_endo -94.77 10.53 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.132 2.555 . . . . 10.0 111.959 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1653 ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' 1654 ' ' THR . 61.1 m-85 -113.05 -90.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.358 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1654 ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' 1653 ' ' PHE . 14.6 t 171.8 35.6 0.0 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1655 ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -146.5 147.46 30.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 10.0 111.58 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.69 -18.14 42.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.565 2.176 . . . . 10.0 111.928 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -60.78 -35.53 90.15 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.591 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1658 ' ' GLN . . . . . 0.442 ' OE1' ' HB3' ' A' 1655 ' ' ALA . 15.6 mp0 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 10.0 110.781 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.48 -46.32 90.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1660 ' ' GLU . . . . . 0.493 ' H ' ' HG2' ' A' 1660 ' ' GLU . 0.1 OUTLIER -64.67 -50.63 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.672 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1661 ' ' CYS . . . . . 0.49 ' O ' HG13 ' A' 1665 ' ' ILE . 63.7 m -59.02 -53.04 62.84 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1662 ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' 1665 ' ' ILE . 22.8 tt0 -58.46 -39.21 79.3 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 25.6 m -66.29 -39.32 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.993 0.425 . . . . 10.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.73 -34.13 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.253 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1665 ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' 1662 ' ' GLU . 94.7 mt -58.33 -49.03 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.718 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.2 77.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.12 -49.75 26.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.42 -41.95 99.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.46 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1669 ' ' ASN . . . . . 0.474 HD22 HD21 ' A' 1773 ' ' LEU . 21.1 t-20 -59.48 -34.97 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 10.0 110.478 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 67.4 m -65.27 -42.78 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.024 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 71.8 m -68.77 -33.25 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.646 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1672 ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' 1672 ' ' LEU . 0.3 OUTLIER -62.44 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.133 178.816 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1673 ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.5 mtt180 -62.72 -40.78 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.813 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.09 -50.18 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.5 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1675 ' ' LEU . . . . . 0.567 HD12 HG23 ' A' 1742 ' ' THR . 0.5 OUTLIER -65.9 -35.1 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.04 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1676 ' ' ASP . . . . . 0.687 ' HA ' ' HE2' ' A' 1766 ' ' LYS . 31.2 t70 -59.7 -34.09 72.44 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.459 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -95.71 -22.53 17.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.536 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.52 85.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.78 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1679 ' ' SER . . . . . 0.652 ' HA ' HD21 ' A' 1762 ' ' LEU . 1.5 m -59.78 -32.63 70.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.152 0.501 . . . . 10.0 111.05 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 19.1 mt -83.15 -36.4 24.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.505 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.09 65.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.507 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -59.36 -52.9 63.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.625 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1683 ' ' VAL . . . . . 0.466 ' HB ' ' HE2' ' B' ' 377' ' ' TYR . 8.3 p -65.47 -25.96 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 10.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.3 t -84.32 -2.64 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.682 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 63.76 28.84 14.9 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.552 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -99.67 27.72 5.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1687 ' ' LEU . . . . . 0.416 ' HB3' ' HB3' ' A' 1750 ' ' SER . 0.1 OUTLIER -133.35 132.21 41.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.181 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1688 ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.08 137.79 79.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.695 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1689 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 34.2 Cg_exo -63.11 98.41 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.733 2.289 . . . . 10.0 111.663 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1690 ' ' ARG . . . . . . . . . . . . 0.283 0.3 OUTLIER 52.64 -177.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 -50.19 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1692 ' ' GLY . . . . . 0.402 ' H ' ' H ' ' A' 1693 ' ' ILE . . . -169.13 -0.5 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.269 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1693 ' ' ILE . . . . . 0.402 ' H ' ' H ' ' A' 1692 ' ' GLY . 16.1 tt -79.91 145.19 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 10.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 2.0 m -78.93 166.58 22.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.537 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1695 ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' 1698 ' ' LEU . 29.0 tp60 -59.56 -53.73 54.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.771 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -69.5 -37.28 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.84 63.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.897 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1698 ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' 1748 ' ' ALA . 11.2 mt -61.26 -47.85 84.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.11 -49.74 76.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.077 -0.965 . . . . 10.0 110.599 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -42.01 99.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.735 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -53.17 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1702 ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.53 -45.37 88.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.64 -45.13 95.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 29.2 m -65.78 -46.33 79.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.648 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1705 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.748 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1706 ' ' VAL . . . . . . . . . . . . . 32.6 t -57.48 -44.96 85.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.79 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.3 -40.53 94.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.251 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.16 -47.52 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.264 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1709 ' ' ILE . . . . . 0.538 ' O ' HG13 ' A' 1713 ' ' ILE . 97.9 mt -60.12 -46.53 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.36 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1710 ' ' SER . . . . . 0.618 ' HA ' HD12 ' A' 1713 ' ' ILE . 4.3 p -66.34 -28.35 68.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 10.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -69.27 -39.49 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.093 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1712 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1709 ' ' ILE . 3.5 pp -84.66 -11.64 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1713 ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' 1710 ' ' SER . 19.2 mt -57.73 -51.04 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.643 0.259 . . . . 10.0 111.562 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1714 ' ' GLU . . . . . 0.725 ' HB2' ' HD3' ' A' 1715 ' ' PRO . 33.7 mt-10 -59.07 -55.38 46.93 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.795 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1715 ' ' PRO . . . . . 0.725 ' HD3' ' HB2' ' A' 1714 ' ' GLU . 51.3 Cg_exo -59.27 -25.26 77.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.53 2.153 . . . . 10.0 112.472 178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1716 ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' 1730 ' ' LYS . 1.1 tt -75.5 -38.86 59.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1717 ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -59.15 -39.81 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.459 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 39.1 t -69.08 -38.19 78.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.238 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1719 ' ' ALA . . . . . 0.776 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -69.58 -41.47 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -69.46 1.12 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1721 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 1717 ' ' ALA . 7.8 ptp180 -138.73 8.41 2.57 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.781 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -165.57 -59.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1723 ' ' GLU . . . . . 0.776 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 26.8 mt-10 -73.93 86.23 1.77 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.763 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1724 ' ' ALA . . . . . 0.726 ' HB2' ' HA2' ' A' 1784 ' ' GLY . . . -69.38 -44.91 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.424 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 -43.74 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.915 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1726 ' ' GLN . . . . . 0.745 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 8.6 mt-30 -72.8 -16.93 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.879 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.97 -43.75 77.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.4 94.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.856 -0.687 . . . . 10.0 112.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1729 ' ' HIS . . . . . 0.553 ' ND1' ' HA ' ' A' 1726 ' ' GLN . 40.1 m80 -66.58 -42.54 86.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.793 0.33 . . . . 10.0 110.624 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1730 ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' 1726 ' ' GLN . 16.0 mmtp -65.95 -43.68 87.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 79.0 t -63.18 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 51.8 m -56.44 -44.61 80.61 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.902 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1733 ' ' GLN . . . . . 0.425 ' HB3' HD22 ' A' 1712 ' ' LEU . 77.0 mt-30 -62.58 -43.44 98.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1734 ' ' MET . . . . . . . . . . . . . 37.7 ttm -64.37 -48.28 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.653 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.17 70.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 10.0 112.975 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.29 -12.69 61.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.97 -22.81 14.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.108 0.411 . . . . 10.0 112.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1738 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.49 -32.04 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.796 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1739 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1740 ' ' PRO . 42.7 tt0 -60.52 -57.3 27.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1740 ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' 1739 ' ' GLU . 18.4 Cg_endo -58.39 -34.38 98.65 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.115 1.877 . . . . 10.0 111.608 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1741 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -43.48 84.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.887 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1742 ' ' THR . . . . . 0.567 HG23 HD12 ' A' 1675 ' ' LEU . 63.4 m -60.91 -49.33 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.034 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.762 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -64.28 -46.99 81.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.757 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1745 ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' 1765 ' ' THR . . . -58.15 -47.27 83.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 10.0 111.209 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1746 ' ' VAL . . . . . . . . . . . . . 62.8 t -64.91 -44.87 96.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.723 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -67.88 -33.23 79.18 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.156 -0.545 . . . . 10.0 113.236 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1748 ' ' ALA . . . . . 0.592 ' HB2' HD22 ' A' 1698 ' ' LEU . . . -70.03 -34.64 73.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.625 0.25 . . . . 10.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.81 74.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.933 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1750 ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 2.2 p -88.06 -0.57 57.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 51.3 tttp -116.12 -45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.346 . . . . 10.0 111.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.4 106.99 17.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.47 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 26.2 tp -126.11 12.61 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.454 0.645 . . . . 10.0 109.757 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1754 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -32.77 70.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.526 -0.761 . . . . 10.0 112.539 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -138.09 156.58 73.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 122.287 -0.258 . . . . 10.0 111.625 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.73 -11.62 27.45 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.961 2.44 . . . . 10.0 112.105 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -63.57 -14.4 51.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.923 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -54.34 -45.38 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.393 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.1 mmt -78.96 -25.18 43.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.112 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1760 ' ' ALA . . . . . 0.621 ' HB2' ' HB1' ' B' ' 360' ' ' ALA . . . -65.96 -56.39 11.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.889 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1761 ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.05 -32.23 71.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1762 ' ' LEU . . . . . 0.652 HD21 ' HA ' ' A' 1679 ' ' SER . 27.6 tp -65.2 -49.38 69.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.469 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.31 -39.56 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.86 -47.22 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.158 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1765 ' ' THR . . . . . 0.431 HG21 ' HB2' ' A' 1745 ' ' ALA . 14.8 m -66.65 -36.79 83.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1766 ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' 1676 ' ' ASP . 28.3 tttm -61.11 -51.96 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.392 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 10.5 m -62.74 -31.75 72.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.701 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.93 -46.14 89.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.11 85.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.937 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1770 ' ' GLU . . . . . 0.782 ' HB3' ' HB3' ' B' ' 323' ' ' ASN . 39.4 mt-10 -62.05 -40.57 96.22 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.024 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 15.0 m -68.41 -38.06 80.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.573 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.51 87.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.09 0.472 . . . . 10.0 110.316 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1773 ' ' LEU . . . . . 0.474 HD21 HD22 ' A' 1669 ' ' ASN . 29.2 tp -62.05 -38.73 89.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.761 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -31.33 68.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.188 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1775 ' ' LEU . . . . . 0.414 HD11 HD22 ' A' 1716 ' ' LEU . 2.0 tm? -66.26 -42.13 88.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.57 -35.11 79.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.437 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -63.36 -38.39 90.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.027 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -38.26 29.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.979 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.0 72.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.12 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1780 ' ' LYS . . . . . 0.525 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 9.9 ttpt -73.32 -8.13 54.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.377 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1781 ' ' GLU . . . . . 0.727 ' HB2' HG21 ' A' 1792 ' ' THR . 58.5 mt-10 -107.79 -56.11 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.022 0.439 . . . . 10.0 111.427 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.36 -8.94 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -70.18 94.18 0.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.991 -0.623 . . . . 10.0 112.864 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1784 ' ' GLY . . . . . 0.726 ' HA2' ' HB2' ' A' 1724 ' ' ALA . . . 117.39 -43.71 1.58 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.732 -0.746 . . . . 10.0 113.456 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -134.87 110.51 11.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 117.058 0.429 . . . . 10.0 111.777 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -83.6 -6.93 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.737 2.291 . . . . 10.0 112.919 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -78.68 -50.81 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 10.0 111.328 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -76.31 -6.98 53.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.162 0.506 . . . . 10.0 110.817 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1789 ' ' ALA . . . . . 0.613 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -126.61 47.86 2.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.145 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.49 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.507 -0.769 . . . . 10.0 111.338 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -29.98 68.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.052 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1792 ' ' THR . . . . . 0.727 HG21 ' HB2' ' A' 1781 ' ' GLU . 3.5 m -66.23 -22.56 66.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.811 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -59.75 -42.91 94.29 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 121.201 0.524 . . . . 10.0 109.7 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -84.32 -30.29 25.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.601 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1795 ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' 1792 ' ' THR . . . -66.86 -32.61 74.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.473 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.3 -38.61 87.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.082 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1797 ' ' GLU . . . . . 0.423 ' HA ' HG12 ' A' 1800 ' ' VAL . 11.1 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.707 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.13 -11.81 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.583 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.3 5.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.314 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1800 ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' 1797 ' ' GLU . 14.6 p -66.51 -42.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.043 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.8 -28.22 63.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.912 0.387 . . . . 10.0 111.315 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 24.0 ttt -68.46 -29.06 67.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.165 0.507 . . . . 10.0 109.737 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1803 ' ' MET . . . . . . . . . . . . . 55.0 mtp -70.25 -47.16 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.08 74.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.516 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.96 -50.22 71.39 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.461 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -70.47 -38.36 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1807 ' ' VAL . . . . . . . . . . . . . 41.1 t -55.81 -52.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.277 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.31 -43.69 96.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.757 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.78 -44.56 93.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.0 -36.0 82.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 63.0 m -58.15 -40.81 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -43.04 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 10.0 110.586 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -35.27 78.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.528 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -46.86 71.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -38.24 85.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.972 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.16 -24.29 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.795 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -64.13 -23.84 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.43 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.21 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 3.7 m -131.43 25.61 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.662 0.268 . . . . 10.0 111.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -146.48 8.09 1.01 Allowed 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -104.96 -79.41 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 10.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.533 -1.149 . . . . 10.0 111.553 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.486 0.184 . . . . 10.0 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.76 120.62 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 10.0 110.748 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.77 143.27 46.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 58.5 tp -85.68 126.23 33.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 315' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' B' ' 382' ' ' THR . 16.4 m -132.69 153.76 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 10.0 111.502 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 316' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' B' ' 325' ' ' LEU . 85.7 mttt -109.45 120.08 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.73 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' B' ' 325' ' ' LEU . 7.9 mt-10 -94.94 170.13 9.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 10.0 112.098 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -148.36 151.77 35.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 21.6 ttt -124.68 144.59 50.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -67.32 99.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.58 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 144.0 -60.72 0.51 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.499 -1.04 . . . . 10.0 110.499 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -104.21 97.35 7.32 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 323' ' ' ASN . . . . . 0.782 ' HB3' ' HB3' ' A' 1770 ' ' GLU . 0.7 OUTLIER -69.36 86.08 0.42 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.19 -0.914 . . . . 10.0 111.775 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 324' ' ' LYS . . . . . 0.471 ' HA ' ' HD2' ' B' ' 324' ' ' LYS . 24.2 tptt -157.3 148.94 22.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.2 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 325' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' B' ' 316' ' ' LYS . 89.3 mt -91.79 131.49 37.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.894 0.378 . . . . 10.0 111.941 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 5.9 m -119.29 137.43 25.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.331 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.99 128.7 15.24 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.0 2.467 . . . . 10.0 113.26 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 328' ' ' ARG . . . . . 0.765 ' HD2' ' HA ' ' B' ' 341' ' ' ASP . 16.0 tpp180 -136.31 164.84 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.408 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 329' ' ' LEU . . . . . 0.452 ' H ' ' HG3' ' B' ' 328' ' ' ARG . 77.8 mt -112.15 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 10.0 110.995 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -102.97 117.83 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.87 103.5 2.76 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.043 -0.599 . . . . 10.0 111.745 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.57 124.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 10.0 110.951 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 48.4 p -116.91 -167.17 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 12.19 30.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 10.0 111.051 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.41 -52.63 0.6 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.52 142.0 45.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 33.7 t -94.62 108.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.755 -1.202 . . . . 10.0 107.755 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -95.98 127.74 42.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 339' ' ' ARG . . . . . 0.553 ' HB2' ' HZ3' ' B' ' 351' ' ' TRP . 37.0 ttt180 -88.34 100.19 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 340' ' ' VAL . . . . . 0.464 HG22 HG22 ' B' ' 347' ' ' VAL . 13.7 t -102.08 132.61 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.338 0.59 . . . . 10.0 112.044 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 341' ' ' ASP . . . . . 0.765 ' HA ' ' HD2' ' B' ' 328' ' ' ARG . 9.5 t0 -80.69 145.43 31.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.951 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -91.68 -18.74 23.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.729 0.3 . . . . 10.0 111.422 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -79.54 -57.86 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.149 0.499 . . . . 10.0 111.242 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.97 -12.21 33.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.478 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 345' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' B' ' 341' ' ' ASP . 30.7 mmtp 57.41 52.09 9.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.198 0.523 . . . . 10.0 111.323 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -133.71 153.33 51.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.702 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 347' ' ' VAL . . . . . 0.464 HG22 HG22 ' B' ' 340' ' ' VAL . 58.4 t -82.15 113.12 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 41.2 mt -72.75 -45.49 56.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.05 151.18 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.631 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -123.21 154.02 39.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 10.0 110.952 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 351' ' ' TRP . . . . . 0.553 ' HZ3' ' HB2' ' B' ' 339' ' ' ARG . 29.6 m-90 -116.24 136.91 52.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.652 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 142.0 47.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.55 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.44 -48.7 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 10.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 39.7 0.35 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.192 0.52 . . . . 10.0 111.73 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.86 -13.26 2.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.486 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 33.5 mt -69.28 134.32 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -102.91 -57.04 2.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.049 0.452 . . . . 10.0 111.336 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 358' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -152.34 163.31 39.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.937 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.19 144.18 33.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.082 0.468 . . . . 10.0 111.587 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 360' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' 1760 ' ' ALA . . . -109.48 102.51 11.38 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -92.8 94.91 9.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.363 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 362' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 365' ' ' SER . 43.5 m -98.86 167.25 11.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.0 -37.91 86.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.577 2.184 . . . . 10.0 113.107 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -120.48 -55.72 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 365' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' B' ' 362' ' ' SER . 3.5 m -77.66 138.49 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.304 0.573 . . . . 10.0 112.53 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -124.21 102.01 7.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.788 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 367' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' B' ' 360' ' ' ALA . 0.7 OUTLIER -89.05 122.68 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.803 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -108.45 129.63 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 10.0 111.091 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -120.37 129.02 53.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.7 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -118.95 169.22 10.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.357 . . . . 10.0 111.33 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -82.25 -137.8 2.69 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.546 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.8 87.63 5.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 10.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -167.5 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -92.36 147.03 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -54.79 6.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.481 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 376' ' ' GLY . . . . . . . . . . . . . . . -120.14 -126.92 3.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.483 -0.865 . . . . 10.0 112.719 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 377' ' ' TYR . . . . . 0.466 ' HE2' ' HB ' ' A' 1683 ' ' VAL . 2.6 m-85 -123.43 162.43 22.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.68 0.276 . . . . 10.0 111.365 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -139.48 101.37 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.827 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 124.34 44.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.388 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.63 170.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.219 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 381' ' ' GLN . . . . . 0.402 ' HB3' ' HB2' ' B' ' 316' ' ' LYS . 37.0 tt0 -106.61 131.71 53.45 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 382' ' ' THR . . . . . 0.572 ' HB ' HG12 ' B' ' 315' ' ' VAL . 14.2 t -154.13 141.76 19.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.521 . . . . 10.0 110.657 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -25.83 59.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.586 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 384' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' B' ' 387' ' ' GLN . 41.7 mt-10 -106.1 41.54 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -60.17 -40.17 96.89 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.314 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -39.95 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 10.0 111.238 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 387' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' B' ' 384' ' ' GLU . 21.3 mp0 -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.626 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.27 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.64 -38.56 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.42 -46.36 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.319 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 392' ' ' ILE . . . . . 0.411 ' O ' HG13 ' B' ' 396' ' ' ILE . 96.5 mt -61.63 -46.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.413 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.99 73.48 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.356 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -69.04 -35.0 77.49 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.577 . . . . 10.0 112.09 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.31 -30.99 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 10.0 111.044 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 396' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 392' ' ' ILE . 78.8 mt -63.89 -31.63 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 10.0 109.716 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.04 -28.46 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.858 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.04 -38.51 72.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.092 0.472 . . . . 10.0 109.828 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 32.6 mt -69.83 -37.08 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.92 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.96 52.75 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.5 tptt . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.669 -0.681 . . . . 10.0 110.441 -179.511 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.143 -0.383 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.464 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.5 tp -111.21 148.39 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 122.598 -0.354 . . . . 10.0 110.082 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.93 98.21 14.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 110.27 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' 1650 ' ' ILE . 92.7 Cg_endo -90.48 -0.52 5.28 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.661 2.241 . . . . 10.0 111.714 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.698 ' CZ ' ' HA ' ' A' 1781 ' ' GLU . 95.9 m-85 -102.09 -90.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.047 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.602 ' HB ' ' O ' ' A' 1653 ' ' PHE . 12.8 t 171.2 29.19 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -175.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.16 159.8 31.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 119.766 -0.774 . . . . 10.0 112.248 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.93 144.93 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.484 2.123 . . . . 10.0 110.313 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.44 -39.73 2.8 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.212 -0.994 . . . . 10.0 111.674 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.476 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.5 mp0 -51.54 -43.33 62.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.074 0.464 . . . . 10.0 110.023 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.13 -56.35 19.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -59.04 -38.33 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.989 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.437 ' O ' HG13 ' A' 1665 ' ' ILE . 81.3 m -67.66 -42.74 81.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.963 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.93 -34.77 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 10.0 110.731 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.1 p -68.7 -36.79 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.025 0.44 . . . . 10.0 110.601 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.22 65.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.531 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' 1661 ' ' CYS . 11.8 mt -55.95 -39.8 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.777 175.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.49 94.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.111 0.482 . . . . 10.0 111.274 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.08 -46.53 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.275 0.559 . . . . 10.0 110.723 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1668 ' ' LEU . . . . . 0.538 HD12 ' SG ' ' A' 1671 ' ' CYS . 21.1 tp -64.0 -37.45 87.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.331 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.4 t-20 -60.89 -39.12 88.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.415 0.626 . . . . 10.0 109.488 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.9 t -64.21 -38.18 90.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.055 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1671 ' ' CYS . . . . . 0.538 ' SG ' HD12 ' A' 1668 ' ' LEU . 1.8 p -80.36 -21.32 42.51 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.47 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' 1672 ' ' LEU . 0.2 OUTLIER -68.57 -43.77 75.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.975 0.417 . . . . 10.0 110.254 174.638 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.51 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.47 -48.03 82.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.369 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1675 ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.03 -28.1 66.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.462 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1676 ' ' ASP . . . . . 0.732 ' HA ' ' HE2' ' A' 1766 ' ' LYS . 30.2 t70 -69.51 -40.37 77.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -86.41 -15.31 40.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1678 ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' 1681 ' ' ALA . . . -80.2 -16.78 54.05 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.129 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 39.8 t -67.34 -37.06 82.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.733 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1680 ' ' LEU . . . . . 0.47 HD12 ' HD2' ' B' ' 377' ' ' TYR . 1.2 tp -98.34 -14.77 20.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.762 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1681 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 1678 ' ' ALA . . . -76.02 -44.29 40.08 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.19 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 9.5 p -81.9 -17.18 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 8.4 t -103.28 14.85 30.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.084 0.469 . . . . 10.0 110.441 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 60.41 29.78 19.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.873 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -103.34 15.06 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.822 0.344 . . . . 10.0 110.956 -178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.24 140.46 49.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.762 -0.458 . . . . 10.0 109.762 -176.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.41 ' N ' HD13 ' A' 1687 ' ' LEU . . . -85.65 140.0 35.65 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.924 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.28 110.7 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.153 2.568 . . . . 10.0 112.887 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1690 ' ' ARG . . . . . 0.965 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.4 ppt_? 41.03 -172.19 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.112 1.365 . . . . 10.0 114.678 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1691 ' ' GLU . . . . . 0.547 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.35 -47.76 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.27 176.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1692 ' ' GLY . . . . . 0.55 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.54 69.17 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.4 tt -164.71 156.45 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.631 0.215 . . . . 10.0 110.698 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1694 ' ' SER . . . . . 0.481 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.5 p -88.03 -175.28 5.03 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.667 0.27 . . . . 10.0 111.256 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -77.14 -50.4 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -25.6 60.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.958 0.409 . . . . 10.0 110.416 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.96 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.394 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.0 mt -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 173.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -55.43 -39.05 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.978 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -65.83 -58.54 5.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 10.0 111.06 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1701 ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.17 78.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.67 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1702 ' ' MET . . . . . 0.578 ' O ' HG23 ' A' 1706 ' ' VAL . 70.0 mtp -66.69 -50.55 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.099 -174.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.736 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 45.4 m -59.8 -41.73 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 10.0 110.628 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1705 ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.78 -50.31 65.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.958 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1706 ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' 1702 ' ' MET . 96.3 t -54.23 -47.79 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.689 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -55.09 -49.73 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.442 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.32 -27.09 65.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.596 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.716 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.36 -57.89 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 172.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.541 ' HA ' HD12 ' A' 1713 ' ' ILE . 42.1 t -53.19 -40.25 64.27 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.325 0.583 . . . . 10.0 110.253 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.31 -41.17 65.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.762 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.843 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.91 -17.48 25.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.821 -177.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.716 HG13 ' O ' ' A' 1709 ' ' ILE . 63.9 mt -60.66 -44.66 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.567 0.222 . . . . 10.0 110.731 -177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.413 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.2 mt-10 -62.38 -54.33 49.9 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.609 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.417 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.4 Cg_endo -60.24 -26.81 83.52 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.141 1.894 . . . . 10.0 112.836 176.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.831 HD13 ' HE3' ' A' 1734 ' ' MET . 6.7 tt -73.14 -41.64 63.73 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.429 -0.509 . . . . 10.0 109.734 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.14 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.075 0.464 . . . . 10.0 110.345 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.74 -36.61 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.593 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.76 -43.73 53.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.626 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.39 70.97 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.513 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -86.07 -14.31 44.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.54 0.571 . . . . 10.0 112.54 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.61 -53.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.465 0.913 . . . . 10.0 113.465 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.721 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 36.1 mt-10 -71.33 85.56 0.8 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.474 -0.141 . . . . 10.0 111.074 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.635 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.0 -47.71 67.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 10.0 111.447 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.9 p -73.51 -18.23 61.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.461 . . . . 10.0 111.113 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.721 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.3 mt-30 -96.2 -31.98 12.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.86 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1727 ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' 1731 ' ' VAL . 26.1 tp -51.66 -49.53 62.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.119 -0.946 . . . . 10.0 111.798 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.96 56.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.305 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.97 -37.2 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.773 0.32 . . . . 10.0 110.809 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.7 mmtp -69.49 -42.87 74.22 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1731 ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' 1727 ' ' LEU . 96.4 t -59.66 -44.4 93.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.958 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.7 m -53.51 -43.71 68.52 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.473 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.65 -46.63 65.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.401 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1734 ' ' MET . . . . . 0.843 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.0 ttm -63.19 -43.43 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.762 0.315 . . . . 10.0 111.445 -174.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.108 0.48 . . . . 10.0 111.305 -173.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1736 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.88 -35.59 74.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.644 -174.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -71.16 -28.46 64.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.502 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1738 ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.46 -23.24 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.404 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.12 -58.09 17.81 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.54 -0.464 . . . . 10.0 111.41 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.9 Cg_endo -59.54 -34.05 96.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.69 1.593 . . . . 10.0 112.176 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1741 ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.17 -48.07 81.44 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.679 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.635 ' O ' HG23 ' A' 1746 ' ' VAL . 79.7 m -56.2 -55.53 32.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.236 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1743 ' ' LEU . . . . . 0.547 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.66 -48.58 74.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.065 0.459 . . . . 10.0 111.154 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1744 ' ' ALA . . . . . 0.471 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -64.57 -41.09 96.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.113 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.79 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.889 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1746 ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' 1742 ' ' THR . 43.3 t -63.81 -34.42 67.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.215 0.531 . . . . 10.0 109.596 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1747 ' ' GLY . . . . . 0.965 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.72 -56.03 27.15 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.971 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.402 ' HB2' HD13 ' A' 1698 ' ' LEU . . . -57.43 -36.42 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.568 0.223 . . . . 10.0 111.105 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1749 ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' 1762 ' ' LEU . . . -53.33 -57.85 9.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 10.0 111.726 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' 1687 ' ' LEU . 35.9 t -82.5 -22.79 34.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.638 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.6 tttp -91.44 -40.91 11.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.614 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 3.9 m -83.51 138.12 33.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 110.659 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 17.3 tp -157.45 27.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 10.0 110.604 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 24.5 m -88.92 -56.91 3.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.87 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 57.0 m80 -114.31 163.58 18.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.319 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.05 -3.16 9.22 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.276 2.651 . . . . 10.0 112.806 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.96 -6.55 46.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.071 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.45 -46.31 90.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 26.5 mmt -88.59 -12.12 43.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.498 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.74 25.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.07 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1761 ' ' LEU . . . . . 0.441 ' HB3' HG21 ' A' 1813 ' ' THR . 4.2 pp -72.77 -27.37 61.97 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.225 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' 1749 ' ' ALA . 51.0 tp -66.35 -32.97 74.68 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.441 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.48 -31.25 24.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.502 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1764 ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' 1768 ' ' LEU . 89.1 mt-30 -68.33 -22.49 64.69 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.718 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 40.4 m -94.51 -29.61 14.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.677 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.732 ' HE2' ' HA ' ' A' 1676 ' ' ASP . 58.0 tttm -68.0 -48.0 66.98 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.505 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 4.1 m -76.77 -15.51 59.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1768 ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' 1764 ' ' GLN . 53.4 tp -76.81 -37.07 56.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.247 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.575 ' HB3' ' HB3' ' B' ' 323' ' ' ASN . 27.8 mt-10 -70.96 -37.84 72.79 Favored 'General case' 0 C--N 1.337 0.036 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.408 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 68.7 m -69.95 -27.0 64.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.847 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -78.37 -25.28 46.24 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.718 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 38.7 tp -73.14 -45.37 57.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1774 ' ' GLN . . . . . 0.407 ' HB2' ' OD1' ' B' ' 323' ' ' ASN . 8.6 tp-100 -67.61 -25.19 65.64 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.501 HD11 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -67.06 -53.45 30.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.137 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.44 -16.88 64.45 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.641 0.258 . . . . 10.0 111.12 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -70.31 -53.69 15.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 111.198 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.5 p -70.9 -33.36 70.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.113 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.7 -30.74 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.15 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.89 -37.53 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.284 0.564 . . . . 10.0 110.212 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.698 ' HA ' ' CZ ' ' A' 1653 ' ' PHE . 75.4 mt-10 -73.25 -53.82 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.431 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.45 55.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.588 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.02 0.03 OUTLIER Glycine 0 C--N 1.33 0.225 0 O-C-N 123.963 0.789 . . . . 10.0 114.695 -168.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 76.74 1.51 72.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.286 -0.457 . . . . 10.0 112.97 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.5 t30 -139.81 95.43 8.74 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 10.0 111.123 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.23 -15.49 31.71 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.813 2.342 . . . . 10.0 112.427 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1787 ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' 1787 ' ' LYS . 0.9 OUTLIER -73.57 -61.43 1.83 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -172.171 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -80.6 25.03 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.29 0.567 . . . . 10.0 110.717 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.827 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.24 35.16 1.09 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.458 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.78 -49.94 67.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.737 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -82.25 -24.11 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 10.0 110.183 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.827 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 22.0 m -63.94 -27.84 69.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.833 177.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1793 ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.97 -37.1 71.12 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.546 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -85.13 -28.17 25.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.392 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -73.83 -28.54 61.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.501 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.6 -30.0 67.65 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.77 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.403 ' HA ' HG12 ' A' 1800 ' ' VAL . 30.1 mm-40 -77.04 -19.79 56.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.696 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1798 ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' 1802 ' ' MET . 41.2 mt-10 -87.68 -22.12 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.538 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -86.67 -32.65 20.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.184 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' 1797 ' ' GLU . 12.0 p -75.36 -37.22 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.974 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -76.39 -20.29 57.3 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.867 0.365 . . . . 10.0 111.084 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1802 ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' 1798 ' ' GLU . 18.8 ttt -79.7 -29.23 40.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.973 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1803 ' ' MET . . . . . 0.444 ' O ' HG23 ' A' 1807 ' ' VAL . 75.0 mtp -73.77 -49.48 25.22 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.339 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 10.9 t -64.23 -23.0 67.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.847 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.84 -37.85 87.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.647 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1806 ' ' ALA . . . . . 0.426 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -89.17 -19.93 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.336 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1807 ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' 1803 ' ' MET . 42.3 t -69.87 -51.24 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.806 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -66.37 -31.1 71.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 10.7 t0 -75.52 -28.61 59.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.526 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1810 ' ' LEU . . . . . 0.46 HD23 HG21 ' A' 1706 ' ' VAL . 27.0 tp -75.48 -42.91 51.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.838 0.352 . . . . 10.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1811 ' ' THR . . . . . 0.445 ' HA ' HD12 ' A' 1814 ' ' LEU . 19.2 m -57.98 -30.66 66.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.778 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1812 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1816 ' ' GLU . 25.5 m -62.96 -38.16 89.95 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.722 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1813 ' ' THR . . . . . 0.441 HG21 ' HB3' ' A' 1761 ' ' LEU . 7.7 m -78.97 -33.79 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.57 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1814 ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' 1811 ' ' THR . 95.4 mt -62.52 -49.07 76.79 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.117 0.484 . . . . 10.0 111.686 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -69.01 -37.18 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.231 -175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1816 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.1 mm-40 -72.47 -32.81 66.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1817 ' ' ALA . . . . . 0.599 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -56.78 -17.31 8.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.26 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.72 -49.71 57.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.042 0.449 . . . . 10.0 110.234 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.2 m -106.5 -17.0 14.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.365 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1820 ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -84.9 -16.17 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.654 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.2 -30.12 2.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.456 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.638 -1.09 . . . . 10.0 111.894 177.198 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.32 138.22 46.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.659 0.384 . . . . 10.0 110.973 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -124.84 144.9 50.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.987 0.515 . . . . 10.0 110.688 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 13.6 tp -87.86 115.29 25.21 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.182 0.301 . . . . 10.0 110.318 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 315' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.05 162.16 36.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 123.973 0.795 . . . . 10.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 316' ' ' LYS . . . . . 0.703 ' HD3' ' HB3' ' B' ' 325' ' ' LEU . 98.5 mttt -123.39 139.99 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.782 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -121.19 139.5 53.28 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.39 139.27 42.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 25.3 ttt -104.18 144.31 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.472 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -64.09 139.29 58.75 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.97 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 110.34 -43.09 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.488 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -126.51 179.91 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 10.0 110.437 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 323' ' ' ASN . . . . . 0.575 ' HB3' ' HB3' ' A' 1770 ' ' GLU . 0.1 OUTLIER -140.51 93.1 2.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.514 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 324' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' B' ' 324' ' ' LYS . 28.9 tptt -153.83 138.82 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.005 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.703 ' HB3' ' HD3' ' B' ' 316' ' ' LYS . 55.8 mt -86.28 123.33 31.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 9.5 m -124.3 147.07 53.81 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.055 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 138.72 66.09 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.811 2.341 . . . . 10.0 113.215 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -147.08 147.03 30.19 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.75 0.42 . . . . 10.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 58.5 mt -101.43 135.7 42.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.596 0.358 . . . . 10.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 22.4 tp -125.1 117.66 24.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.542 0.337 . . . . 10.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.77 120.33 6.81 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-O 119.659 -0.523 . . . . 10.0 112.021 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.23 133.42 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 117.085 0.442 . . . . 10.0 110.623 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 75.7 p -126.16 175.66 7.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.862 0.465 . . . . 10.0 110.111 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -74.16 -10.36 59.54 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -112.35 -41.5 3.88 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 75.7 m -150.88 161.35 42.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 19.2 t -107.52 140.06 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.18 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -145.24 151.73 38.85 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 339' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -108.1 129.5 55.15 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.587 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' VAL . . . . . . . . . . . . . 42.1 t -112.73 138.6 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.941 0.496 . . . . 10.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.39 131.71 35.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.428 0.291 . . . . 10.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.93 -31.54 72.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.45 -51.04 7.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.248 0.833 . . . . 10.0 113.248 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 47.2 p -87.05 -19.92 27.92 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 345' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 61.54 43.6 10.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.249 0.62 . . . . 10.0 111.791 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.65 160.31 38.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 10.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 23.4 t -85.62 132.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.498 0.319 . . . . 10.0 110.436 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.5 -57.49 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 122.526 0.33 . . . . 10.0 110.233 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -143.94 149.97 37.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.739 0.415 . . . . 10.0 110.682 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -137.71 156.16 48.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.073 0.398 . . . . 10.0 112.073 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 351' ' ' TRP . . . . . . . . . . . . . 21.8 m-90 -130.03 152.43 49.5 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.286 0.634 . . . . 10.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 68.0 m -82.46 150.38 27.07 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 122.907 0.129 . . . . 10.0 110.83 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.33 -35.79 76.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 40.4 p -79.44 -12.55 59.89 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -13.71 53.32 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.455 0.57 . . . . 10.0 112.498 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.86 134.4 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 117.976 0.353 . . . . 10.0 110.312 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.65 -62.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.39 0.431 . . . . 10.0 111.482 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 358' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' B' ' 369' ' ' ASP . 14.1 ptt180 -135.57 165.57 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.252 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 43.3 p90 -153.36 144.93 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.309 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -107.87 121.81 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -97.89 94.81 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.779 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 362' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' B' ' 365' ' ' SER . 68.9 m -102.64 157.47 33.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.94 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.77 -31.1 94.39 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.785 2.323 . . . . 10.0 113.258 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -119.77 -42.53 2.62 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 365' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' B' ' 362' ' ' SER . 8.2 t -98.85 168.66 9.98 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -151.14 102.76 2.97 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.075 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 367' ' ' THR . . . . . . . . . . . . . 7.4 m -86.18 121.39 28.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.592 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.27 127.23 53.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.049 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 369' ' ' ASP . . . . . 0.588 ' HB3' ' HG3' ' B' ' 358' ' ' ARG . 25.9 t70 -111.82 126.61 55.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.253 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -111.28 150.49 29.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -79.7 -103.25 0.26 Allowed Glycine 0 C--N 1.35 1.32 0 CA-C-O 119.821 -0.433 . . . . 10.0 112.988 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.77 70.1 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.94 0.4 . . . . 10.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -152.02 -55.54 0.13 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.107 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -105.14 130.86 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.53 0.519 . . . . 10.0 111.308 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -86.73 -36.65 18.52 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.741 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 376' ' ' GLY . . . . . 0.401 ' HA2' HD21 ' A' 1680 ' ' LEU . . . -86.07 -155.13 25.5 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.622 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 377' ' ' TYR . . . . . 0.47 ' HD2' HD12 ' A' 1680 ' ' LEU . 0.7 OUTLIER -123.47 149.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -129.81 104.63 7.51 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.244 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 20.6 p -133.64 115.28 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 15.9 m -118.73 164.9 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.774 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 381' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -92.84 117.38 29.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.258 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 13.0 t -117.06 144.53 44.53 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 35.0 p -85.72 -29.85 23.59 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.87 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -121.41 69.0 0.9 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 122.92 0.488 . . . . 10.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -67.75 -33.64 80.91 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 116.028 -0.533 . . . . 10.0 114.204 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.36 -34.49 74.66 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 117.239 0.52 . . . . 10.0 111.728 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.6 -38.41 70.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.58 0.352 . . . . 10.0 111.579 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.9 -41.84 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.186 0.194 . . . . 10.0 110.927 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.03 98.4 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -69.55 -33.36 72.66 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.636 0.374 . . . . 10.0 111.715 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.87 -41.87 82.17 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.758 0.423 . . . . 10.0 112.006 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 392' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.82 -42.82 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.602 0.361 . . . . 10.0 110.811 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.13 95.38 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.95 -37.71 93.49 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 119.566 -0.574 . . . . 10.0 113.734 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -65.18 -36.28 83.71 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.587 0.693 . . . . 10.0 111.46 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 396' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.44 -36.91 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.76 -37.01 85.78 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.838 0.455 . . . . 10.0 112.003 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 38.1 mt -69.43 -37.77 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.551 0.34 . . . . 10.0 111.365 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 47.2 mt -68.48 -40.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.533 0.333 . . . . 10.0 111.293 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.87 -34.32 77.67 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.981 -0.448 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1650 ' ' ILE . . . . . 0.407 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.4 tp -122.55 132.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.99 0.424 . . . . 10.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.59 109.17 41.78 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.498 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1652 ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' 1650 ' ' ILE . 91.8 Cg_endo -94.77 10.53 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.132 2.555 . . . . 10.0 111.959 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1653 ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' 1654 ' ' THR . 61.1 m-85 -113.05 -90.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.358 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1654 ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' 1653 ' ' PHE . 14.6 t 171.8 35.6 0.0 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1655 ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -146.5 147.46 30.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 10.0 111.58 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.69 -18.14 42.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.565 2.176 . . . . 10.0 111.928 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -60.78 -35.53 90.15 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.591 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1658 ' ' GLN . . . . . 0.442 ' OE1' ' HB3' ' A' 1655 ' ' ALA . 15.6 mp0 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 10.0 110.781 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.48 -46.32 90.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1660 ' ' GLU . . . . . 0.493 ' H ' ' HG2' ' A' 1660 ' ' GLU . 0.1 OUTLIER -64.67 -50.63 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.672 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1661 ' ' CYS . . . . . 0.49 ' O ' HG13 ' A' 1665 ' ' ILE . 63.7 m -59.02 -53.04 62.84 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1662 ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' 1665 ' ' ILE . 22.8 tt0 -58.46 -39.21 79.3 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 25.6 m -66.29 -39.32 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.993 0.425 . . . . 10.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.73 -34.13 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.253 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1665 ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' 1662 ' ' GLU . 94.7 mt -58.33 -49.03 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.718 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.2 77.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.12 -49.75 26.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.42 -41.95 99.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.46 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1669 ' ' ASN . . . . . 0.474 HD22 HD21 ' A' 1773 ' ' LEU . 21.1 t-20 -59.48 -34.97 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 10.0 110.478 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 67.4 m -65.27 -42.78 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.024 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 71.8 m -68.77 -33.25 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.646 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1672 ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' 1672 ' ' LEU . 0.3 OUTLIER -62.44 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.133 178.816 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1673 ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.5 mtt180 -62.72 -40.78 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.813 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.09 -50.18 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.5 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1675 ' ' LEU . . . . . 0.567 HD12 HG23 ' A' 1742 ' ' THR . 0.5 OUTLIER -65.9 -35.1 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.04 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1676 ' ' ASP . . . . . 0.687 ' HA ' ' HE2' ' A' 1766 ' ' LYS . 31.2 t70 -59.7 -34.09 72.44 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.459 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -95.71 -22.53 17.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.536 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.52 85.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.78 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1679 ' ' SER . . . . . 0.652 ' HA ' HD21 ' A' 1762 ' ' LEU . 1.5 m -59.78 -32.63 70.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.152 0.501 . . . . 10.0 111.05 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 19.1 mt -83.15 -36.4 24.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.505 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.09 65.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.507 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -59.36 -52.9 63.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.625 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1683 ' ' VAL . . . . . 0.466 ' HB ' ' HE2' ' B' ' 377' ' ' TYR . 8.3 p -65.47 -25.96 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 10.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.3 t -84.32 -2.64 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.682 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 63.76 28.84 14.9 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.552 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -99.67 27.72 5.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1687 ' ' LEU . . . . . 0.416 ' HB3' ' HB3' ' A' 1750 ' ' SER . 0.1 OUTLIER -133.35 132.21 41.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.181 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1688 ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.08 137.79 79.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.695 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1689 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 34.2 Cg_exo -63.11 98.41 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.733 2.289 . . . . 10.0 111.663 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1690 ' ' ARG . . . . . . . . . . . . 0.283 0.3 OUTLIER 52.64 -177.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 -50.19 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1692 ' ' GLY . . . . . 0.402 ' H ' ' H ' ' A' 1693 ' ' ILE . . . -169.13 -0.5 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.269 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1693 ' ' ILE . . . . . 0.402 ' H ' ' H ' ' A' 1692 ' ' GLY . 16.1 tt -79.91 145.19 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 10.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 2.0 m -78.93 166.58 22.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.537 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1695 ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' 1698 ' ' LEU . 29.0 tp60 -59.56 -53.73 54.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.771 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -69.5 -37.28 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.84 63.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.897 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1698 ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' 1748 ' ' ALA . 11.2 mt -61.26 -47.85 84.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.11 -49.74 76.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.077 -0.965 . . . . 10.0 110.599 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -42.01 99.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.735 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.92 -53.17 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1702 ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.53 -45.37 88.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.64 -45.13 95.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 29.2 m -65.78 -46.33 79.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.648 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1705 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.748 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1706 ' ' VAL . . . . . . . . . . . . . 32.6 t -57.48 -44.96 85.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.79 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -61.3 -40.53 94.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.251 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.16 -47.52 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.264 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1709 ' ' ILE . . . . . 0.538 ' O ' HG13 ' A' 1713 ' ' ILE . 97.9 mt -60.12 -46.53 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.36 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1710 ' ' SER . . . . . 0.618 ' HA ' HD12 ' A' 1713 ' ' ILE . 4.3 p -66.34 -28.35 68.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 10.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -69.27 -39.49 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.093 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1712 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1709 ' ' ILE . 3.5 pp -84.66 -11.64 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1713 ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' 1710 ' ' SER . 19.2 mt -57.73 -51.04 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.643 0.259 . . . . 10.0 111.562 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1714 ' ' GLU . . . . . 0.725 ' HB2' ' HD3' ' A' 1715 ' ' PRO . 33.7 mt-10 -59.07 -55.38 46.93 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.795 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1715 ' ' PRO . . . . . 0.725 ' HD3' ' HB2' ' A' 1714 ' ' GLU . 51.3 Cg_exo -59.27 -25.26 77.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.53 2.153 . . . . 10.0 112.472 178.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1716 ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' 1730 ' ' LYS . 1.1 tt -75.5 -38.86 59.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1717 ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -59.15 -39.81 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.459 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 39.1 t -69.08 -38.19 78.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.238 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1719 ' ' ALA . . . . . 0.776 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -69.58 -41.47 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -69.46 1.12 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1721 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 1717 ' ' ALA . 7.8 ptp180 -138.73 8.41 2.57 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.781 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -165.57 -59.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1723 ' ' GLU . . . . . 0.776 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 26.8 mt-10 -73.93 86.23 1.77 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.763 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1724 ' ' ALA . . . . . 0.726 ' HB2' ' HA2' ' A' 1784 ' ' GLY . . . -69.38 -44.91 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.424 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 -43.74 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.915 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1726 ' ' GLN . . . . . 0.745 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 8.6 mt-30 -72.8 -16.93 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.879 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.97 -43.75 77.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.4 94.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.856 -0.687 . . . . 10.0 112.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1729 ' ' HIS . . . . . 0.553 ' ND1' ' HA ' ' A' 1726 ' ' GLN . 40.1 m80 -66.58 -42.54 86.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.793 0.33 . . . . 10.0 110.624 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1730 ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' 1726 ' ' GLN . 16.0 mmtp -65.95 -43.68 87.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 79.0 t -63.18 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 51.8 m -56.44 -44.61 80.61 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.902 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1733 ' ' GLN . . . . . 0.425 ' HB3' HD22 ' A' 1712 ' ' LEU . 77.0 mt-30 -62.58 -43.44 98.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1734 ' ' MET . . . . . . . . . . . . . 37.7 ttm -64.37 -48.28 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.653 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.17 70.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 10.0 112.975 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.29 -12.69 61.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.97 -22.81 14.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.108 0.411 . . . . 10.0 112.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1738 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.49 -32.04 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.796 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1739 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1740 ' ' PRO . 42.7 tt0 -60.52 -57.3 27.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1740 ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' 1739 ' ' GLU . 18.4 Cg_endo -58.39 -34.38 98.65 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.115 1.877 . . . . 10.0 111.608 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1741 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -43.48 84.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.887 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1742 ' ' THR . . . . . 0.567 HG23 HD12 ' A' 1675 ' ' LEU . 63.4 m -60.91 -49.33 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.034 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.762 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -64.28 -46.99 81.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.757 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1745 ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' 1765 ' ' THR . . . -58.15 -47.27 83.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 10.0 111.209 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1746 ' ' VAL . . . . . . . . . . . . . 62.8 t -64.91 -44.87 96.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.723 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -67.88 -33.23 79.18 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.156 -0.545 . . . . 10.0 113.236 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1748 ' ' ALA . . . . . 0.592 ' HB2' HD22 ' A' 1698 ' ' LEU . . . -70.03 -34.64 73.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.625 0.25 . . . . 10.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.81 74.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.933 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1750 ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 2.2 p -88.06 -0.57 57.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 51.3 tttp -116.12 -45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.346 . . . . 10.0 111.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.4 106.99 17.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.47 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 26.2 tp -126.11 12.61 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.454 0.645 . . . . 10.0 109.757 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -32.77 70.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.526 -0.761 . . . . 10.0 112.539 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -138.09 156.58 73.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 122.287 -0.258 . . . . 10.0 111.625 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.73 -11.62 27.45 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.961 2.44 . . . . 10.0 112.105 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -63.57 -14.4 51.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.923 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -54.34 -45.38 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.393 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.1 mmt -78.96 -25.18 43.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.112 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1760 ' ' ALA . . . . . 0.621 ' HB2' ' HB1' ' B' ' 360' ' ' ALA . . . -65.96 -56.39 11.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.889 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1761 ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.05 -32.23 71.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1762 ' ' LEU . . . . . 0.652 HD21 ' HA ' ' A' 1679 ' ' SER . 27.6 tp -65.2 -49.38 69.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.469 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.31 -39.56 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.86 -47.22 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.158 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1765 ' ' THR . . . . . 0.431 HG21 ' HB2' ' A' 1745 ' ' ALA . 14.8 m -66.65 -36.79 83.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1766 ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' 1676 ' ' ASP . 28.3 tttm -61.11 -51.96 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.392 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 10.5 m -62.74 -31.75 72.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.701 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.93 -46.14 89.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.11 85.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.937 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1770 ' ' GLU . . . . . 0.782 ' HB3' ' HB3' ' B' ' 323' ' ' ASN . 39.4 mt-10 -62.05 -40.57 96.22 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.024 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 15.0 m -68.41 -38.06 80.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.573 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.51 87.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.09 0.472 . . . . 10.0 110.316 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1773 ' ' LEU . . . . . 0.474 HD21 HD22 ' A' 1669 ' ' ASN . 29.2 tp -62.05 -38.73 89.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.761 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -31.33 68.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.188 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1775 ' ' LEU . . . . . 0.414 HD11 HD22 ' A' 1716 ' ' LEU . 2.0 tm? -66.26 -42.13 88.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.57 -35.11 79.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.437 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -63.36 -38.39 90.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.027 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -38.26 29.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.979 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.0 72.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.12 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1780 ' ' LYS . . . . . 0.525 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 9.9 ttpt -73.32 -8.13 54.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.377 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1781 ' ' GLU . . . . . 0.727 ' HB2' HG21 ' A' 1792 ' ' THR . 58.5 mt-10 -107.79 -56.11 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.022 0.439 . . . . 10.0 111.427 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -81.36 -8.94 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -70.18 94.18 0.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.991 -0.623 . . . . 10.0 112.864 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1784 ' ' GLY . . . . . 0.726 ' HA2' ' HB2' ' A' 1724 ' ' ALA . . . 117.39 -43.71 1.58 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.732 -0.746 . . . . 10.0 113.456 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -134.87 110.51 11.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 117.058 0.429 . . . . 10.0 111.777 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -83.6 -6.93 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.737 2.291 . . . . 10.0 112.919 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -78.68 -50.81 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 10.0 111.328 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -76.31 -6.98 53.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.162 0.506 . . . . 10.0 110.817 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1789 ' ' ALA . . . . . 0.613 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -126.61 47.86 2.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.145 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.49 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.507 -0.769 . . . . 10.0 111.338 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -29.98 68.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.052 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1792 ' ' THR . . . . . 0.727 HG21 ' HB2' ' A' 1781 ' ' GLU . 3.5 m -66.23 -22.56 66.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.811 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1793 ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -59.75 -42.91 94.29 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 121.201 0.524 . . . . 10.0 109.7 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -84.32 -30.29 25.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.601 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1795 ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' 1792 ' ' THR . . . -66.86 -32.61 74.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.473 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.3 -38.61 87.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.082 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1797 ' ' GLU . . . . . 0.423 ' HA ' HG12 ' A' 1800 ' ' VAL . 11.1 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.707 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.13 -11.81 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.583 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.3 5.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.314 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1800 ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' 1797 ' ' GLU . 14.6 p -66.51 -42.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.043 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.8 -28.22 63.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.912 0.387 . . . . 10.0 111.315 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 24.0 ttt -68.46 -29.06 67.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.165 0.507 . . . . 10.0 109.737 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1803 ' ' MET . . . . . . . . . . . . . 55.0 mtp -70.25 -47.16 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.08 74.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.516 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.96 -50.22 71.39 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.461 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -70.47 -38.36 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1807 ' ' VAL . . . . . . . . . . . . . 41.1 t -55.81 -52.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.277 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.31 -43.69 96.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.757 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.78 -44.56 93.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.0 -36.0 82.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 63.0 m -58.15 -40.81 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -43.04 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 10.0 110.586 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -35.27 78.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.528 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -46.86 71.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -38.24 85.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.972 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.16 -24.29 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.795 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -64.13 -23.84 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.43 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.21 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 3.7 m -131.43 25.61 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.662 0.268 . . . . 10.0 111.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -146.48 8.09 1.01 Allowed 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -104.96 -79.41 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 10.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.533 -1.149 . . . . 10.0 111.553 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.486 0.184 . . . . 10.0 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.76 120.62 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 10.0 110.748 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.77 143.27 46.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 58.5 tp -85.68 126.23 33.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 315' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' B' ' 382' ' ' THR . 16.4 m -132.69 153.76 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 10.0 111.502 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 316' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' B' ' 325' ' ' LEU . 85.7 mttt -109.45 120.08 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.73 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' B' ' 325' ' ' LEU . 7.9 mt-10 -94.94 170.13 9.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 10.0 112.098 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -148.36 151.77 35.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 21.6 ttt -124.68 144.59 50.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -67.32 99.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.58 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 144.0 -60.72 0.51 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.499 -1.04 . . . . 10.0 110.499 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -104.21 97.35 7.32 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 323' ' ' ASN . . . . . 0.782 ' HB3' ' HB3' ' A' 1770 ' ' GLU . 0.7 OUTLIER -69.36 86.08 0.42 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.19 -0.914 . . . . 10.0 111.775 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 324' ' ' LYS . . . . . 0.471 ' HA ' ' HD2' ' B' ' 324' ' ' LYS . 24.2 tptt -157.3 148.94 22.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.2 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 325' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' B' ' 316' ' ' LYS . 89.3 mt -91.79 131.49 37.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.894 0.378 . . . . 10.0 111.941 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 5.9 m -119.29 137.43 25.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.331 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.99 128.7 15.24 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.0 2.467 . . . . 10.0 113.26 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 328' ' ' ARG . . . . . 0.765 ' HD2' ' HA ' ' B' ' 341' ' ' ASP . 16.0 tpp180 -136.31 164.84 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.408 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 329' ' ' LEU . . . . . 0.452 ' H ' ' HG3' ' B' ' 328' ' ' ARG . 77.8 mt -112.15 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 10.0 110.995 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -102.97 117.83 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.87 103.5 2.76 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.043 -0.599 . . . . 10.0 111.745 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.57 124.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 10.0 110.951 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 48.4 p -116.91 -167.17 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 12.19 30.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 10.0 111.051 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.41 -52.63 0.6 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.52 142.0 45.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 33.7 t -94.62 108.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.755 -1.202 . . . . 10.0 107.755 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -95.98 127.74 42.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 339' ' ' ARG . . . . . 0.553 ' HB2' ' HZ3' ' B' ' 351' ' ' TRP . 37.0 ttt180 -88.34 100.19 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 340' ' ' VAL . . . . . 0.464 HG22 HG22 ' B' ' 347' ' ' VAL . 13.7 t -102.08 132.61 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.338 0.59 . . . . 10.0 112.044 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 341' ' ' ASP . . . . . 0.765 ' HA ' ' HD2' ' B' ' 328' ' ' ARG . 9.5 t0 -80.69 145.43 31.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.951 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -91.68 -18.74 23.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.729 0.3 . . . . 10.0 111.422 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -79.54 -57.86 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.149 0.499 . . . . 10.0 111.242 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.97 -12.21 33.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.478 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 345' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' B' ' 341' ' ' ASP . 30.7 mmtp 57.41 52.09 9.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.198 0.523 . . . . 10.0 111.323 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -133.71 153.33 51.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.702 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' VAL . . . . . 0.464 HG22 HG22 ' B' ' 340' ' ' VAL . 58.4 t -82.15 113.12 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 41.2 mt -72.75 -45.49 56.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.05 151.18 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.631 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -123.21 154.02 39.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 10.0 110.952 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 351' ' ' TRP . . . . . 0.553 ' HZ3' ' HB2' ' B' ' 339' ' ' ARG . 29.6 m-90 -116.24 136.91 52.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.652 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 142.0 47.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.55 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.44 -48.7 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 10.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 39.7 0.35 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.192 0.52 . . . . 10.0 111.73 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.86 -13.26 2.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.486 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 33.5 mt -69.28 134.32 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -102.91 -57.04 2.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.049 0.452 . . . . 10.0 111.336 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 358' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -152.34 163.31 39.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.937 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.19 144.18 33.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.082 0.468 . . . . 10.0 111.587 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 360' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' 1760 ' ' ALA . . . -109.48 102.51 11.38 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -92.8 94.91 9.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.363 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 362' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 365' ' ' SER . 43.5 m -98.86 167.25 11.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.0 -37.91 86.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.577 2.184 . . . . 10.0 113.107 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -120.48 -55.72 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 365' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' B' ' 362' ' ' SER . 3.5 m -77.66 138.49 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.304 0.573 . . . . 10.0 112.53 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -124.21 102.01 7.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.788 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 367' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' B' ' 360' ' ' ALA . 0.7 OUTLIER -89.05 122.68 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.803 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -108.45 129.63 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 10.0 111.091 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -120.37 129.02 53.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.7 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -118.95 169.22 10.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.357 . . . . 10.0 111.33 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -82.25 -137.8 2.69 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.546 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.8 87.63 5.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 10.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -167.5 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -92.36 147.03 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -54.79 6.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.481 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 376' ' ' GLY . . . . . . . . . . . . . . . -120.14 -126.92 3.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.483 -0.865 . . . . 10.0 112.719 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 377' ' ' TYR . . . . . 0.466 ' HE2' ' HB ' ' A' 1683 ' ' VAL . 2.6 m-85 -123.43 162.43 22.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.68 0.276 . . . . 10.0 111.365 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -139.48 101.37 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.827 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 124.34 44.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.388 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.63 170.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.219 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 381' ' ' GLN . . . . . 0.402 ' HB3' ' HB2' ' B' ' 316' ' ' LYS . 37.0 tt0 -106.61 131.71 53.45 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 382' ' ' THR . . . . . 0.572 ' HB ' HG12 ' B' ' 315' ' ' VAL . 14.2 t -154.13 141.76 19.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.521 . . . . 10.0 110.657 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -25.83 59.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.586 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 384' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' B' ' 387' ' ' GLN . 41.7 mt-10 -106.1 41.54 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -60.17 -40.17 96.89 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.314 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -39.95 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 10.0 111.238 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 387' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' B' ' 384' ' ' GLU . 21.3 mp0 -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.626 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.27 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.64 -38.56 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.42 -46.36 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.319 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 392' ' ' ILE . . . . . 0.411 ' O ' HG13 ' B' ' 396' ' ' ILE . 96.5 mt -61.63 -46.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.413 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.99 73.48 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.356 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -69.04 -35.0 77.49 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.577 . . . . 10.0 112.09 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.31 -30.99 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 10.0 111.044 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 396' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 392' ' ' ILE . 78.8 mt -63.89 -31.63 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 10.0 109.716 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.04 -28.46 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.858 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.04 -38.51 72.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.092 0.472 . . . . 10.0 109.828 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 32.6 mt -69.83 -37.08 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.92 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.96 52.75 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.5 tptt . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.669 -0.681 . . . . 10.0 110.441 -179.511 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.143 -0.383 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1650 ' ' ILE . . . . . 0.464 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.5 tp -111.21 148.39 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 122.598 -0.354 . . . . 10.0 110.082 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.93 98.21 14.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 110.27 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1652 ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' 1650 ' ' ILE . 92.7 Cg_endo -90.48 -0.52 5.28 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.661 2.241 . . . . 10.0 111.714 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1653 ' ' PHE . . . . . 0.698 ' CZ ' ' HA ' ' A' 1781 ' ' GLU . 95.9 m-85 -102.09 -90.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.047 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1654 ' ' THR . . . . . 0.602 ' HB ' ' O ' ' A' 1653 ' ' PHE . 12.8 t 171.2 29.19 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -175.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.16 159.8 31.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 119.766 -0.774 . . . . 10.0 112.248 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.93 144.93 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.484 2.123 . . . . 10.0 110.313 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.44 -39.73 2.8 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.212 -0.994 . . . . 10.0 111.674 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . 0.476 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.5 mp0 -51.54 -43.33 62.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.074 0.464 . . . . 10.0 110.023 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.13 -56.35 19.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -59.04 -38.33 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.989 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.437 ' O ' HG13 ' A' 1665 ' ' ILE . 81.3 m -67.66 -42.74 81.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.963 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.93 -34.77 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 10.0 110.731 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.1 p -68.7 -36.79 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.025 0.44 . . . . 10.0 110.601 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.22 65.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.531 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' 1661 ' ' CYS . 11.8 mt -55.95 -39.8 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.777 175.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.49 94.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.111 0.482 . . . . 10.0 111.274 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.08 -46.53 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.275 0.559 . . . . 10.0 110.723 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . 0.538 HD12 ' SG ' ' A' 1671 ' ' CYS . 21.1 tp -64.0 -37.45 87.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.331 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.4 t-20 -60.89 -39.12 88.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.415 0.626 . . . . 10.0 109.488 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.9 t -64.21 -38.18 90.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.055 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . 0.538 ' SG ' HD12 ' A' 1668 ' ' LEU . 1.8 p -80.36 -21.32 42.51 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.47 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' 1672 ' ' LEU . 0.2 OUTLIER -68.57 -43.77 75.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.975 0.417 . . . . 10.0 110.254 174.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.51 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.47 -48.03 82.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.369 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.03 -28.1 66.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.462 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . 0.732 ' HA ' ' HE2' ' A' 1766 ' ' LYS . 30.2 t70 -69.51 -40.37 77.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -86.41 -15.31 40.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' 1681 ' ' ALA . . . -80.2 -16.78 54.05 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.129 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . . . . . . . . . 39.8 t -67.34 -37.06 82.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.733 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . 0.47 HD12 ' HD2' ' B' ' 377' ' ' TYR . 1.2 tp -98.34 -14.77 20.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.762 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 1678 ' ' ALA . . . -76.02 -44.29 40.08 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.19 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 9.5 p -81.9 -17.18 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . 0.703 ' HB3' HE21 ' A' 1686 ' ' GLN . 8.4 t -103.28 14.85 30.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.084 0.469 . . . . 10.0 110.441 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 60.41 29.78 19.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.873 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . 0.703 HE21 ' HB3' ' A' 1684 ' ' SER . 49.6 mt-30 -103.34 15.06 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.822 0.344 . . . . 10.0 110.956 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.24 140.46 49.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.762 -0.458 . . . . 10.0 109.762 -176.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.41 ' N ' HD13 ' A' 1687 ' ' LEU . . . -85.65 140.0 35.65 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.924 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.28 110.7 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.153 2.568 . . . . 10.0 112.887 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . 0.965 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.4 ppt_? 41.03 -172.19 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.112 1.365 . . . . 10.0 114.678 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . 0.547 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.35 -47.76 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.27 176.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . 0.55 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.54 69.17 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.4 tt -164.71 156.45 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.631 0.215 . . . . 10.0 110.698 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . 0.481 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.5 p -88.03 -175.28 5.03 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.667 0.27 . . . . 10.0 111.256 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -77.14 -50.4 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -25.6 60.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.958 0.409 . . . . 10.0 110.416 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.96 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.394 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.0 mt -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 173.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -55.43 -39.05 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.978 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -65.83 -58.54 5.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 10.0 111.06 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.17 78.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.67 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . 0.578 ' O ' HG23 ' A' 1706 ' ' VAL . 70.0 mtp -66.69 -50.55 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.099 -174.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.736 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 45.4 m -59.8 -41.73 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 10.0 110.628 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.78 -50.31 65.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.958 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' 1702 ' ' MET . 96.3 t -54.23 -47.79 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.689 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.09 -49.73 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.442 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.32 -27.09 65.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.596 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.716 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.36 -57.89 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 172.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.541 ' HA ' HD12 ' A' 1713 ' ' ILE . 42.1 t -53.19 -40.25 64.27 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.325 0.583 . . . . 10.0 110.253 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.31 -41.17 65.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.762 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.843 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.91 -17.48 25.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.821 -177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.716 HG13 ' O ' ' A' 1709 ' ' ILE . 63.9 mt -60.66 -44.66 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.567 0.222 . . . . 10.0 110.731 -177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.413 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.2 mt-10 -62.38 -54.33 49.9 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.609 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.417 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.4 Cg_endo -60.24 -26.81 83.52 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.141 1.894 . . . . 10.0 112.836 176.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.831 HD13 ' HE3' ' A' 1734 ' ' MET . 6.7 tt -73.14 -41.64 63.73 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.429 -0.509 . . . . 10.0 109.734 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.14 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.075 0.464 . . . . 10.0 110.345 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.74 -36.61 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.593 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.76 -43.73 53.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.626 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.39 70.97 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.513 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -86.07 -14.31 44.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.54 0.571 . . . . 10.0 112.54 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.61 -53.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.465 0.913 . . . . 10.0 113.465 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.721 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 36.1 mt-10 -71.33 85.56 0.8 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.474 -0.141 . . . . 10.0 111.074 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.635 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.0 -47.71 67.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 10.0 111.447 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.9 p -73.51 -18.23 61.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.461 . . . . 10.0 111.113 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.721 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.3 mt-30 -96.2 -31.98 12.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.86 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' 1731 ' ' VAL . 26.1 tp -51.66 -49.53 62.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.119 -0.946 . . . . 10.0 111.798 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.96 56.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.305 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.97 -37.2 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.773 0.32 . . . . 10.0 110.809 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.7 mmtp -69.49 -42.87 74.22 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' 1727 ' ' LEU . 96.4 t -59.66 -44.4 93.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.958 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.7 m -53.51 -43.71 68.52 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.473 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.65 -46.63 65.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.401 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . 0.843 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.0 ttm -63.19 -43.43 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.762 0.315 . . . . 10.0 111.445 -174.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.108 0.48 . . . . 10.0 111.305 -173.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.88 -35.59 74.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.644 -174.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -71.16 -28.46 64.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.502 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.46 -23.24 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.404 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.12 -58.09 17.81 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.54 -0.464 . . . . 10.0 111.41 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.9 Cg_endo -59.54 -34.05 96.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.69 1.593 . . . . 10.0 112.176 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.17 -48.07 81.44 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.679 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.635 ' O ' HG23 ' A' 1746 ' ' VAL . 79.7 m -56.2 -55.53 32.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.236 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . 0.547 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.66 -48.58 74.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.065 0.459 . . . . 10.0 111.154 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . 0.471 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -64.57 -41.09 96.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.113 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.79 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.889 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' 1742 ' ' THR . 43.3 t -63.81 -34.42 67.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.215 0.531 . . . . 10.0 109.596 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . 0.965 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.72 -56.03 27.15 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.971 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.402 ' HB2' HD13 ' A' 1698 ' ' LEU . . . -57.43 -36.42 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.568 0.223 . . . . 10.0 111.105 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' 1762 ' ' LEU . . . -53.33 -57.85 9.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 10.0 111.726 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' 1687 ' ' LEU . 35.9 t -82.5 -22.79 34.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.638 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.6 tttp -91.44 -40.91 11.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.614 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 3.9 m -83.51 138.12 33.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 110.659 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 17.3 tp -157.45 27.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 10.0 110.604 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1754 ' ' SER . . . . . . . . . . . . . 24.5 m -88.92 -56.91 3.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.87 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 57.0 m80 -114.31 163.58 18.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.319 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.05 -3.16 9.22 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.276 2.651 . . . . 10.0 112.806 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.96 -6.55 46.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.071 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.45 -46.31 90.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 26.5 mmt -88.59 -12.12 43.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.498 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.74 25.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.07 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . 0.441 ' HB3' HG21 ' A' 1813 ' ' THR . 4.2 pp -72.77 -27.37 61.97 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.225 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' 1749 ' ' ALA . 51.0 tp -66.35 -32.97 74.68 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.441 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.48 -31.25 24.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.502 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' 1768 ' ' LEU . 89.1 mt-30 -68.33 -22.49 64.69 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.718 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . . . . . . . . . 40.4 m -94.51 -29.61 14.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.677 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.732 ' HE2' ' HA ' ' A' 1676 ' ' ASP . 58.0 tttm -68.0 -48.0 66.98 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.505 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 4.1 m -76.77 -15.51 59.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' 1764 ' ' GLN . 53.4 tp -76.81 -37.07 56.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.247 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.575 ' HB3' ' HB3' ' B' ' 323' ' ' ASN . 27.8 mt-10 -70.96 -37.84 72.79 Favored 'General case' 0 C--N 1.337 0.036 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.408 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 68.7 m -69.95 -27.0 64.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.847 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -78.37 -25.28 46.24 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.718 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 38.7 tp -73.14 -45.37 57.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . 0.407 ' HB2' ' OD1' ' B' ' 323' ' ' ASN . 8.6 tp-100 -67.61 -25.19 65.64 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.501 HD11 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -67.06 -53.45 30.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.137 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.44 -16.88 64.45 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.641 0.258 . . . . 10.0 111.12 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -70.31 -53.69 15.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 111.198 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.5 p -70.9 -33.36 70.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.113 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.7 -30.74 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.15 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.89 -37.53 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.284 0.564 . . . . 10.0 110.212 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.698 ' HA ' ' CZ ' ' A' 1653 ' ' PHE . 75.4 mt-10 -73.25 -53.82 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.431 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.45 55.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.588 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.02 0.03 OUTLIER Glycine 0 C--N 1.33 0.225 0 O-C-N 123.963 0.789 . . . . 10.0 114.695 -168.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 76.74 1.51 72.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.286 -0.457 . . . . 10.0 112.97 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.5 t30 -139.81 95.43 8.74 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 10.0 111.123 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.23 -15.49 31.71 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.813 2.342 . . . . 10.0 112.427 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' 1787 ' ' LYS . 0.9 OUTLIER -73.57 -61.43 1.83 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -172.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.6 25.03 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.29 0.567 . . . . 10.0 110.717 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.827 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.24 35.16 1.09 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.458 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.78 -49.94 67.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.737 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -82.25 -24.11 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 10.0 110.183 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.827 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 22.0 m -63.94 -27.84 69.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.833 177.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.97 -37.1 71.12 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.546 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -85.13 -28.17 25.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.392 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -73.83 -28.54 61.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.501 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.6 -30.0 67.65 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.77 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.403 ' HA ' HG12 ' A' 1800 ' ' VAL . 30.1 mm-40 -77.04 -19.79 56.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.696 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' 1802 ' ' MET . 41.2 mt-10 -87.68 -22.12 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.538 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -86.67 -32.65 20.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.184 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' 1797 ' ' GLU . 12.0 p -75.36 -37.22 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.974 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -76.39 -20.29 57.3 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.867 0.365 . . . . 10.0 111.084 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' 1798 ' ' GLU . 18.8 ttt -79.7 -29.23 40.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.973 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . 0.444 ' O ' HG23 ' A' 1807 ' ' VAL . 75.0 mtp -73.77 -49.48 25.22 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.339 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 10.9 t -64.23 -23.0 67.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.847 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.84 -37.85 87.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.647 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . 0.426 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -89.17 -19.93 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.336 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' 1803 ' ' MET . 42.3 t -69.87 -51.24 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.806 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -66.37 -31.1 71.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 10.7 t0 -75.52 -28.61 59.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.526 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . 0.46 HD23 HG21 ' A' 1706 ' ' VAL . 27.0 tp -75.48 -42.91 51.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.838 0.352 . . . . 10.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . 0.445 ' HA ' HD12 ' A' 1814 ' ' LEU . 19.2 m -57.98 -30.66 66.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.778 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1816 ' ' GLU . 25.5 m -62.96 -38.16 89.95 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.722 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . 0.441 HG21 ' HB3' ' A' 1761 ' ' LEU . 7.7 m -78.97 -33.79 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.57 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' 1811 ' ' THR . 95.4 mt -62.52 -49.07 76.79 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.117 0.484 . . . . 10.0 111.686 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -37.18 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.231 -175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.1 mm-40 -72.47 -32.81 66.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . 0.599 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -56.78 -17.31 8.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.26 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.72 -49.71 57.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.042 0.449 . . . . 10.0 110.234 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.2 m -106.5 -17.0 14.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.365 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -84.9 -16.17 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.654 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.2 -30.12 2.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.456 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.638 -1.09 . . . . 10.0 111.894 177.198 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.32 138.22 46.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.659 0.384 . . . . 10.0 110.973 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -124.84 144.9 50.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.987 0.515 . . . . 10.0 110.688 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 13.6 tp -87.86 115.29 25.21 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.182 0.301 . . . . 10.0 110.318 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 315' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.05 162.16 36.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 123.973 0.795 . . . . 10.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 316' ' ' LYS . . . . . 0.703 ' HD3' ' HB3' ' B' ' 325' ' ' LEU . 98.5 mttt -123.39 139.99 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.782 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -121.19 139.5 53.28 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.39 139.27 42.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 25.3 ttt -104.18 144.31 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.472 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -64.09 139.29 58.75 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.97 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 110.34 -43.09 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.488 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -126.51 179.91 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 10.0 110.437 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . 0.575 ' HB3' ' HB3' ' A' 1770 ' ' GLU . 0.1 OUTLIER -140.51 93.1 2.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.514 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 324' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' B' ' 324' ' ' LYS . 28.9 tptt -153.83 138.82 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.005 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.703 ' HB3' ' HD3' ' B' ' 316' ' ' LYS . 55.8 mt -86.28 123.33 31.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 9.5 m -124.3 147.07 53.81 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.055 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 138.72 66.09 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.811 2.341 . . . . 10.0 113.215 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -147.08 147.03 30.19 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.75 0.42 . . . . 10.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 58.5 mt -101.43 135.7 42.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.596 0.358 . . . . 10.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 22.4 tp -125.1 117.66 24.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.542 0.337 . . . . 10.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.77 120.33 6.81 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-O 119.659 -0.523 . . . . 10.0 112.021 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.23 133.42 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 117.085 0.442 . . . . 10.0 110.623 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 75.7 p -126.16 175.66 7.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.862 0.465 . . . . 10.0 110.111 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -74.16 -10.36 59.54 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -112.35 -41.5 3.88 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 75.7 m -150.88 161.35 42.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 19.2 t -107.52 140.06 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.18 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -145.24 151.73 38.85 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -108.1 129.5 55.15 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.587 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' VAL . . . . . . . . . . . . . 42.1 t -112.73 138.6 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.941 0.496 . . . . 10.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.39 131.71 35.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.428 0.291 . . . . 10.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.93 -31.54 72.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.45 -51.04 7.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.248 0.833 . . . . 10.0 113.248 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 47.2 p -87.05 -19.92 27.92 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 61.54 43.6 10.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.249 0.62 . . . . 10.0 111.791 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.65 160.31 38.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 10.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 23.4 t -85.62 132.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.498 0.319 . . . . 10.0 110.436 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.5 -57.49 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 122.526 0.33 . . . . 10.0 110.233 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -143.94 149.97 37.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.739 0.415 . . . . 10.0 110.682 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -137.71 156.16 48.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.073 0.398 . . . . 10.0 112.073 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' TRP . . . . . . . . . . . . . 21.8 m-90 -130.03 152.43 49.5 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.286 0.634 . . . . 10.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 68.0 m -82.46 150.38 27.07 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 122.907 0.129 . . . . 10.0 110.83 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.33 -35.79 76.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 40.4 p -79.44 -12.55 59.89 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -13.71 53.32 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.455 0.57 . . . . 10.0 112.498 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.86 134.4 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 117.976 0.353 . . . . 10.0 110.312 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.65 -62.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.39 0.431 . . . . 10.0 111.482 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' B' ' 369' ' ' ASP . 14.1 ptt180 -135.57 165.57 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.252 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 43.3 p90 -153.36 144.93 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.309 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -107.87 121.81 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -97.89 94.81 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.779 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' B' ' 365' ' ' SER . 68.9 m -102.64 157.47 33.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.94 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.77 -31.1 94.39 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.785 2.323 . . . . 10.0 113.258 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -119.77 -42.53 2.62 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 365' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' B' ' 362' ' ' SER . 8.2 t -98.85 168.66 9.98 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -151.14 102.76 2.97 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.075 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 367' ' ' THR . . . . . . . . . . . . . 7.4 m -86.18 121.39 28.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.592 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.27 127.23 53.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.049 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . 0.588 ' HB3' ' HG3' ' B' ' 358' ' ' ARG . 25.9 t70 -111.82 126.61 55.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.253 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -111.28 150.49 29.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -79.7 -103.25 0.26 Allowed Glycine 0 C--N 1.35 1.32 0 CA-C-O 119.821 -0.433 . . . . 10.0 112.988 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.77 70.1 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.94 0.4 . . . . 10.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -152.02 -55.54 0.13 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.107 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -105.14 130.86 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.53 0.519 . . . . 10.0 111.308 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -86.73 -36.65 18.52 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.741 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 376' ' ' GLY . . . . . 0.401 ' HA2' HD21 ' A' 1680 ' ' LEU . . . -86.07 -155.13 25.5 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.622 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 377' ' ' TYR . . . . . 0.47 ' HD2' HD12 ' A' 1680 ' ' LEU . 0.7 OUTLIER -123.47 149.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -129.81 104.63 7.51 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.244 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 20.6 p -133.64 115.28 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 15.9 m -118.73 164.9 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.774 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 381' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -92.84 117.38 29.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.258 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 13.0 t -117.06 144.53 44.53 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 35.0 p -85.72 -29.85 23.59 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.87 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -121.41 69.0 0.9 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 122.92 0.488 . . . . 10.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -67.75 -33.64 80.91 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 116.028 -0.533 . . . . 10.0 114.204 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.36 -34.49 74.66 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 117.239 0.52 . . . . 10.0 111.728 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.6 -38.41 70.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.58 0.352 . . . . 10.0 111.579 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.9 -41.84 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.186 0.194 . . . . 10.0 110.927 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.03 98.4 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -69.55 -33.36 72.66 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.636 0.374 . . . . 10.0 111.715 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.87 -41.87 82.17 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.758 0.423 . . . . 10.0 112.006 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 392' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.82 -42.82 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.602 0.361 . . . . 10.0 110.811 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.13 95.38 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.95 -37.71 93.49 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 119.566 -0.574 . . . . 10.0 113.734 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -65.18 -36.28 83.71 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.587 0.693 . . . . 10.0 111.46 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 396' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.44 -36.91 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.76 -37.01 85.78 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.838 0.455 . . . . 10.0 112.003 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 38.1 mt -69.43 -37.77 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.551 0.34 . . . . 10.0 111.365 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 47.2 mt -68.48 -40.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.533 0.333 . . . . 10.0 111.293 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.87 -34.32 77.67 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.981 -0.448 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1650 ' ' ILE . . . . . 0.407 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.4 tp -122.55 132.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.99 0.424 . . . . 10.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.59 109.17 41.78 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.498 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1652 ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' 1650 ' ' ILE . 91.8 Cg_endo -94.77 10.53 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.132 2.555 . . . . 10.0 111.959 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1653 ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' 1654 ' ' THR . 61.1 m-85 -113.05 -90.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.358 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1654 ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' 1653 ' ' PHE . 14.6 t 171.8 35.6 0.0 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1655 ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -146.5 147.46 30.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 10.0 111.58 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.69 -18.14 42.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.565 2.176 . . . . 10.0 111.928 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -60.78 -35.53 90.15 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.591 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1658 ' ' GLN . . . . . 0.442 ' OE1' ' HB3' ' A' 1655 ' ' ALA . 15.6 mp0 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 10.0 110.781 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.48 -46.32 90.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1660 ' ' GLU . . . . . 0.493 ' H ' ' HG2' ' A' 1660 ' ' GLU . 0.1 OUTLIER -64.67 -50.63 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.672 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1661 ' ' CYS . . . . . 0.49 ' O ' HG13 ' A' 1665 ' ' ILE . 63.7 m -59.02 -53.04 62.84 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1662 ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' 1665 ' ' ILE . 22.8 tt0 -58.46 -39.21 79.3 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1663 ' ' THR . . . . . . . . . . . . . 25.6 m -66.29 -39.32 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.993 0.425 . . . . 10.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.73 -34.13 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.253 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1665 ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' 1662 ' ' GLU . 94.7 mt -58.33 -49.03 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.718 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.2 77.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.12 -49.75 26.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.42 -41.95 99.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.46 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1669 ' ' ASN . . . . . 0.474 HD22 HD21 ' A' 1773 ' ' LEU . 21.1 t-20 -59.48 -34.97 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 10.0 110.478 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1670 ' ' SER . . . . . . . . . . . . . 67.4 m -65.27 -42.78 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.024 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 71.8 m -68.77 -33.25 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.646 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1672 ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' 1672 ' ' LEU . 0.3 OUTLIER -62.44 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.133 178.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1673 ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.5 mtt180 -62.72 -40.78 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.813 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.09 -50.18 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.5 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1675 ' ' LEU . . . . . 0.567 HD12 HG23 ' A' 1742 ' ' THR . 0.5 OUTLIER -65.9 -35.1 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.04 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1676 ' ' ASP . . . . . 0.687 ' HA ' ' HE2' ' A' 1766 ' ' LYS . 31.2 t70 -59.7 -34.09 72.44 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.459 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -95.71 -22.53 17.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.536 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.52 85.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.78 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1679 ' ' SER . . . . . 0.652 ' HA ' HD21 ' A' 1762 ' ' LEU . 1.5 m -59.78 -32.63 70.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.152 0.501 . . . . 10.0 111.05 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 19.1 mt -83.15 -36.4 24.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.505 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.09 65.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.507 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -59.36 -52.9 63.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.625 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1683 ' ' VAL . . . . . 0.466 ' HB ' ' HE2' ' B' ' 377' ' ' TYR . 8.3 p -65.47 -25.96 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 10.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.3 t -84.32 -2.64 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.682 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 63.76 28.84 14.9 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.552 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -99.67 27.72 5.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1687 ' ' LEU . . . . . 0.416 ' HB3' ' HB3' ' A' 1750 ' ' SER . 0.1 OUTLIER -133.35 132.21 41.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.181 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1688 ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.08 137.79 79.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.695 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1689 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 34.2 Cg_exo -63.11 98.41 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.733 2.289 . . . . 10.0 111.663 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1690 ' ' ARG . . . . . . . . . . . . 0.283 0.3 OUTLIER 52.64 -177.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 -50.19 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1692 ' ' GLY . . . . . 0.402 ' H ' ' H ' ' A' 1693 ' ' ILE . . . -169.13 -0.5 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.269 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1693 ' ' ILE . . . . . 0.402 ' H ' ' H ' ' A' 1692 ' ' GLY . 16.1 tt -79.91 145.19 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 10.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1694 ' ' SER . . . . . . . . . . . . . 2.0 m -78.93 166.58 22.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.537 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1695 ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' 1698 ' ' LEU . 29.0 tp60 -59.56 -53.73 54.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.771 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -69.5 -37.28 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.84 63.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.897 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1698 ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' 1748 ' ' ALA . 11.2 mt -61.26 -47.85 84.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.11 -49.74 76.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.077 -0.965 . . . . 10.0 110.599 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1700 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -42.01 99.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.735 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -53.17 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1702 ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.53 -45.37 88.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.64 -45.13 95.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1704 ' ' THR . . . . . . . . . . . . . 29.2 m -65.78 -46.33 79.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.648 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1705 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.748 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1706 ' ' VAL . . . . . . . . . . . . . 32.6 t -57.48 -44.96 85.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.79 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.3 -40.53 94.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.251 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.16 -47.52 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.264 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1709 ' ' ILE . . . . . 0.538 ' O ' HG13 ' A' 1713 ' ' ILE . 97.9 mt -60.12 -46.53 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.36 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1710 ' ' SER . . . . . 0.618 ' HA ' HD12 ' A' 1713 ' ' ILE . 4.3 p -66.34 -28.35 68.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 10.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -69.27 -39.49 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.093 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1712 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1709 ' ' ILE . 3.5 pp -84.66 -11.64 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1713 ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' 1710 ' ' SER . 19.2 mt -57.73 -51.04 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.643 0.259 . . . . 10.0 111.562 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1714 ' ' GLU . . . . . 0.725 ' HB2' ' HD3' ' A' 1715 ' ' PRO . 33.7 mt-10 -59.07 -55.38 46.93 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.795 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1715 ' ' PRO . . . . . 0.725 ' HD3' ' HB2' ' A' 1714 ' ' GLU . 51.3 Cg_exo -59.27 -25.26 77.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.53 2.153 . . . . 10.0 112.472 178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1716 ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' 1730 ' ' LYS . 1.1 tt -75.5 -38.86 59.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1717 ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -59.15 -39.81 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.459 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1718 ' ' SER . . . . . . . . . . . . . 39.1 t -69.08 -38.19 78.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.238 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1719 ' ' ALA . . . . . 0.776 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -69.58 -41.47 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -69.46 1.12 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1721 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 1717 ' ' ALA . 7.8 ptp180 -138.73 8.41 2.57 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.781 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -165.57 -59.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1723 ' ' GLU . . . . . 0.776 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 26.8 mt-10 -73.93 86.23 1.77 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.763 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1724 ' ' ALA . . . . . 0.726 ' HB2' ' HA2' ' A' 1784 ' ' GLY . . . -69.38 -44.91 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.424 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1725 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 -43.74 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.915 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1726 ' ' GLN . . . . . 0.745 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 8.6 mt-30 -72.8 -16.93 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.879 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.97 -43.75 77.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.4 94.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.856 -0.687 . . . . 10.0 112.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1729 ' ' HIS . . . . . 0.553 ' ND1' ' HA ' ' A' 1726 ' ' GLN . 40.1 m80 -66.58 -42.54 86.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.793 0.33 . . . . 10.0 110.624 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1730 ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' 1726 ' ' GLN . 16.0 mmtp -65.95 -43.68 87.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 79.0 t -63.18 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1732 ' ' SER . . . . . . . . . . . . . 51.8 m -56.44 -44.61 80.61 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.902 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1733 ' ' GLN . . . . . 0.425 ' HB3' HD22 ' A' 1712 ' ' LEU . 77.0 mt-30 -62.58 -43.44 98.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1734 ' ' MET . . . . . . . . . . . . . 37.7 ttm -64.37 -48.28 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.653 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.17 70.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 10.0 112.975 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.29 -12.69 61.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.97 -22.81 14.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.108 0.411 . . . . 10.0 112.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1738 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.49 -32.04 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.796 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1739 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1740 ' ' PRO . 42.7 tt0 -60.52 -57.3 27.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1740 ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' 1739 ' ' GLU . 18.4 Cg_endo -58.39 -34.38 98.65 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.115 1.877 . . . . 10.0 111.608 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1741 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -43.48 84.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.887 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1742 ' ' THR . . . . . 0.567 HG23 HD12 ' A' 1675 ' ' LEU . 63.4 m -60.91 -49.33 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.034 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.762 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -64.28 -46.99 81.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.757 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1745 ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' 1765 ' ' THR . . . -58.15 -47.27 83.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 10.0 111.209 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1746 ' ' VAL . . . . . . . . . . . . . 62.8 t -64.91 -44.87 96.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.723 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -67.88 -33.23 79.18 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.156 -0.545 . . . . 10.0 113.236 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1748 ' ' ALA . . . . . 0.592 ' HB2' HD22 ' A' 1698 ' ' LEU . . . -70.03 -34.64 73.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.625 0.25 . . . . 10.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.81 74.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.933 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1750 ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 2.2 p -88.06 -0.57 57.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 51.3 tttp -116.12 -45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.346 . . . . 10.0 111.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1752 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.4 106.99 17.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.47 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 26.2 tp -126.11 12.61 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.454 0.645 . . . . 10.0 109.757 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1754 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -32.77 70.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.526 -0.761 . . . . 10.0 112.539 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -138.09 156.58 73.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 122.287 -0.258 . . . . 10.0 111.625 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.73 -11.62 27.45 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.961 2.44 . . . . 10.0 112.105 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -63.57 -14.4 51.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.923 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -54.34 -45.38 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.393 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.1 mmt -78.96 -25.18 43.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.112 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1760 ' ' ALA . . . . . 0.621 ' HB2' ' HB1' ' B' ' 360' ' ' ALA . . . -65.96 -56.39 11.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.889 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1761 ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.05 -32.23 71.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1762 ' ' LEU . . . . . 0.652 HD21 ' HA ' ' A' 1679 ' ' SER . 27.6 tp -65.2 -49.38 69.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.469 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.31 -39.56 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.86 -47.22 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.158 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1765 ' ' THR . . . . . 0.431 HG21 ' HB2' ' A' 1745 ' ' ALA . 14.8 m -66.65 -36.79 83.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1766 ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' 1676 ' ' ASP . 28.3 tttm -61.11 -51.96 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.392 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1767 ' ' THR . . . . . . . . . . . . . 10.5 m -62.74 -31.75 72.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.701 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.93 -46.14 89.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.11 85.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.937 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1770 ' ' GLU . . . . . 0.782 ' HB3' ' HB3' ' B' ' 323' ' ' ASN . 39.4 mt-10 -62.05 -40.57 96.22 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.024 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1771 ' ' SER . . . . . . . . . . . . . 15.0 m -68.41 -38.06 80.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.573 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.51 87.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.09 0.472 . . . . 10.0 110.316 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1773 ' ' LEU . . . . . 0.474 HD21 HD22 ' A' 1669 ' ' ASN . 29.2 tp -62.05 -38.73 89.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.761 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -31.33 68.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.188 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1775 ' ' LEU . . . . . 0.414 HD11 HD22 ' A' 1716 ' ' LEU . 2.0 tm? -66.26 -42.13 88.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.57 -35.11 79.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.437 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -63.36 -38.39 90.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.027 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1778 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -38.26 29.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.979 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.0 72.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.12 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1780 ' ' LYS . . . . . 0.525 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 9.9 ttpt -73.32 -8.13 54.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.377 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1781 ' ' GLU . . . . . 0.727 ' HB2' HG21 ' A' 1792 ' ' THR . 58.5 mt-10 -107.79 -56.11 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.022 0.439 . . . . 10.0 111.427 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1782 ' ' ALA . . . . . 0.405 ' HB1' HE22 ' A' 1793 ' ' GLN . . . -81.36 -8.94 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -70.18 94.18 0.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.991 -0.623 . . . . 10.0 112.864 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1784 ' ' GLY . . . . . 0.726 ' HA2' ' HB2' ' A' 1724 ' ' ALA . . . 117.39 -43.71 1.58 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.732 -0.746 . . . . 10.0 113.456 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -134.87 110.51 11.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 117.058 0.429 . . . . 10.0 111.777 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -83.6 -6.93 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.737 2.291 . . . . 10.0 112.919 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -78.68 -50.81 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 10.0 111.328 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -76.31 -6.98 53.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.162 0.506 . . . . 10.0 110.817 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1789 ' ' ALA . . . . . 0.613 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -126.61 47.86 2.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.145 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.49 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.507 -0.769 . . . . 10.0 111.338 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -29.98 68.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.052 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1792 ' ' THR . . . . . 0.727 HG21 ' HB2' ' A' 1781 ' ' GLU . 3.5 m -66.23 -22.56 66.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.811 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1793 ' ' GLN . . . . . 0.405 HE22 ' HB1' ' A' 1782 ' ' ALA . 40.6 mm-40 -59.75 -42.91 94.29 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 121.201 0.524 . . . . 10.0 109.7 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -84.32 -30.29 25.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.601 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1795 ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' 1792 ' ' THR . . . -66.86 -32.61 74.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.473 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.3 -38.61 87.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.082 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1797 ' ' GLU . . . . . 0.423 ' HA ' HG12 ' A' 1800 ' ' VAL . 11.1 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.707 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.13 -11.81 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.583 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.3 5.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.314 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1800 ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' 1797 ' ' GLU . 14.6 p -66.51 -42.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.043 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.8 -28.22 63.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.912 0.387 . . . . 10.0 111.315 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1802 ' ' MET . . . . . . . . . . . . . 24.0 ttt -68.46 -29.06 67.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.165 0.507 . . . . 10.0 109.737 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1803 ' ' MET . . . . . . . . . . . . . 55.0 mtp -70.25 -47.16 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1804 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.08 74.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.516 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.96 -50.22 71.39 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.461 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -70.47 -38.36 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1807 ' ' VAL . . . . . . . . . . . . . 41.1 t -55.81 -52.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.277 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.31 -43.69 96.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.757 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.78 -44.56 93.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.0 -36.0 82.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1811 ' ' THR . . . . . . . . . . . . . 63.0 m -58.15 -40.81 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1812 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -43.04 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 10.0 110.586 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1813 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -35.27 78.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.528 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -46.86 71.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -38.24 85.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.972 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.16 -24.29 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.795 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -64.13 -23.84 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.43 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.21 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1819 ' ' SER . . . . . . . . . . . . . 3.7 m -131.43 25.61 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.662 0.268 . . . . 10.0 111.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -146.48 8.09 1.01 Allowed 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -104.96 -79.41 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 10.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.533 -1.149 . . . . 10.0 111.553 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.486 0.184 . . . . 10.0 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.76 120.62 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 10.0 110.748 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.77 143.27 46.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 58.5 tp -85.68 126.23 33.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 315' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' B' ' 382' ' ' THR . 16.4 m -132.69 153.76 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 10.0 111.502 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 316' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' B' ' 325' ' ' LEU . 85.7 mttt -109.45 120.08 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.73 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' B' ' 325' ' ' LEU . 7.9 mt-10 -94.94 170.13 9.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 10.0 112.098 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -148.36 151.77 35.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 21.6 ttt -124.68 144.59 50.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -67.32 99.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.58 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 144.0 -60.72 0.51 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.499 -1.04 . . . . 10.0 110.499 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -104.21 97.35 7.32 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 323' ' ' ASN . . . . . 0.782 ' HB3' ' HB3' ' A' 1770 ' ' GLU . 0.7 OUTLIER -69.36 86.08 0.42 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.19 -0.914 . . . . 10.0 111.775 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 324' ' ' LYS . . . . . 0.471 ' HA ' ' HD2' ' B' ' 324' ' ' LYS . 24.2 tptt -157.3 148.94 22.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.2 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 325' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' B' ' 316' ' ' LYS . 89.3 mt -91.79 131.49 37.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.894 0.378 . . . . 10.0 111.941 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 5.9 m -119.29 137.43 25.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.331 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.99 128.7 15.24 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.0 2.467 . . . . 10.0 113.26 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' ARG . . . . . 0.765 ' HD2' ' HA ' ' B' ' 341' ' ' ASP . 16.0 tpp180 -136.31 164.84 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.408 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' LEU . . . . . 0.452 ' H ' ' HG3' ' B' ' 328' ' ' ARG . 77.8 mt -112.15 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 10.0 110.995 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -102.97 117.83 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.87 103.5 2.76 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.043 -0.599 . . . . 10.0 111.745 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.57 124.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 10.0 110.951 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 48.4 p -116.91 -167.17 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 12.19 30.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 10.0 111.051 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.41 -52.63 0.6 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.52 142.0 45.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 33.7 t -94.62 108.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.755 -1.202 . . . . 10.0 107.755 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -95.98 127.74 42.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' ARG . . . . . 0.553 ' HB2' ' HZ3' ' B' ' 351' ' ' TRP . 37.0 ttt180 -88.34 100.19 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' VAL . . . . . 0.464 HG22 HG22 ' B' ' 347' ' ' VAL . 13.7 t -102.08 132.61 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.338 0.59 . . . . 10.0 112.044 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' ASP . . . . . 0.765 ' HA ' ' HD2' ' B' ' 328' ' ' ARG . 9.5 t0 -80.69 145.43 31.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.951 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -91.68 -18.74 23.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.729 0.3 . . . . 10.0 111.422 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -79.54 -57.86 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.149 0.499 . . . . 10.0 111.242 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.97 -12.21 33.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.478 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' B' ' 341' ' ' ASP . 30.7 mmtp 57.41 52.09 9.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.198 0.523 . . . . 10.0 111.323 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -133.71 153.33 51.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.702 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' VAL . . . . . 0.464 HG22 HG22 ' B' ' 340' ' ' VAL . 58.4 t -82.15 113.12 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 41.2 mt -72.75 -45.49 56.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.05 151.18 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.631 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -123.21 154.02 39.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 10.0 110.952 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' TRP . . . . . 0.553 ' HZ3' ' HB2' ' B' ' 339' ' ' ARG . 29.6 m-90 -116.24 136.91 52.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.652 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 142.0 47.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.55 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.44 -48.7 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 10.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 39.7 0.35 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.192 0.52 . . . . 10.0 111.73 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.86 -13.26 2.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.486 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 33.5 mt -69.28 134.32 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -102.91 -57.04 2.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.049 0.452 . . . . 10.0 111.336 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 358' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -152.34 163.31 39.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.937 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.19 144.18 33.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.082 0.468 . . . . 10.0 111.587 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' 1760 ' ' ALA . . . -109.48 102.51 11.38 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -92.8 94.91 9.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.363 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 362' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 365' ' ' SER . 43.5 m -98.86 167.25 11.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.0 -37.91 86.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.577 2.184 . . . . 10.0 113.107 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -120.48 -55.72 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 365' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' B' ' 362' ' ' SER . 3.5 m -77.66 138.49 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.304 0.573 . . . . 10.0 112.53 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -124.21 102.01 7.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.788 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 367' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' B' ' 360' ' ' ALA . 0.7 OUTLIER -89.05 122.68 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.803 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -108.45 129.63 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 10.0 111.091 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -120.37 129.02 53.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.7 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -118.95 169.22 10.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.357 . . . . 10.0 111.33 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -82.25 -137.8 2.69 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.546 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.8 87.63 5.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 10.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -167.5 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -92.36 147.03 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -54.79 6.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.481 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 376' ' ' GLY . . . . . . . . . . . . . . . -120.14 -126.92 3.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.483 -0.865 . . . . 10.0 112.719 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 377' ' ' TYR . . . . . 0.466 ' HE2' ' HB ' ' A' 1683 ' ' VAL . 2.6 m-85 -123.43 162.43 22.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.68 0.276 . . . . 10.0 111.365 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -139.48 101.37 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.827 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 124.34 44.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.388 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.63 170.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.219 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 381' ' ' GLN . . . . . 0.402 ' HB3' ' HB2' ' B' ' 316' ' ' LYS . 37.0 tt0 -106.61 131.71 53.45 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 382' ' ' THR . . . . . 0.572 ' HB ' HG12 ' B' ' 315' ' ' VAL . 14.2 t -154.13 141.76 19.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.521 . . . . 10.0 110.657 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -25.83 59.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.586 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 384' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' B' ' 387' ' ' GLN . 41.7 mt-10 -106.1 41.54 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -60.17 -40.17 96.89 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.314 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -39.95 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 10.0 111.238 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 387' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' B' ' 384' ' ' GLU . 21.3 mp0 -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.626 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.27 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.64 -38.56 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.42 -46.36 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.319 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 392' ' ' ILE . . . . . 0.411 ' O ' HG13 ' B' ' 396' ' ' ILE . 96.5 mt -61.63 -46.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.413 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.99 73.48 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.356 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -69.04 -35.0 77.49 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.577 . . . . 10.0 112.09 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.31 -30.99 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 10.0 111.044 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 396' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 392' ' ' ILE . 78.8 mt -63.89 -31.63 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 10.0 109.716 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.04 -28.46 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.858 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.04 -38.51 72.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.092 0.472 . . . . 10.0 109.828 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 32.6 mt -69.83 -37.08 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.92 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.96 52.75 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.5 tptt . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.669 -0.681 . . . . 10.0 110.441 -179.511 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 112.143 -0.383 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.464 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.5 tp -111.21 148.39 14.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 122.598 -0.354 . . . . 10.0 110.082 179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.2 t70 -104.93 98.21 14.88 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.99 0.424 . . . . 10.0 110.27 175.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.464 ' HD3' ' O ' ' A' 1650 ' ' ILE . 92.7 Cg_endo -90.48 -0.52 5.28 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.661 2.241 . . . . 10.0 111.714 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.698 ' CZ ' ' HA ' ' A' 1781 ' ' GLU . 95.9 m-85 -102.09 -90.73 0.35 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.242 -0.435 . . . . 10.0 111.047 -176.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.602 ' HB ' ' O ' ' A' 1653 ' ' PHE . 12.8 t 171.2 29.19 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 113.33 0.863 . . . . 10.0 113.33 -175.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . . . . . . . . . . . -154.16 159.8 31.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 C-N-CA 119.766 -0.774 . . . . 10.0 112.248 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.93 144.93 60.29 Favored 'Trans proline' 0 N--CA 1.459 -0.544 0 C-N-CA 122.484 2.123 . . . . 10.0 110.313 166.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . 110.44 -39.73 2.8 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.212 -0.994 . . . . 10.0 111.674 -175.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.476 ' HG2' ' HB2' ' A' 1653 ' ' PHE . 11.5 mp0 -51.54 -43.33 62.31 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.074 0.464 . . . . 10.0 110.023 173.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 25.2 tp -62.13 -56.35 19.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.621 -0.718 . . . . 10.0 111.094 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -59.04 -38.33 79.09 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.89 -0.595 . . . . 10.0 111.989 -173.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.437 ' O ' HG13 ' A' 1665 ' ' ILE . 81.3 m -67.66 -42.74 81.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.963 -177.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -72.93 -34.77 66.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 10.0 110.731 -176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 13.1 p -68.7 -36.79 78.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.025 0.44 . . . . 10.0 110.601 177.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -73.51 -35.22 65.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.531 176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' 1661 ' ' CYS . 11.8 mt -55.95 -39.8 59.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.305 -0.407 . . . . 10.0 110.777 175.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -62.95 -39.49 94.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.111 0.482 . . . . 10.0 111.274 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -74.08 -46.53 42.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.275 0.559 . . . . 10.0 110.723 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . 0.538 HD12 ' SG ' ' A' 1671 ' ' CYS . 21.1 tp -64.0 -37.45 87.47 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.296 -0.865 . . . . 10.0 110.331 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 1665 ' ' ILE . 23.4 t-20 -60.89 -39.12 88.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.415 0.626 . . . . 10.0 109.488 177.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 34.9 t -64.21 -38.18 90.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.194 -0.912 . . . . 10.0 111.055 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . 0.538 ' SG ' HD12 ' A' 1668 ' ' LEU . 1.8 p -80.36 -21.32 42.51 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 120.444 -0.502 . . . . 10.0 110.47 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' 1672 ' ' LEU . 0.2 OUTLIER -68.57 -43.77 75.84 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-O 120.975 0.417 . . . . 10.0 110.254 174.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 110.51 178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 10.1 t70 -61.47 -48.03 82.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.068 -0.514 . . . . 10.0 110.369 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . . . . . . . . . 48.0 mt -69.03 -28.1 66.25 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.462 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . 0.732 ' HA ' ' HE2' ' A' 1766 ' ' LYS . 30.2 t70 -69.51 -40.37 77.02 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.109 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -86.41 -15.31 40.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.924 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . 0.595 ' HA ' ' HB3' ' A' 1681 ' ' ALA . . . -80.2 -16.78 54.05 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.129 179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . . . . . . . . . 39.8 t -67.34 -37.06 82.67 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 10.0 109.733 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . 0.47 HD12 ' HD2' ' B' ' 377' ' ' TYR . 1.2 tp -98.34 -14.77 20.02 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.762 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' 1678 ' ' ALA . . . -76.02 -44.29 40.08 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.414 0.524 . . . . 10.0 112.414 178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -67.92 -29.19 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.989 0.737 . . . . 10.0 112.989 -178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . . . . . . . . . 9.5 p -81.9 -17.18 11.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . 0.703 ' HB3' HE21 ' A' 1686 ' ' GLN . 8.4 t -103.28 14.85 30.66 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.084 0.469 . . . . 10.0 110.441 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 60.41 29.78 19.28 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.906 -0.588 . . . . 10.0 111.873 178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . 0.703 HE21 ' HB3' ' A' 1684 ' ' SER . 49.6 mt-30 -103.34 15.06 30.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.822 0.344 . . . . 10.0 110.956 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.633 HD12 ' HB2' ' A' 1750 ' ' SER . 0.4 OUTLIER -118.24 140.46 49.78 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.762 -0.458 . . . . 10.0 109.762 -176.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.41 ' N ' HD13 ' A' 1687 ' ' LEU . . . -85.65 140.0 35.65 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.512 -0.313 . . . . 10.0 110.924 177.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.28 110.7 0.61 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.153 2.568 . . . . 10.0 112.887 -177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . 0.965 ' HA ' ' HA2' ' A' 1747 ' ' GLY . 5.4 ppt_? 41.03 -172.19 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 125.112 1.365 . . . . 10.0 114.678 -176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . 0.547 ' HG2' ' HB3' ' A' 1743 ' ' LEU . 0.0 OUTLIER -104.35 -47.76 4.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.27 176.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . 0.55 ' HA2' ' NH1' ' A' 1690 ' ' ARG . . . -175.54 69.17 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.459 0 N-CA-C 111.773 -0.531 . . . . 10.0 111.773 177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . . . . . . . . . 17.4 tt -164.71 156.45 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.631 0.215 . . . . 10.0 110.698 -176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . 0.481 ' O ' ' HG ' ' A' 1698 ' ' LEU . 32.5 p -88.03 -175.28 5.03 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 120.667 0.27 . . . . 10.0 111.256 178.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -77.14 -50.4 13.08 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.123 0.416 . . . . 10.0 112.123 -173.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.26 -25.6 60.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.958 0.409 . . . . 10.0 110.416 -178.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -70.26 -24.96 63.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.394 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' 1694 ' ' SER . 66.0 mt -61.6 -50.17 73.64 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 173.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 6.8 t-160 -55.43 -39.05 69.8 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.978 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 8.2 m -65.83 -58.54 5.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 10.0 111.06 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . 0.471 ' OE1' ' HB2' ' A' 1744 ' ' ALA . 35.3 tt0 -59.4 -49.17 78.84 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.67 -174.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . 0.578 ' O ' HG23 ' A' 1706 ' ' VAL . 70.0 mtp -66.69 -50.55 62.52 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.099 -174.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.34 -44.07 97.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.736 -177.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 45.4 m -59.8 -41.73 91.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.69 0.281 . . . . 10.0 110.628 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . 0.576 ' O ' HG13 ' A' 1709 ' ' ILE . . . -65.78 -50.31 65.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.958 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' 1702 ' ' MET . 96.3 t -54.23 -47.79 67.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.063 -0.517 . . . . 10.0 111.689 -176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -55.09 -49.73 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.497 -0.319 . . . . 10.0 111.442 178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.32 -27.09 65.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.596 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.716 ' O ' HG13 ' A' 1713 ' ' ILE . 77.6 mt -63.36 -57.89 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 172.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.541 ' HA ' HD12 ' A' 1713 ' ' ILE . 42.1 t -53.19 -40.25 64.27 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-O 121.325 0.583 . . . . 10.0 110.253 178.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -53.31 -41.17 65.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.912 -1.04 . . . . 10.0 110.762 178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.843 HD11 ' HB2' ' A' 1734 ' ' MET . 1.2 pp -91.91 -17.48 25.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.528 -0.306 . . . . 10.0 111.821 -177.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.716 HG13 ' O ' ' A' 1709 ' ' ILE . 63.9 mt -60.66 -44.66 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-O 120.567 0.222 . . . . 10.0 110.731 -177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.413 ' N ' ' HD2' ' A' 1715 ' ' PRO . 42.2 mt-10 -62.38 -54.33 49.9 Favored Pre-proline 0 CA--C 1.54 0.589 0 C-N-CA 120.947 -0.301 . . . . 10.0 111.609 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.417 ' HG2' ' HA ' ' A' 1712 ' ' LEU . 19.4 Cg_endo -60.24 -26.81 83.52 Favored 'Trans proline' 0 C--N 1.354 0.86 0 C-N-CA 122.141 1.894 . . . . 10.0 112.836 176.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.831 HD13 ' HE3' ' A' 1734 ' ' MET . 6.7 tt -73.14 -41.64 63.73 Favored 'General case' 0 C--O 1.222 -0.348 0 C-N-CA 120.429 -0.509 . . . . 10.0 109.734 177.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.14 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.075 0.464 . . . . 10.0 110.345 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 44.2 t -62.74 -36.61 83.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.593 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.707 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -74.76 -43.73 53.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.626 -177.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.39 70.97 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.513 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -86.07 -14.31 44.72 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.54 0.571 . . . . 10.0 112.54 -177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -155.61 -53.01 0.09 Allowed 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 113.465 0.913 . . . . 10.0 113.465 -172.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.721 ' HB3' ' HB2' ' A' 1726 ' ' GLN . 36.1 mt-10 -71.33 85.56 0.8 Allowed 'General case' 0 N--CA 1.469 0.496 0 O-C-N 122.474 -0.141 . . . . 10.0 111.074 -177.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.635 ' HB2' ' HA3' ' A' 1784 ' ' GLY . . . -68.0 -47.71 67.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.113 0.482 . . . . 10.0 111.447 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 15.9 p -73.51 -18.23 61.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.461 . . . . 10.0 111.113 -176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.721 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 46.3 mt-30 -96.2 -31.98 12.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.85 -0.613 . . . . 10.0 109.86 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' 1731 ' ' VAL . 26.1 tp -51.66 -49.53 62.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.119 -0.946 . . . . 10.0 111.798 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -53.94 -36.96 56.98 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.305 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . . . . . . . . . 20.4 m80 -66.97 -37.2 83.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.773 0.32 . . . . 10.0 110.809 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.495 ' HG3' ' HA ' ' A' 1716 ' ' LEU . 13.7 mmtp -69.49 -42.87 74.22 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.235 -0.654 . . . . 10.0 109.235 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' 1727 ' ' LEU . 96.4 t -59.66 -44.4 93.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 115.418 -0.81 . . . . 10.0 110.958 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 19.7 m -53.51 -43.71 68.52 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.18 -0.464 . . . . 10.0 110.473 177.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.562 ' O ' ' HG2' ' A' 1736 ' ' GLN . 77.5 mt-30 -69.65 -46.63 65.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.401 -178.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . 0.843 ' HB2' HD11 ' A' 1712 ' ' LEU . 57.0 ttm -63.19 -43.43 98.21 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.762 0.315 . . . . 10.0 111.445 -174.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -68.66 -35.91 77.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.108 0.48 . . . . 10.0 111.305 -173.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' 1733 ' ' GLN . 11.8 pt20 -69.88 -35.59 74.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.644 -174.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -71.16 -28.46 64.28 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.767 0.318 . . . . 10.0 111.502 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' 1709 ' ' ILE . 17.1 m-85 -72.46 -23.24 61.02 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.2 0.444 . . . . 10.0 112.2 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.404 ' HB3' ' CD ' ' A' 1740 ' ' PRO . 36.9 tt0 -63.12 -58.09 17.81 Favored Pre-proline 0 CA--C 1.539 0.541 0 C-N-CA 120.54 -0.464 . . . . 10.0 111.41 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' 1739 ' ' GLU . 10.9 Cg_endo -59.54 -34.05 96.91 Favored 'Trans proline' 0 C--N 1.36 1.175 0 C-N-CA 121.69 1.593 . . . . 10.0 112.176 175.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . 0.517 HD23 ' HA ' ' A' 1741 ' ' LEU . 11.2 mt -58.17 -48.07 81.44 Favored 'General case' 0 CA--C 1.516 -0.338 0 C-N-CA 120.911 -0.316 . . . . 10.0 110.679 176.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.635 ' O ' HG23 ' A' 1746 ' ' VAL . 79.7 m -56.2 -55.53 32.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.236 174.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . 0.547 ' HB3' ' HG2' ' A' 1691 ' ' GLU . 74.1 mt -55.66 -48.58 74.78 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.065 0.459 . . . . 10.0 111.154 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . 0.471 ' HB2' ' OE1' ' A' 1701 ' ' GLN . . . -64.57 -41.09 96.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.56 -0.745 . . . . 10.0 111.113 -178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . . . . . . . . . . . -65.88 -44.79 84.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.494 -0.321 . . . . 10.0 110.889 179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' 1742 ' ' THR . 43.3 t -63.81 -34.42 67.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.215 0.531 . . . . 10.0 109.596 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . 0.965 ' HA2' ' HA ' ' A' 1690 ' ' ARG . . . -59.72 -56.03 27.15 Favored Glycine 0 N--CA 1.442 -0.965 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.971 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.402 ' HB2' HD13 ' A' 1698 ' ' LEU . . . -57.43 -36.42 71.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.568 0.223 . . . . 10.0 111.105 178.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' 1762 ' ' LEU . . . -53.33 -57.85 9.14 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.279 0.561 . . . . 10.0 111.726 177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.633 ' HB2' HD12 ' A' 1687 ' ' LEU . 35.9 t -82.5 -22.79 34.94 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.638 -173.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 63.6 tttp -91.44 -40.91 11.15 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.614 -171.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 3.9 m -83.51 138.12 33.57 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.786 0.327 . . . . 10.0 110.659 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 17.3 tp -157.45 27.16 0.29 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.121 0.486 . . . . 10.0 110.604 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 24.5 m -88.92 -56.91 3.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.87 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 57.0 m80 -114.31 163.58 18.74 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 10.0 111.319 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.05 -3.16 9.22 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.276 2.651 . . . . 10.0 112.806 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -72.96 -6.55 46.11 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.327 -0.397 . . . . 10.0 111.071 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -60.45 -46.31 90.51 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.177 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 26.5 mmt -88.59 -12.12 43.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.004 -0.544 . . . . 10.0 111.498 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . . . . . . . . . . . -77.95 -44.74 25.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.07 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . 0.441 ' HB3' HG21 ' A' 1813 ' ' THR . 4.2 pp -72.77 -27.37 61.97 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.225 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' 1749 ' ' ALA . 51.0 tp -66.35 -32.97 74.68 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 115.683 -0.69 . . . . 10.0 110.441 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -84.48 -31.25 24.63 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.502 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' 1768 ' ' LEU . 89.1 mt-30 -68.33 -22.49 64.69 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.718 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . . . . . . . . . 40.4 m -94.51 -29.61 14.84 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 116.051 -0.522 . . . . 10.0 109.677 178.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.732 ' HE2' ' HA ' ' A' 1676 ' ' ASP . 58.0 tttm -68.0 -48.0 66.98 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.505 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 4.1 m -76.77 -15.51 59.73 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.47 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' 1764 ' ' GLN . 53.4 tp -76.81 -37.07 56.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.247 179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -77.1 -26.04 52.88 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 108.674 -0.862 . . . . 10.0 108.674 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.575 ' HB3' ' HB3' ' B' ' 323' ' ' ASN . 27.8 mt-10 -70.96 -37.84 72.79 Favored 'General case' 0 C--N 1.337 0.036 0 CA-C-N 115.436 -0.802 . . . . 10.0 109.408 177.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 68.7 m -69.95 -27.0 64.38 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.847 178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -78.37 -25.28 46.24 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.681 -0.691 . . . . 10.0 109.718 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . . . . . . . . . 38.7 tp -73.14 -45.37 57.13 Favored 'General case' 0 CA--C 1.522 -0.127 0 N-CA-C 109.025 -0.731 . . . . 10.0 109.025 178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . 0.407 ' HB2' ' OD1' ' B' ' 323' ' ' ASN . 8.6 tp-100 -67.61 -25.19 65.64 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 109.127 -0.694 . . . . 10.0 109.127 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.501 HD11 HD22 ' A' 1716 ' ' LEU . 2.8 tm? -67.06 -53.45 30.91 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 115.338 -0.846 . . . . 10.0 110.137 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.44 -16.88 64.45 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 120.641 0.258 . . . . 10.0 111.12 178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -70.31 -53.69 15.72 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.789 0.328 . . . . 10.0 111.198 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 15.5 p -70.9 -33.36 70.47 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.308 -0.406 . . . . 10.0 111.113 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -66.7 -30.74 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.15 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -67.89 -37.53 81.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.284 0.564 . . . . 10.0 110.212 179.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.698 ' HA ' ' CZ ' ' A' 1653 ' ' PHE . 75.4 mt-10 -73.25 -53.82 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.504 -0.771 . . . . 10.0 111.431 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . . . . . . . . . . . -82.18 -14.45 55.61 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.588 -172.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -46.27 101.02 0.03 OUTLIER Glycine 0 C--N 1.33 0.225 0 O-C-N 123.963 0.789 . . . . 10.0 114.695 -168.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.635 ' HA3' ' HB2' ' A' 1724 ' ' ALA . . . 76.74 1.51 72.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.286 -0.457 . . . . 10.0 112.97 175.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 47.5 t30 -139.81 95.43 8.74 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.886 0.374 . . . . 10.0 111.123 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -71.23 -15.49 31.71 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.813 2.342 . . . . 10.0 112.427 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' 1787 ' ' LYS . 0.9 OUTLIER -73.57 -61.43 1.83 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.166 0.432 . . . . 10.0 112.166 -172.171 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -80.6 25.03 0.44 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.29 0.567 . . . . 10.0 110.717 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.827 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -145.24 35.16 1.09 Allowed 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.458 -176.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -53.78 -49.94 67.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.737 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -82.25 -24.11 34.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.938 0.399 . . . . 10.0 110.183 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.827 ' HB ' ' HB1' ' A' 1789 ' ' ALA . 22.0 m -63.94 -27.84 69.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.95 -0.568 . . . . 10.0 109.833 177.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' 1789 ' ' ALA . 32.7 mm-40 -56.97 -37.1 71.12 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.546 176.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -85.13 -28.17 25.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.151 -0.477 . . . . 10.0 111.392 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . . . . . . . . . . . -73.83 -28.54 61.67 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.313 -0.403 . . . . 10.0 111.501 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 63.3 tp -69.6 -30.0 67.65 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.949 -0.569 . . . . 10.0 109.77 178.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.403 ' HA ' HG12 ' A' 1800 ' ' VAL . 30.1 mm-40 -77.04 -19.79 56.73 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.603 -0.726 . . . . 10.0 110.696 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . 0.408 ' O ' ' HB2' ' A' 1802 ' ' MET . 41.2 mt-10 -87.68 -22.12 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.538 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -86.67 -32.65 20.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.184 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.403 HG12 ' HA ' ' A' 1797 ' ' GLU . 12.0 p -75.36 -37.22 38.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.974 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -76.39 -20.29 57.3 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.867 0.365 . . . . 10.0 111.084 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . 0.408 ' HB2' ' O ' ' A' 1798 ' ' GLU . 18.8 ttt -79.7 -29.23 40.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.973 179.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . 0.444 ' O ' HG23 ' A' 1807 ' ' VAL . 75.0 mtp -73.77 -49.48 25.22 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.339 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 10.9 t -64.23 -23.0 67.15 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.345 -0.389 . . . . 10.0 111.847 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -65.84 -37.85 87.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.647 179.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . 0.426 ' HB3' HD13 ' A' 1768 ' ' LEU . . . -89.17 -19.93 24.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.336 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' 1803 ' ' MET . 42.3 t -69.87 -51.24 42.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-N 116.571 -0.286 . . . . 10.0 110.806 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -66.37 -31.1 71.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.066 -0.516 . . . . 10.0 111.266 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 10.7 t0 -75.52 -28.61 59.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.526 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . 0.46 HD23 HG21 ' A' 1706 ' ' VAL . 27.0 tp -75.48 -42.91 51.85 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.838 0.352 . . . . 10.0 110.433 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . 0.445 ' HA ' HD12 ' A' 1814 ' ' LEU . 19.2 m -57.98 -30.66 66.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.853 -0.612 . . . . 10.0 111.778 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' 1816 ' ' GLU . 25.5 m -62.96 -38.16 89.95 Favored 'General case' 0 CA--C 1.528 0.132 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.722 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . 0.441 HG21 ' HB3' ' A' 1761 ' ' LEU . 7.7 m -78.97 -33.79 44.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.488 . . . . 10.0 111.57 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' 1811 ' ' THR . 95.4 mt -62.52 -49.07 76.79 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.117 0.484 . . . . 10.0 111.686 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.01 -37.18 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.835 -0.621 . . . . 10.0 111.231 -175.031 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' 1812 ' ' THR . 55.1 mm-40 -72.47 -32.81 66.55 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 109.499 -0.556 . . . . 10.0 109.499 176.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . 0.599 ' HA ' ' HB3' ' A' 1820 ' ' ALA . . . -56.78 -17.31 8.7 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.892 -0.595 . . . . 10.0 112.26 -177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -50.72 -49.71 57.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.042 0.449 . . . . 10.0 110.234 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 51.2 m -106.5 -17.0 14.39 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.365 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . 0.599 ' HB3' ' HA ' ' A' 1817 ' ' ALA . . . -84.9 -16.17 42.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 10.0 111.654 -177.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -128.2 -30.12 2.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.456 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.638 -1.09 . . . . 10.0 111.894 177.198 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 110.371 -0.233 . . . . 10.0 110.371 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -109.32 138.22 46.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.659 0.384 . . . . 10.0 110.973 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -124.84 144.9 50.05 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 122.987 0.515 . . . . 10.0 110.688 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 13.6 tp -87.86 115.29 25.21 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 123.182 0.301 . . . . 10.0 110.318 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 315' ' ' VAL . . . . . . . . . . . . . 16.1 m -129.05 162.16 36.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 O-C-N 123.973 0.795 . . . . 10.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 316' ' ' LYS . . . . . 0.703 ' HD3' ' HB3' ' B' ' 325' ' ' LEU . 98.5 mttt -123.39 139.99 53.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.782 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -121.19 139.5 53.28 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.083 0.401 . . . . 10.0 112.083 -178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.39 139.27 42.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.86 -0.609 . . . . 10.0 110.52 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 25.3 ttt -104.18 144.31 31.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 10.0 111.472 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 50.7 mttt -64.09 139.29 58.75 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.97 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 110.34 -43.09 1.79 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.859 -0.686 . . . . 10.0 111.488 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -126.51 179.91 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.344 . . . . 10.0 110.437 179.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . 0.575 ' HB3' ' HB3' ' A' 1770 ' ' GLU . 0.1 OUTLIER -140.51 93.1 2.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.514 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 324' ' ' LYS . . . . . 0.475 ' HD2' ' HA ' ' B' ' 324' ' ' LYS . 28.9 tptt -153.83 138.82 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.926 -0.579 . . . . 10.0 111.005 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.703 ' HB3' ' HD3' ' B' ' 316' ' ' LYS . 55.8 mt -86.28 123.33 31.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.964 -0.562 . . . . 10.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 9.5 m -124.3 147.07 53.81 Favored Pre-proline 0 N--CA 1.48 1.035 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.055 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.61 138.72 66.09 Favored 'Trans proline' 0 C--N 1.378 2.091 0 C-N-CA 122.811 2.341 . . . . 10.0 113.215 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' ARG . . . . . . . . . . . . . 16.8 tpp180 -147.08 147.03 30.19 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.75 0.42 . . . . 10.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . . . . . . . . . 58.5 mt -101.43 135.7 42.5 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 122.596 0.358 . . . . 10.0 110.715 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 22.4 tp -125.1 117.66 24.42 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 122.542 0.337 . . . . 10.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -101.77 120.33 6.81 Favored Glycine 0 C--N 1.349 1.29 0 CA-C-O 119.659 -0.523 . . . . 10.0 112.021 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 23.7 mt -114.23 133.42 60.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 CA-C-N 117.085 0.442 . . . . 10.0 110.623 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 75.7 p -126.16 175.66 7.61 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 122.862 0.465 . . . . 10.0 110.111 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -74.16 -10.36 59.54 Favored 'General case' 0 CA--C 1.554 1.107 0 N-CA-C 113.692 0.997 . . . . 10.0 113.692 -179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -112.35 -41.5 3.88 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.983 0.734 . . . . 10.0 112.983 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 75.7 m -150.88 161.35 42.85 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 19.2 t -107.52 140.06 27.15 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 115.606 -0.725 . . . . 10.0 109.18 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 5.0 ptt? -145.24 151.73 38.85 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.979 0.363 . . . . 10.0 111.979 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' ARG . . . . . . . . . . . . . 19.9 ttp-105 -108.1 129.5 55.15 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.587 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' VAL . . . . . . . . . . . . . 42.1 t -112.73 138.6 41.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.941 0.496 . . . . 10.0 110.373 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -81.39 131.71 35.3 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.428 0.291 . . . . 10.0 110.698 179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -65.93 -31.54 72.52 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 113.32 0.859 . . . . 10.0 113.32 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -84.45 -51.04 7.23 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.248 0.833 . . . . 10.0 113.248 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 47.2 p -87.05 -19.92 27.92 Favored 'General case' 0 N--CA 1.484 1.27 0 N-CA-C 113.416 0.895 . . . . 10.0 113.416 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt 61.54 43.6 10.0 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 123.249 0.62 . . . . 10.0 111.791 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -134.65 160.31 38.51 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 122.982 0.513 . . . . 10.0 111.112 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . . . . . . . . . 23.4 t -85.62 132.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 122.498 0.319 . . . . 10.0 110.436 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 3.2 mp -97.5 -57.49 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 122.526 0.33 . . . . 10.0 110.233 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -143.94 149.97 37.63 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 122.739 0.415 . . . . 10.0 110.682 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -137.71 156.16 48.31 Favored 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 112.073 0.398 . . . . 10.0 112.073 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' TRP . . . . . . . . . . . . . 21.8 m-90 -130.03 152.43 49.5 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.286 0.634 . . . . 10.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 68.0 m -82.46 150.38 27.07 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 122.907 0.129 . . . . 10.0 110.83 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 17.9 tp -69.33 -35.79 76.29 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 112.652 0.612 . . . . 10.0 112.652 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 40.4 p -79.44 -12.55 59.89 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.391 0.886 . . . . 10.0 113.391 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -13.71 53.32 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 118.455 0.57 . . . . 10.0 112.498 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 36.8 mt -70.86 134.4 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 117.976 0.353 . . . . 10.0 110.312 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -104.65 -62.16 1.37 Allowed 'General case' 0 C--N 1.331 -0.216 0 O-C-N 123.39 0.431 . . . . 10.0 111.482 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' B' ' 369' ' ' ASP . 14.1 ptt180 -135.57 165.57 25.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.252 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 43.3 p90 -153.36 144.93 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.309 179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . . . . . . . . . . . -107.87 121.81 45.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.632 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -97.89 94.81 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 10.0 111.779 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . 0.418 ' HB2' ' O ' ' B' ' 365' ' ' SER . 68.9 m -102.64 157.47 33.66 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.974 -0.557 . . . . 10.0 109.94 179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.77 -31.1 94.39 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 122.785 2.323 . . . . 10.0 113.258 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -119.77 -42.53 2.62 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' B' ' 362' ' ' SER . 8.2 t -98.85 168.66 9.98 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.398 0.518 . . . . 10.0 112.398 -178.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -151.14 102.76 2.97 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.075 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' THR . . . . . . . . . . . . . 7.4 m -86.18 121.39 28.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.592 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 22.4 mt -108.27 127.23 53.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 10.0 111.049 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . 0.588 ' HB3' ' HG3' ' B' ' 358' ' ' ARG . 25.9 t70 -111.82 126.61 55.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.253 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -111.28 150.49 29.56 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.608 -0.724 . . . . 10.0 111.002 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -79.7 -103.25 0.26 Allowed Glycine 0 C--N 1.35 1.32 0 CA-C-O 119.821 -0.433 . . . . 10.0 112.988 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -101.77 70.1 1.24 Allowed 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 120.94 0.4 . . . . 10.0 110.581 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -152.02 -55.54 0.13 Allowed 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 116.059 -0.519 . . . . 10.0 111.107 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -105.14 130.86 53.22 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 123.53 0.519 . . . . 10.0 111.308 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -86.73 -36.65 18.52 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.741 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 376' ' ' GLY . . . . . 0.401 ' HA2' HD21 ' A' 1680 ' ' LEU . . . -86.07 -155.13 25.5 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 120.931 -0.652 . . . . 10.0 112.622 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 377' ' ' TYR . . . . . 0.47 ' HD2' HD12 ' A' 1680 ' ' LEU . 0.7 OUTLIER -123.47 149.58 44.94 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.935 0.346 . . . . 10.0 111.935 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -129.81 104.63 7.51 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.033 -0.53 . . . . 10.0 111.244 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 20.6 p -133.64 115.28 14.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.657 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 15.9 m -118.73 164.9 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.221 -0.445 . . . . 10.0 111.774 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 381' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -92.84 117.38 29.97 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.07 -0.514 . . . . 10.0 111.258 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 382' ' ' THR . . . . . . . . . . . . . 13.0 t -117.06 144.53 44.53 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.975 -0.557 . . . . 10.0 112.058 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 35.0 p -85.72 -29.85 23.59 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.266 -0.425 . . . . 10.0 110.87 178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -121.41 69.0 0.9 Allowed 'General case' 0 C--N 1.358 0.957 0 C-N-CA 122.92 0.488 . . . . 10.0 110.417 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -67.75 -33.64 80.91 Favored Glycine 0 C--N 1.35 1.328 0 CA-C-N 116.028 -0.533 . . . . 10.0 114.204 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -69.36 -34.49 74.66 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 117.239 0.52 . . . . 10.0 111.728 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -71.6 -38.41 70.85 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.58 0.352 . . . . 10.0 111.579 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 61.3 mt -68.9 -41.84 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 C-N-CA 122.186 0.194 . . . . 10.0 110.927 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.03 98.4 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.11 0.411 . . . . 10.0 112.11 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -69.55 -33.36 72.66 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 122.636 0.374 . . . . 10.0 111.715 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 6.2 tp -67.87 -41.87 82.17 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.758 0.423 . . . . 10.0 112.006 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 392' ' ' ILE . . . . . . . . . . . . . 38.3 mt -67.82 -42.82 86.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 C-N-CA 122.602 0.361 . . . . 10.0 110.811 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.13 95.38 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 112.022 0.379 . . . . 10.0 112.022 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -65.95 -37.71 93.49 Favored Glycine 0 C--N 1.353 1.473 0 CA-C-O 119.566 -0.574 . . . . 10.0 113.734 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -65.18 -36.28 83.71 Favored 'General case' 0 N--CA 1.481 1.096 0 CA-C-N 117.587 0.693 . . . . 10.0 111.46 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 396' ' ' ILE . . . . . . . . . . . . . 40.1 mt -68.44 -36.91 76.81 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 N-CA-C 110.295 -0.261 . . . . 10.0 110.295 178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -63.76 -37.01 85.78 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.838 0.455 . . . . 10.0 112.003 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 38.1 mt -69.43 -37.77 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.551 0.34 . . . . 10.0 111.365 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 47.2 mt -68.48 -40.52 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 C-N-CA 122.533 0.333 . . . . 10.0 111.293 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 40.0 mt -63.87 -34.32 77.67 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 112.132 0.419 . . . . 10.0 112.132 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 76.2 tttt . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.031 0.382 . . . . 10.0 112.031 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1649 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.981 -0.448 . . . . 10.0 111.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1650 ' ' ILE . . . . . 0.407 ' O ' ' HD3' ' A' 1652 ' ' PRO . 10.4 tp -122.55 132.33 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.99 0.424 . . . . 10.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1651 ' ' ASP . . . . . . . . . . . . . 5.5 t0 -94.59 109.17 41.78 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.498 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1652 ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' 1650 ' ' ILE . 91.8 Cg_endo -94.77 10.53 1.75 Allowed 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.132 2.555 . . . . 10.0 111.959 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1653 ' ' PHE . . . . . 0.531 ' O ' ' HB ' ' A' 1654 ' ' THR . 61.1 m-85 -113.05 -90.0 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.548 -0.296 . . . . 10.0 111.358 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1654 ' ' THR . . . . . 0.531 ' HB ' ' O ' ' A' 1653 ' ' PHE . 14.6 t 171.8 35.6 0.0 OUTLIER 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.394 0.616 . . . . 10.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1655 ' ' ALA . . . . . 0.442 ' HB3' ' OE1' ' A' 1658 ' ' GLN . . . -146.5 147.46 30.73 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 121.018 0.437 . . . . 10.0 111.58 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1656 ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.69 -18.14 42.42 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.565 2.176 . . . . 10.0 111.928 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1657 ' ' GLY . . . . . . . . . . . . . . . -60.78 -35.53 90.15 Favored Glycine 0 C--N 1.331 0.262 0 CA-C-N 116.059 -0.519 . . . . 10.0 112.591 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1658 ' ' GLN . . . . . 0.442 ' OE1' ' HB3' ' A' 1655 ' ' ALA . 15.6 mp0 -60.72 -40.1 91.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 10.0 110.781 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1659 ' ' LEU . . . . . . . . . . . . . 64.0 tp -61.48 -46.32 90.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1660 ' ' GLU . . . . . 0.493 ' H ' ' HG2' ' A' 1660 ' ' GLU . 0.1 OUTLIER -64.67 -50.63 66.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.672 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1661 ' ' CYS . . . . . 0.49 ' O ' HG13 ' A' 1665 ' ' ILE . 63.7 m -59.02 -53.04 62.84 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 113.308 0.855 . . . . 10.0 113.308 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1662 ' ' GLU . . . . . 0.568 ' HA ' HD12 ' A' 1665 ' ' ILE . 22.8 tt0 -58.46 -39.21 79.3 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 112.344 0.498 . . . . 10.0 112.344 -178.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1663 ' ' THR . . . . . . . . . . . . . 25.6 m -66.29 -39.32 89.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.993 0.425 . . . . 10.0 110.059 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1664 ' ' ALA . . . . . . . . . . . . . . . -68.73 -34.13 75.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.253 179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1665 ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' 1662 ' ' GLU . 94.7 mt -58.33 -49.03 83.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 10.0 110.718 179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1666 ' ' ALA . . . . . . . . . . . . . . . -58.74 -38.2 77.86 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.202 -0.454 . . . . 10.0 111.273 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1667 ' ' ALA . . . . . . . . . . . . . . . -73.12 -49.75 26.65 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.706 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1668 ' ' LEU . . . . . . . . . . . . . 27.5 tp -62.42 -41.95 99.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.452 -0.34 . . . . 10.0 111.46 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1669 ' ' ASN . . . . . 0.474 HD22 HD21 ' A' 1773 ' ' LEU . 21.1 t-20 -59.48 -34.97 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 10.0 110.478 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1670 ' ' SER . . . . . . . . . . . . . 67.4 m -65.27 -42.78 92.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 10.0 110.024 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1671 ' ' CYS . . . . . . . . . . . . . 71.8 m -68.77 -33.25 73.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.573 . . . . 10.0 109.646 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1672 ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' 1672 ' ' LEU . 0.3 OUTLIER -62.44 -43.4 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.133 178.816 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1673 ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' 1669 ' ' ASN . 15.5 mtt180 -62.72 -40.78 98.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.813 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1674 ' ' ASP . . . . . . . . . . . . . 20.5 t70 -63.09 -50.18 71.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.013 -0.539 . . . . 10.0 110.5 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1675 ' ' LEU . . . . . 0.567 HD12 HG23 ' A' 1742 ' ' THR . 0.5 OUTLIER -65.9 -35.1 79.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.051 -0.522 . . . . 10.0 111.04 179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1676 ' ' ASP . . . . . 0.687 ' HA ' ' HE2' ' A' 1766 ' ' LYS . 31.2 t70 -59.7 -34.09 72.44 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.459 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1677 ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -95.71 -22.53 17.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.167 -0.47 . . . . 10.0 110.536 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1678 ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.52 85.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.78 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1679 ' ' SER . . . . . 0.652 ' HA ' HD21 ' A' 1762 ' ' LEU . 1.5 m -59.78 -32.63 70.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.152 0.501 . . . . 10.0 111.05 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1680 ' ' LEU . . . . . . . . . . . . . 19.1 mt -83.15 -36.4 24.78 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.505 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1681 ' ' ALA . . . . . . . . . . . . . . . -72.22 -31.09 65.53 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.507 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1682 ' ' ALA . . . . . . . . . . . . . . . -59.36 -52.9 63.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.284 -0.416 . . . . 10.0 111.625 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1683 ' ' VAL . . . . . 0.466 ' HB ' ' HE2' ' B' ' 377' ' ' TYR . 8.3 p -65.47 -25.96 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 121.094 0.473 . . . . 10.0 110.912 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1684 ' ' SER . . . . . . . . . . . . . 24.3 t -84.32 -2.64 57.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.682 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1685 ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 63.76 28.84 14.9 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.017 -0.538 . . . . 10.0 111.552 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1686 ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -99.67 27.72 5.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.851 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1687 ' ' LEU . . . . . 0.416 ' HB3' ' HB3' ' A' 1750 ' ' SER . 0.1 OUTLIER -133.35 132.21 41.01 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.181 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1688 ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' 1689 ' ' PRO . . . -73.08 137.79 79.13 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 116.111 -0.495 . . . . 10.0 109.695 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1689 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1688 ' ' ALA . 34.2 Cg_exo -63.11 98.41 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.733 2.289 . . . . 10.0 111.663 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1690 ' ' ARG . . . . . . . . . . . . 0.283 0.3 OUTLIER 52.64 -177.24 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.841 1.423 . . . . 10.0 114.841 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1691 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.96 -50.19 3.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.483 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1692 ' ' GLY . . . . . 0.402 ' H ' ' H ' ' A' 1693 ' ' ILE . . . -169.13 -0.5 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.647 -0.706 . . . . 10.0 112.269 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1693 ' ' ILE . . . . . 0.402 ' H ' ' H ' ' A' 1692 ' ' GLY . 16.1 tt -79.91 145.19 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.443 0 CA-C-O 121.051 0.453 . . . . 10.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1694 ' ' SER . . . . . . . . . . . . . 2.0 m -78.93 166.58 22.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.42 -0.355 . . . . 10.0 111.537 -179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1695 ' ' GLN . . . . . 0.525 ' HA ' HD12 ' A' 1698 ' ' LEU . 29.0 tp60 -59.56 -53.73 54.72 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.407 -0.36 . . . . 10.0 111.771 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1696 ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -69.5 -37.28 77.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.575 -0.528 . . . . 10.0 109.575 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1697 ' ' ALA . . . . . . . . . . . . . . . -55.83 -32.84 63.93 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.897 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1698 ' ' LEU . . . . . 0.592 HD22 ' HB2' ' A' 1748 ' ' ALA . 11.2 mt -61.26 -47.85 84.11 Favored 'General case' 0 CA--C 1.52 -0.188 0 N-CA-C 108.79 -0.819 . . . . 10.0 108.79 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1699 ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -60.11 -49.74 76.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.077 -0.965 . . . . 10.0 110.599 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1700 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -42.01 99.65 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.735 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1701 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -53.17 42.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.607 -0.269 . . . . 10.0 110.877 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1702 ' ' MET . . . . . . . . . . . . . 99.2 mtp -58.53 -45.37 88.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.065 -0.516 . . . . 10.0 111.208 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1703 ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.64 -45.13 95.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.077 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1704 ' ' THR . . . . . . . . . . . . . 29.2 m -65.78 -46.33 79.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.447 -0.342 . . . . 10.0 110.648 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1705 ' ' ALA . . . . . . . . . . . . . . . -59.16 -47.82 83.88 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.46 -0.336 . . . . 10.0 110.748 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1706 ' ' VAL . . . . . . . . . . . . . 32.6 t -57.48 -44.96 85.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.79 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1707 ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.3 -40.53 94.5 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.4 -0.363 . . . . 10.0 111.251 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1708 ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -67.16 -47.52 70.76 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.198 -0.455 . . . . 10.0 110.264 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1709 ' ' ILE . . . . . 0.538 ' O ' HG13 ' A' 1713 ' ' ILE . 97.9 mt -60.12 -46.53 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 10.0 111.36 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1710 ' ' SER . . . . . 0.618 ' HA ' HD12 ' A' 1713 ' ' ILE . 4.3 p -66.34 -28.35 68.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.926 0.394 . . . . 10.0 110.931 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1711 ' ' HIS . . . . . . . . . . . . . 19.4 t-160 -69.27 -39.49 78.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.815 -0.63 . . . . 10.0 110.093 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1712 ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' 1709 ' ' ILE . 3.5 pp -84.66 -11.64 55.52 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.679 0.622 . . . . 10.0 112.679 -179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1713 ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' 1710 ' ' SER . 19.2 mt -57.73 -51.04 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 120.643 0.259 . . . . 10.0 111.562 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1714 ' ' GLU . . . . . 0.725 ' HB2' ' HD3' ' A' 1715 ' ' PRO . 33.7 mt-10 -59.07 -55.38 46.93 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.47 -0.332 . . . . 10.0 111.795 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1715 ' ' PRO . . . . . 0.725 ' HD3' ' HB2' ' A' 1714 ' ' GLU . 51.3 Cg_exo -59.27 -25.26 77.61 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 122.53 2.153 . . . . 10.0 112.472 178.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1716 ' ' LEU . . . . . 0.537 ' HG ' ' HB2' ' A' 1730 ' ' LYS . 1.1 tt -75.5 -38.86 59.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.979 -0.378 . . . . 10.0 109.979 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1717 ' ' ALA . . . . . 0.563 ' O ' ' HG2' ' A' 1721 ' ' ARG . . . -59.15 -39.81 83.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.459 179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1718 ' ' SER . . . . . . . . . . . . . 39.1 t -69.08 -38.19 78.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.238 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1719 ' ' ALA . . . . . 0.776 ' HA ' ' HB2' ' A' 1723 ' ' GLU . . . -69.58 -41.47 75.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1720 ' ' ALA . . . . . . . . . . . . . . . -69.46 1.12 4.25 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1721 ' ' ARG . . . . . 0.563 ' HG2' ' O ' ' A' 1717 ' ' ALA . 7.8 ptp180 -138.73 8.41 2.57 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.834 -0.346 . . . . 10.0 111.781 179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1722 ' ' ALA . . . . . . . . . . . . . . . -165.57 -59.93 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1723 ' ' GLU . . . . . 0.776 ' HB2' ' HA ' ' A' 1719 ' ' ALA . 26.8 mt-10 -73.93 86.23 1.77 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.386 -0.37 . . . . 10.0 111.763 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1724 ' ' ALA . . . . . 0.726 ' HB2' ' HA2' ' A' 1784 ' ' GLY . . . -69.38 -44.91 70.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.312 -0.404 . . . . 10.0 111.424 -179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1725 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.07 -43.74 73.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.915 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1726 ' ' GLN . . . . . 0.745 ' HB2' ' HB3' ' A' 1723 ' ' GLU . 8.6 mt-30 -72.8 -16.93 61.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.881 -0.599 . . . . 10.0 111.879 -179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1727 ' ' LEU . . . . . . . . . . . . . 56.8 tp -55.97 -43.75 77.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.87 0.367 . . . . 10.0 110.915 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1728 ' ' GLY . . . . . . . . . . . . . . . -60.05 -38.4 94.23 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.856 -0.687 . . . . 10.0 112.263 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1729 ' ' HIS . . . . . 0.553 ' ND1' ' HA ' ' A' 1726 ' ' GLN . 40.1 m80 -66.58 -42.54 86.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.793 0.33 . . . . 10.0 110.624 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1730 ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' A' 1726 ' ' GLN . 16.0 mmtp -65.95 -43.68 87.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 10.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1731 ' ' VAL . . . . . . . . . . . . . 79.0 t -63.18 -40.6 89.66 Favored 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-N 115.864 -0.607 . . . . 10.0 111.051 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1732 ' ' SER . . . . . . . . . . . . . 51.8 m -56.44 -44.61 80.61 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.395 -0.366 . . . . 10.0 110.902 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1733 ' ' GLN . . . . . 0.425 ' HB3' HD22 ' A' 1712 ' ' LEU . 77.0 mt-30 -62.58 -43.44 98.81 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.967 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1734 ' ' MET . . . . . . . . . . . . . 37.7 ttm -64.37 -48.28 76.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.194 -0.457 . . . . 10.0 111.653 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1735 ' ' ALA . . . . . . . . . . . . . . . -57.52 -51.17 70.56 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.975 0.731 . . . . 10.0 112.975 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1736 ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -69.29 -12.69 61.88 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.094 0.776 . . . . 10.0 113.094 -178.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1737 ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -100.97 -22.81 14.67 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.108 0.411 . . . . 10.0 112.108 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1738 ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -77.49 -32.04 53.98 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.95 -0.3 . . . . 10.0 111.796 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1739 ' ' GLU . . . . . 0.428 ' N ' ' HD2' ' A' 1740 ' ' PRO . 42.7 tt0 -60.52 -57.3 27.53 Favored Pre-proline 0 CA--C 1.536 0.437 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1740 ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' 1739 ' ' GLU . 18.4 Cg_endo -58.39 -34.38 98.65 Favored 'Trans proline' 0 C--N 1.356 0.946 0 C-N-CA 122.115 1.877 . . . . 10.0 111.608 179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1741 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.74 -43.48 84.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 116.162 -0.472 . . . . 10.0 109.887 179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1742 ' ' THR . . . . . 0.567 HG23 HD12 ' A' 1675 ' ' LEU . 63.4 m -60.91 -49.33 77.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.034 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1743 ' ' LEU . . . . . . . . . . . . . 39.7 mt -60.7 -40.52 92.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.56 . . . . 10.0 110.762 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1744 ' ' ALA . . . . . . . . . . . . . . . -64.28 -46.99 81.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.036 -0.529 . . . . 10.0 110.757 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1745 ' ' ALA . . . . . 0.431 ' HB2' HG21 ' A' 1765 ' ' THR . . . -58.15 -47.27 83.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.799 0.333 . . . . 10.0 111.209 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1746 ' ' VAL . . . . . . . . . . . . . 62.8 t -64.91 -44.87 96.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.723 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1747 ' ' GLY . . . . . . . . . . . . . . . -67.88 -33.23 79.18 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 121.156 -0.545 . . . . 10.0 113.236 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1748 ' ' ALA . . . . . 0.592 ' HB2' HD22 ' A' 1698 ' ' LEU . . . -70.03 -34.64 73.51 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.625 0.25 . . . . 10.0 110.936 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1749 ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.81 74.3 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.933 -179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1750 ' ' SER . . . . . 0.416 ' HB3' ' HB3' ' A' 1687 ' ' LEU . 2.2 p -88.06 -0.57 57.2 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.306 0.484 . . . . 10.0 112.306 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1751 ' ' LYS . . . . . . . . . . . . . 51.3 tttp -116.12 -45.14 2.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.828 0.346 . . . . 10.0 111.861 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1752 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.4 106.99 17.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.47 -178.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1753 ' ' LEU . . . . . . . . . . . . . 26.2 tp -126.11 12.61 7.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.454 0.645 . . . . 10.0 109.757 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1754 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -32.77 70.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.526 -0.761 . . . . 10.0 112.539 -178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1755 ' ' HIS . . . . . . . . . . . . . 27.6 m80 -138.09 156.58 73.9 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 122.287 -0.258 . . . . 10.0 111.625 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1756 ' ' PRO . . . . . . . . . . . . . 29.9 Cg_exo -63.73 -11.62 27.45 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.961 2.44 . . . . 10.0 112.105 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1757 ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -63.57 -14.4 51.05 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.923 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1758 ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -54.34 -45.38 72.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.393 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1759 ' ' MET . . . . . . . . . . . . . 22.1 mmt -78.96 -25.18 43.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.877 -0.602 . . . . 10.0 111.112 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1760 ' ' ALA . . . . . 0.621 ' HB2' ' HB1' ' B' ' 360' ' ' ALA . . . -65.96 -56.39 11.93 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 10.0 109.889 179.439 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1761 ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.05 -32.23 71.86 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.857 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1762 ' ' LEU . . . . . 0.652 HD21 ' HA ' ' A' 1679 ' ' SER . 27.6 tp -65.2 -49.38 69.95 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.469 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1763 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -68.31 -39.56 81.97 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1764 ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -60.86 -47.22 87.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.373 -0.376 . . . . 10.0 111.158 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1765 ' ' THR . . . . . 0.431 HG21 ' HB2' ' A' 1745 ' ' ALA . 14.8 m -66.65 -36.79 83.4 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 178.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1766 ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' 1676 ' ' ASP . 28.3 tttm -61.11 -51.96 66.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.771 -0.65 . . . . 10.0 109.392 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1767 ' ' THR . . . . . . . . . . . . . 10.5 m -62.74 -31.75 72.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.701 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1768 ' ' LEU . . . . . . . . . . . . . 62.7 tp -62.93 -46.14 89.15 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.624 -0.51 . . . . 10.0 109.624 178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1769 ' ' ALA . . . . . . . . . . . . . . . -65.95 -37.11 85.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.937 179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1770 ' ' GLU . . . . . 0.782 ' HB3' ' HB3' ' B' ' 323' ' ' ASN . 39.4 mt-10 -62.05 -40.57 96.22 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.024 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1771 ' ' SER . . . . . . . . . . . . . 15.0 m -68.41 -38.06 80.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.573 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1772 ' ' ALA . . . . . . . . . . . . . . . -64.58 -37.51 87.81 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.09 0.472 . . . . 10.0 110.316 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1773 ' ' LEU . . . . . 0.474 HD21 HD22 ' A' 1669 ' ' ASN . 29.2 tp -62.05 -38.73 89.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.761 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1774 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -31.33 68.62 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.188 179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1775 ' ' LEU . . . . . 0.414 HD11 HD22 ' A' 1716 ' ' LEU . 2.0 tm? -66.26 -42.13 88.96 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.206 -0.665 . . . . 10.0 109.206 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1776 ' ' LEU . . . . . . . . . . . . . 80.6 mt -66.57 -35.11 79.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.437 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1777 ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -63.36 -38.39 90.96 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.932 -0.576 . . . . 10.0 111.027 179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1778 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.57 -38.26 29.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.979 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1779 ' ' ALA . . . . . . . . . . . . . . . -62.94 -31.0 72.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.12 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1780 ' ' LYS . . . . . 0.525 ' HD2' ' HB2' ' A' 1662 ' ' GLU . 9.9 ttpt -73.32 -8.13 54.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.405 -0.361 . . . . 10.0 111.377 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1781 ' ' GLU . . . . . 0.727 ' HB2' HG21 ' A' 1792 ' ' THR . 58.5 mt-10 -107.79 -56.11 2.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.022 0.439 . . . . 10.0 111.427 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1782 ' ' ALA . . . . . 0.405 ' HB1' HE22 ' A' 1793 ' ' GLN . . . -81.36 -8.94 59.82 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1783 ' ' GLY . . . . . . . . . . . . . . . -70.18 94.18 0.45 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.991 -0.623 . . . . 10.0 112.864 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1784 ' ' GLY . . . . . 0.726 ' HA2' ' HB2' ' A' 1724 ' ' ALA . . . 117.39 -43.71 1.58 Allowed Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.732 -0.746 . . . . 10.0 113.456 178.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1785 ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -134.87 110.51 11.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 117.058 0.429 . . . . 10.0 111.777 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1786 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -83.6 -6.93 10.73 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 122.737 2.291 . . . . 10.0 112.919 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1787 ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -78.68 -50.81 10.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.355 . . . . 10.0 111.328 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1788 ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -76.31 -6.98 53.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.162 0.506 . . . . 10.0 110.817 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1789 ' ' ALA . . . . . 0.613 ' HB1' ' HB ' ' A' 1792 ' ' THR . . . -126.61 47.86 2.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.145 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1790 ' ' ALA . . . . . . . . . . . . . . . -58.69 -50.49 73.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.507 -0.769 . . . . 10.0 111.338 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1791 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -68.76 -29.98 68.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.4 -0.364 . . . . 10.0 111.052 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1792 ' ' THR . . . . . 0.727 HG21 ' HB2' ' A' 1781 ' ' GLU . 3.5 m -66.23 -22.56 66.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 10.0 110.811 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1793 ' ' GLN . . . . . 0.405 HE22 ' HB1' ' A' 1782 ' ' ALA . 40.6 mm-40 -59.75 -42.91 94.29 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-O 121.201 0.524 . . . . 10.0 109.7 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1794 ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -84.32 -30.29 25.65 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.52 -0.763 . . . . 10.0 110.601 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1795 ' ' ALA . . . . . 0.447 ' HB3' ' HA ' ' A' 1792 ' ' THR . . . -66.86 -32.61 74.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.473 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1796 ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.3 -38.61 87.43 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.082 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1797 ' ' GLU . . . . . 0.423 ' HA ' HG12 ' A' 1800 ' ' VAL . 11.1 mm-40 -61.25 -41.35 96.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.529 -0.76 . . . . 10.0 110.707 179.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1798 ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.13 -11.81 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 10.0 111.583 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1799 ' ' ALA . . . . . . . . . . . . . . . -97.96 -46.3 5.96 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.428 -0.351 . . . . 10.0 110.314 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1800 ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' 1797 ' ' GLU . 14.6 p -66.51 -42.19 89.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 10.0 112.043 -179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1801 ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -71.8 -28.22 63.46 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 120.912 0.387 . . . . 10.0 111.315 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1802 ' ' MET . . . . . . . . . . . . . 24.0 ttt -68.46 -29.06 67.61 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.165 0.507 . . . . 10.0 109.737 179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1803 ' ' MET . . . . . . . . . . . . . 55.0 mtp -70.25 -47.16 62.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.274 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1804 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -35.08 74.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.516 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1805 ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -55.96 -50.22 71.39 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.461 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1806 ' ' ALA . . . . . . . . . . . . . . . -70.47 -38.36 74.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.628 -0.714 . . . . 10.0 111.12 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1807 ' ' VAL . . . . . . . . . . . . . 41.1 t -55.81 -52.07 52.89 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.277 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1808 ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -60.31 -43.69 96.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.388 -0.369 . . . . 10.0 111.757 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1809 ' ' ASP . . . . . . . . . . . . . 5.0 t0 -63.78 -44.56 93.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.209 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1810 ' ' LEU . . . . . . . . . . . . . 58.3 tp -66.0 -36.0 82.08 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.145 -0.48 . . . . 10.0 111.113 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1811 ' ' THR . . . . . . . . . . . . . 63.0 m -58.15 -40.81 82.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.781 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1812 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.4 -43.04 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 10.0 110.586 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1813 ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.93 -35.27 78.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.528 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1814 ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -46.86 71.74 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.481 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1815 ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.02 -38.24 85.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.972 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1816 ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -76.16 -24.29 54.8 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.795 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1817 ' ' ALA . . . . . . . . . . . . . . . -64.13 -23.84 67.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.499 -0.319 . . . . 10.0 111.43 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1818 ' ' ALA . . . . . . . . . . . . . . . -58.42 -30.21 66.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 10.0 111.877 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1819 ' ' SER . . . . . . . . . . . . . 3.7 m -131.43 25.61 4.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.662 0.268 . . . . 10.0 111.459 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1820 ' ' ALA . . . . . . . . . . . . . . . -146.48 8.09 1.01 Allowed 'General case' 0 C--O 1.232 0.18 0 N-CA-C 112.5 0.556 . . . . 10.0 112.5 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1821 ' ' ALA . . . . . . . . . . . . . . . -104.96 -79.41 0.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.817 0.341 . . . . 10.0 111.394 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1822 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.533 -1.149 . . . . 10.0 111.553 179.857 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 311' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.486 0.184 . . . . 10.0 110.695 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 312' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -110.76 120.62 42.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.785 0.326 . . . . 10.0 110.748 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 313' ' ' PHE . . . . . . . . . . . . . 62.9 m-85 -117.77 143.27 46.39 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.845 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 314' ' ' LEU . . . . . . . . . . . . . 58.5 tp -85.68 126.23 33.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.961 -0.563 . . . . 10.0 109.916 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 315' ' ' VAL . . . . . 0.572 HG12 ' HB ' ' B' ' 382' ' ' THR . 16.4 m -132.69 153.76 38.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.97 0.414 . . . . 10.0 111.502 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 316' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' B' ' 325' ' ' LEU . 85.7 mttt -109.45 120.08 41.4 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.73 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 317' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' B' ' 325' ' ' LEU . 7.9 mt-10 -94.94 170.13 9.65 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.978 -0.555 . . . . 10.0 112.098 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 318' ' ' LYS . . . . . . . . . . . . . 55.5 pttt -148.36 151.77 35.89 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.75 -0.833 . . . . 10.0 108.75 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 319' ' ' MET . . . . . . . . . . . . . 21.6 ttt -124.68 144.59 50.13 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 121.015 -0.274 . . . . 10.0 111.571 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 320' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -67.32 99.15 0.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 10.0 110.58 179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 321' ' ' GLY . . . . . . . . . . . . . . . 144.0 -60.72 0.51 Allowed Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.499 -1.04 . . . . 10.0 110.499 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 322' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -104.21 97.35 7.32 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.113 -0.699 . . . . 10.0 109.113 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 323' ' ' ASN . . . . . 0.782 ' HB3' ' HB3' ' A' 1770 ' ' GLU . 0.7 OUTLIER -69.36 86.08 0.42 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.19 -0.914 . . . . 10.0 111.775 -178.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 324' ' ' LYS . . . . . 0.471 ' HA ' ' HD2' ' B' ' 324' ' ' LYS . 24.2 tptt -157.3 148.94 22.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.2 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 325' ' ' LEU . . . . . 0.512 ' HB3' ' HB3' ' B' ' 316' ' ' LYS . 89.3 mt -91.79 131.49 37.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.894 0.378 . . . . 10.0 111.941 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' VAL . . . . . . . . . . . . . 5.9 m -119.29 137.43 25.28 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.589 . . . . 10.0 110.331 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.99 128.7 15.24 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 123.0 2.467 . . . . 10.0 113.26 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' ARG . . . . . 0.765 ' HD2' ' HA ' ' B' ' 341' ' ' ASP . 16.0 tpp180 -136.31 164.84 27.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.89 -0.596 . . . . 10.0 109.408 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' LEU . . . . . 0.452 ' H ' ' HG3' ' B' ' 328' ' ' ARG . 77.8 mt -112.15 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.941 0.4 . . . . 10.0 110.995 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 18.5 tp -102.97 117.83 35.46 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.798 0.332 . . . . 10.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' GLY . . . . . . . . . . . . . . . -98.87 103.5 2.76 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.043 -0.599 . . . . 10.0 111.745 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 51.9 mt -98.57 124.3 51.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.787 0.327 . . . . 10.0 110.951 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' THR . . . . . . . . . . . . . 48.4 p -116.91 -167.17 1.25 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.344 -0.613 . . . . 10.0 109.344 179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.6 12.19 30.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.721 0.296 . . . . 10.0 111.051 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -138.41 -52.63 0.6 Allowed 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.097 0.406 . . . . 10.0 112.097 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -135.52 142.0 45.35 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.632 0.605 . . . . 10.0 112.632 -178.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' VAL . . . . . . . . . . . . . 33.7 t -94.62 108.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.755 -1.202 . . . . 10.0 107.755 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' MET . . . . . . . . . . . . . 14.3 ptt? -95.98 127.74 42.26 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' ARG . . . . . 0.553 ' HB2' ' HZ3' ' B' ' 351' ' ' TRP . 37.0 ttt180 -88.34 100.19 12.83 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.938 -1.134 . . . . 10.0 107.938 178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' VAL . . . . . 0.464 HG22 HG22 ' B' ' 347' ' ' VAL . 13.7 t -102.08 132.61 47.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.338 0.59 . . . . 10.0 112.044 -177.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' ASP . . . . . 0.765 ' HA ' ' HD2' ' B' ' 328' ' ' ARG . 9.5 t0 -80.69 145.43 31.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.951 179.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -91.68 -18.74 23.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.729 0.3 . . . . 10.0 111.422 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -79.54 -57.86 3.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.149 0.499 . . . . 10.0 111.242 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -91.97 -12.21 33.98 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.869 -0.605 . . . . 10.0 111.478 -179.333 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' B' ' 341' ' ' ASP . 30.7 mmtp 57.41 52.09 9.06 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.198 0.523 . . . . 10.0 111.323 -179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -133.71 153.33 51.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.933 -0.576 . . . . 10.0 110.702 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' VAL . . . . . 0.464 HG22 HG22 ' B' ' 340' ' ' VAL . 58.4 t -82.15 113.12 20.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 179.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' ILE . . . . . . . . . . . . . 41.2 mt -72.75 -45.49 56.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.47 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -172.05 151.18 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.631 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -123.21 154.02 39.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.804 0.335 . . . . 10.0 110.952 179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' TRP . . . . . 0.553 ' HZ3' ' HB2' ' B' ' 339' ' ' ARG . 29.6 m-90 -116.24 136.91 52.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.652 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.03 142.0 47.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.173 -0.467 . . . . 10.0 110.55 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' LEU . . . . . . . . . . . . . 30.1 tp -62.44 -48.7 78.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 10.0 111.193 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.56 39.7 0.35 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.192 0.52 . . . . 10.0 111.73 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -133.86 -13.26 2.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.486 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' ILE . . . . . . . . . . . . . 33.5 mt -69.28 134.32 30.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.312 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -102.91 -57.04 2.11 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.049 0.452 . . . . 10.0 111.336 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -152.34 163.31 39.73 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.127 -0.488 . . . . 10.0 109.937 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.19 144.18 33.29 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.082 0.468 . . . . 10.0 111.587 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' ALA . . . . . 0.621 ' HB1' ' HB2' ' A' 1760 ' ' ALA . . . -109.48 102.51 11.38 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.115 -0.698 . . . . 10.0 109.115 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' ALA . . . . . . . . . . . . . . . -92.8 94.91 9.22 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.899 -0.591 . . . . 10.0 112.363 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' SER . . . . . 0.477 ' HB2' ' O ' ' B' ' 365' ' ' SER . 43.5 m -98.86 167.25 11.66 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.304 -0.999 . . . . 10.0 108.304 178.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -54.0 -37.91 86.47 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.577 2.184 . . . . 10.0 113.107 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -120.48 -55.72 2.01 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.174 0.435 . . . . 10.0 112.174 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' B' ' 362' ' ' SER . 3.5 m -77.66 138.49 39.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.304 0.573 . . . . 10.0 112.53 -178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -124.21 102.01 7.49 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.896 -0.593 . . . . 10.0 109.788 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' B' ' 360' ' ' ALA . 0.7 OUTLIER -89.05 122.68 32.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.803 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' LEU . . . . . . . . . . . . . 28.0 mt -108.45 129.63 55.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.682 0.277 . . . . 10.0 111.091 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 369' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -120.37 129.02 53.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.7 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 370' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -118.95 169.22 10.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.851 0.357 . . . . 10.0 111.33 -178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 371' ' ' GLY . . . . . . . . . . . . . . . -82.25 -137.8 2.69 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.864 -0.684 . . . . 10.0 112.546 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 372' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -79.8 87.63 5.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.826 0.346 . . . . 10.0 110.449 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 373' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -167.5 -43.39 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.475 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 374' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -92.36 147.03 23.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 375' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -54.79 6.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.481 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 376' ' ' GLY . . . . . . . . . . . . . . . -120.14 -126.92 3.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.483 -0.865 . . . . 10.0 112.719 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 377' ' ' TYR . . . . . 0.466 ' HE2' ' HB ' ' A' 1683 ' ' VAL . 2.6 m-85 -123.43 162.43 22.83 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.68 0.276 . . . . 10.0 111.365 -179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 378' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -139.48 101.37 4.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.99 -0.55 . . . . 10.0 109.827 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 379' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.77 124.34 44.85 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.006 -0.543 . . . . 10.0 110.388 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 380' ' ' VAL . . . . . . . . . . . . . 10.1 m -129.63 170.31 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.219 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 381' ' ' GLN . . . . . 0.402 ' HB3' ' HB2' ' B' ' 316' ' ' LYS . 37.0 tt0 -106.61 131.71 53.45 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 179.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 382' ' ' THR . . . . . 0.572 ' HB ' HG12 ' B' ' 315' ' ' VAL . 14.2 t -154.13 141.76 19.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.195 0.521 . . . . 10.0 110.657 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 383' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.48 -25.83 59.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.586 -178.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 384' ' ' GLU . . . . . 0.4 ' HB3' ' HB2' ' B' ' 387' ' ' GLN . 41.7 mt-10 -106.1 41.54 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.705 0.632 . . . . 10.0 112.705 -178.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 385' ' ' GLY . . . . . . . . . . . . . . . -60.17 -40.17 96.89 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.964 -0.636 . . . . 10.0 112.314 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 386' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.35 -39.95 93.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 10.0 111.238 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 387' ' ' GLN . . . . . 0.4 ' HB2' ' HB3' ' B' ' 384' ' ' GLU . 21.3 mp0 -64.27 -41.96 96.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.626 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 388' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.27 -46.5 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 10.0 110.605 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 389' ' ' ALA . . . . . . . . . . . . . . . -58.44 -47.03 85.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.15 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 390' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -64.64 -38.56 91.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.764 179.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 391' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.42 -46.36 90.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.319 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 392' ' ' ILE . . . . . 0.411 ' O ' HG13 ' B' ' 396' ' ' ILE . 96.5 mt -61.63 -46.52 96.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 10.0 110.413 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 393' ' ' ALA . . . . . . . . . . . . . . . -60.55 -33.99 73.48 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.969 -0.56 . . . . 10.0 111.356 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 394' ' ' GLY . . . . . . . . . . . . . . . -69.04 -35.0 77.49 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.087 -0.577 . . . . 10.0 112.09 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 395' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -71.31 -30.99 66.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.915 0.388 . . . . 10.0 111.044 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 396' ' ' ILE . . . . . 0.411 HG13 ' O ' ' B' ' 392' ' ' ILE . 78.8 mt -63.89 -31.63 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.254 0.549 . . . . 10.0 109.716 178.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 397' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.04 -28.46 69.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.44 -0.8 . . . . 10.0 110.858 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 398' ' ' ILE . . . . . . . . . . . . . 48.8 mt -71.04 -38.51 72.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 121.092 0.472 . . . . 10.0 109.828 179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 399' ' ' ILE . . . . . . . . . . . . . 32.6 mt -69.83 -37.08 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.92 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 400' ' ' LEU . . . . . . . . . . . . . 36.0 mt -103.96 52.75 0.76 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.163 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 401' ' ' LYS . . . . . . . . . . . . . 26.5 tptt . . . . . 0 C--O 1.245 0.825 0 CA-C-O 118.669 -0.681 . . . . 10.0 110.441 -179.511 . . . . . . . . 0 0 . 1 stop_ save_