data_1il8_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 1il8 _Structure_validation_residue.Date_analyzed 2016-10-06 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 full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.495 -0.558 . . . . 6.3499999999999996 109.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -130.83 -66.47 0.75 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.865 -0.734 . . . . 7.6900000000000004 110.08 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -143.79 125.26 14.81 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.554 -0.858 . . . . 4.4100000000000001 110.269 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -132.19 131.31 42.07 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.852 -0.739 . . . . 5.4900000000000002 109.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.32 154.34 17.49 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.356 -0.938 . . . . 4.2699999999999996 110.552 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.9 m -62.15 156.73 20.93 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.556 -0.857 . . . . 0.63 109.825 179.512 -80.058 -92.372 89.029 104.086 2.02 104.07 55.14 -150.473 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -63.77 -27.24 69.06 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.767 -1.173 . . . . 1.9299999999999999 109.672 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.22 111.13 16.58 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.987 -0.685 . . . . 0.78000000000000003 110.296 179.712 -74.045 -74.724 -78.052 104.176 2.018 104.115 -109.087 -72.606 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -92.29 -33.8 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 C-N-CA 119.39 -0.924 . . . . 1.8600000000000001 109.84 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -119.67 174.24 6.53 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 120.035 -0.666 . . . . 3.4900000000000002 109.799 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.7 p -136.53 179.07 6.59 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 119.491 -0.884 . . . . 1.1799999999999999 110.367 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.09 119.99 39.56 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.862 -0.735 . . . . 1.01 110.267 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.1 p -99.09 37.77 1.49 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.582 -0.847 . . . . 0.96999999999999997 110.396 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -143.26 103.02 5.11 Favored Pre-proline 0 N--CA 1.493 1.719 0 C-N-CA 119.653 -0.819 . . . . 3.2000000000000002 109.544 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -58.98 142.5 99.41 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.827 1.018 . . . . 0.48999999999999999 111.53 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -138.52 -167.39 2.18 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.696 -0.801 . . . . 1.02 110.429 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -115.68 141.61 27.68 Favored Pre-proline 0 N--CA 1.499 2.01 0 CA-C-N 115.596 -0.729 . . . . 0.47999999999999998 110.057 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -55.83 -12.2 6.49 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 120.776 0.984 . . . . 0.34000000000000002 111.166 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -52.11 -30.81 27.98 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 119.402 -0.919 . . . . 1.9299999999999999 109.896 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -90.8 -11.36 39.68 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.928 -0.709 . . . . 0.66000000000000003 110.553 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -92.15 128.59 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.68 -0.808 . . . . 1.77 110.527 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -120.51 -25.95 5.46 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 115.249 -0.887 . . . . 2.1400000000000001 109.599 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -136.15 133.94 37.72 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 119.403 -0.919 . . . . 1.47 110.533 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -109.11 149.09 29.84 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 120.026 -0.669 . . . . 1.1599999999999999 110.076 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ILE . 10.3 mtp180 -143.9 123.18 13.02 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.397 -0.921 . . . . 2.4199999999999999 110.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.95 123.04 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 119.904 -0.718 . . . . 1.1299999999999999 110.041 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.21 118.61 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 C-N-CA 119.931 -0.708 . . . . 1.2 110.202 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 30' ' ' SER . 59.5 tt0 -78.3 164.98 24.4 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.653 -0.819 . . . . 1.55 110.273 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ASN . 6.8 p -40.88 123.62 1.97 Allowed 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.937 -0.705 . . . . 1.01 110.418 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' C ' ' H ' ' A' ' 33' ' ' HIS . . . -122.86 -172.79 13.99 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.017 -1.233 . . . . 0.41999999999999998 110.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.99 -0.51 3.33 Favored 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.749 1.633 . . . . 0.58999999999999997 110.009 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.557 ' H ' ' HD1' ' A' ' 33' ' ' HIS . 8.4 p-80 -120.12 -20.55 7.36 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 115.197 -0.91 . . . . 0.52000000000000002 109.75 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.8 t -136.82 131.71 33.65 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.737 -0.785 . . . . 0.45000000000000001 110.134 -179.714 -150.473 55.14 89.029 104.07 2.02 104.086 -92.372 -80.058 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 36' ' ' ASN . . . -97.77 24.38 6.89 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.58 -0.848 . . . . 1.1399999999999999 110.289 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 51.3 m-20 -140.28 -149.48 0.28 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.551 -0.86 . . . . 1.8899999999999999 110.534 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.32 140.29 50.65 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 115.345 -0.843 . . . . 1.1000000000000001 109.887 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -137.24 129.78 29.98 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.707 -0.797 . . . . 2.5499999999999998 110.196 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.24 102.49 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 119.542 -0.863 . . . . 1.3100000000000001 110.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 41' ' ' VAL . 15.7 mt -89.88 161.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 119.402 -0.919 . . . . 1.48 109.926 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.488 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 8.1 p -149.18 160.51 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.24 -0.984 . . . . 1.1200000000000001 110.53 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -129.32 130.24 45.86 Favored 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 119.838 -0.745 . . . . 2.1800000000000002 110.493 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 43' ' ' LEU . 9.1 mp -92.57 145.18 24.64 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.866 -0.734 . . . . 1.1899999999999999 110.495 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.456 ' C ' ' H ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -48.8 -33.48 10.5 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.564 -0.744 . . . . 0.96999999999999997 111.38 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -6.3 0.83 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.149 -1.021 . . . . 1.1899999999999999 110.32 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.456 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 89.17 28.41 20.44 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.438 -1.363 . . . . 0.58999999999999997 110.193 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -113.23 164.15 13.89 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 119.65 -0.82 . . . . 3.0600000000000001 110.433 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 7.3 pt-20 -137.29 128.15 27.3 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.721 -0.792 . . . . 2.1899999999999999 110.192 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.49 -176.37 3.8 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.95 -0.7 . . . . 1.3999999999999999 110.077 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.4 m -132.22 132.79 43.44 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 119.792 -0.763 . . . . 0.53000000000000003 110.152 -179.827 -72.606 -109.087 -78.052 104.115 2.018 104.176 -74.724 -74.045 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.2 mt -106.67 156.9 18.14 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.753 -0.779 . . . . 1.1799999999999999 110.346 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 54' ' ' LYS . 10.8 t0 -106.7 109.71 63.28 Favored Pre-proline 0 N--CA 1.492 1.644 0 C-N-CA 119.792 -0.763 . . . . 1.03 109.684 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.25 -2.53 1.33 Allowed 'Trans proline' 0 C--O 1.216 -0.616 0 C-N-CA 120.455 0.77 . . . . 0.72999999999999998 110.395 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 52' ' ' ASP . 16.5 tttp -77.32 -11.61 59.85 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.701 -0.8 . . . . 3.2999999999999998 110.323 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -101.42 138.45 38.4 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.393 -0.923 . . . . 1.6499999999999999 110.2 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -66.16 -40.12 90.3 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.438 -0.905 . . . . 2.54 111.199 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -62.8 -21.35 65.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 118.502 -1.279 . . . . 0.42999999999999999 110.514 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -75.63 -39.73 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 C-N-CA 118.667 -1.213 . . . . 1.1200000000000001 109.387 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -68.06 -19.72 64.9 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.332 -0.947 . . . . 2.6099999999999999 109.629 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.57 -59.42 2.25 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.53 -0.868 . . . . 3.3599999999999999 111.277 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.36 -32.59 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 118.775 -1.17 . . . . 1.1000000000000001 109.426 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.84 -40.41 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 119.207 -0.997 . . . . 1.1000000000000001 109.307 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.21 -41.07 92.25 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.292 -0.963 . . . . 1.9199999999999999 109.794 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -62.3 -41.6 98.65 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.115 -1.034 . . . . 2.29 109.949 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -55.1 -44.55 75.01 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.858 -1.137 . . . . 0.25 110.119 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.1 -44.15 85.18 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 119.413 -0.915 . . . . 1.6499999999999999 110.244 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -67.45 -25.96 66.16 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.406 -0.918 . . . . 2.77 110.186 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -82.61 -44.69 15.49 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.415 -0.914 . . . . 3.5800000000000001 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.41 -23.07 63.65 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.352 -0.939 . . . . 1.0900000000000001 110.005 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -82.87 -41.92 18.4 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.439 -0.904 . . . . 1.8500000000000001 110.089 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' OXT' ' A' ' 72' ' ' SER . 8.2 t-20 -69.95 -26.95 64.37 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.459 -0.896 . . . . 2.1099999999999999 110.218 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.421 ' OXT' ' O ' ' A' ' 71' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 116.332 -1.794 . . . . 1.77 110.173 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.439 -0.578 . . . . 6.3499999999999996 109.439 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LYS . . . . . 0.58 ' CD ' ' N ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -130.81 -66.54 0.75 Allowed 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.935 -0.706 . . . . 7.6900000000000004 110.111 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -143.85 125.3 14.79 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.487 -0.885 . . . . 4.4100000000000001 110.199 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -132.16 131.24 42.06 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.891 -0.724 . . . . 5.4900000000000002 109.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.37 154.3 17.54 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.337 -0.945 . . . . 4.2699999999999996 110.5 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.0 m -62.15 156.75 20.88 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.556 -0.858 . . . . 0.63 109.858 179.544 -80.047 -92.43 88.979 104.096 2.018 104.107 55.187 -150.444 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -63.54 -27.93 69.6 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 118.936 -1.106 . . . . 1.9199999999999999 109.476 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' B' ' 40' ' ' ILE . 60.8 m -121.71 111.09 16.74 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 120.012 -0.675 . . . . 0.78000000000000003 110.307 179.883 -73.937 -74.786 -78.004 104.125 2.019 104.134 -109.098 -72.595 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 mt -92.2 -33.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 C-N-CA 119.372 -0.931 . . . . 1.8500000000000001 109.891 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -119.67 174.31 6.49 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 120.05 -0.66 . . . . 3.4900000000000002 109.827 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -136.59 179.13 6.55 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 119.569 -0.853 . . . . 1.1799999999999999 110.349 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.23 119.98 39.55 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 119.754 -0.778 . . . . 1.0 110.209 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.2 p -98.99 37.73 1.49 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.605 -0.838 . . . . 0.96999999999999997 110.475 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -143.27 102.92 5.11 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 119.73 -0.788 . . . . 3.2000000000000002 109.593 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -58.93 142.5 99.27 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.852 1.035 . . . . 0.47999999999999998 111.528 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -138.61 -167.42 2.19 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.752 -0.779 . . . . 1.03 110.414 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.403 ' ND1' ' HB2' ' B' ' 20' ' ' LYS . 66.1 t-80 -115.65 141.64 27.71 Favored Pre-proline 0 N--CA 1.5 2.05 0 CA-C-N 115.559 -0.746 . . . . 0.47999999999999998 110.022 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -55.82 -12.14 6.35 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 120.837 1.025 . . . . 0.33000000000000002 111.23 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.403 ' HB2' ' ND1' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -52.19 -30.84 28.93 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 119.509 -0.876 . . . . 1.9299999999999999 109.888 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.8 -11.3 39.84 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 119.817 -0.753 . . . . 0.66000000000000003 110.623 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -92.19 128.6 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 119.654 -0.818 . . . . 1.77 110.526 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -120.53 -25.88 5.47 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.273 -0.876 . . . . 2.1299999999999999 109.688 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -136.16 133.91 37.68 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 119.431 -0.907 . . . . 1.47 110.528 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -109.15 149.13 29.81 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.96 -0.696 . . . . 1.1699999999999999 110.09 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' B' ' 40' ' ' ILE . 10.3 mtp180 -143.97 123.21 12.99 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.389 -0.924 . . . . 2.4199999999999999 110.239 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.01 123.06 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 C-N-CA 119.93 -0.708 . . . . 1.1200000000000001 110.084 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.25 118.59 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 119.916 -0.714 . . . . 1.2 110.21 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' B' ' 30' ' ' SER . 59.7 tt0 -78.32 164.99 24.37 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.64 -0.824 . . . . 1.55 110.233 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 36' ' ' ASN . 6.8 p -40.93 123.62 1.99 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.859 -0.737 . . . . 1.0 110.437 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 34' ' ' CYS . . . -122.84 -172.75 13.99 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.046 -1.221 . . . . 0.41999999999999998 110.046 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.02 -0.44 3.3 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.708 1.605 . . . . 0.58999999999999997 110.064 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' HIS . . . . . 0.53 ' H ' ' HD1' ' B' ' 33' ' ' HIS . 8.3 p-80 -120.19 -20.43 7.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.17 -0.923 . . . . 0.52000000000000002 109.745 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' B' ' 31' ' ' GLY . 1.8 t -136.89 131.57 33.32 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 119.787 -0.765 . . . . 0.45000000000000001 110.18 -179.731 -150.444 55.187 88.979 104.107 2.018 104.096 -92.43 -80.047 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' B' ' 36' ' ' ASN . . . -97.66 24.4 6.8 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.573 -0.851 . . . . 1.1399999999999999 110.41 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' SER . 51.9 m-20 -140.28 -149.44 0.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.468 -0.893 . . . . 1.8799999999999999 110.47 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.32 140.21 50.66 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.258 -0.883 . . . . 1.1000000000000001 109.916 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -137.13 129.81 30.25 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.647 -0.821 . . . . 2.5899999999999999 110.178 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.26 102.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 119.553 -0.859 . . . . 1.3 110.352 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' B' ' 26' ' ' ARG . 15.7 mt -89.87 161.55 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 119.436 -0.906 . . . . 1.46 109.924 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.478 ' N ' ' CG2' ' B' ' 40' ' ' ILE . 8.2 p -149.23 160.51 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 119.204 -0.998 . . . . 1.1000000000000001 110.471 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -129.38 130.27 45.82 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 119.743 -0.783 . . . . 2.1800000000000002 110.554 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' B' ' 43' ' ' LEU . 9.1 mp -92.57 145.24 24.59 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.883 -0.727 . . . . 1.1899999999999999 110.518 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.462 ' C ' ' H ' ' B' ' 46' ' ' GLY . 1.0 OUTLIER -48.84 -33.47 10.62 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.543 -0.753 . . . . 0.97999999999999998 111.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -6.24 0.86 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.143 -1.023 . . . . 1.1899999999999999 110.364 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' B' ' 44' ' ' SER . . . 89.07 28.47 20.53 Favored Glycine 0 N--CA 1.489 2.196 0 C-N-CA 119.402 -1.38 . . . . 0.60999999999999999 110.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -113.3 164.13 13.95 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 119.69 -0.804 . . . . 3.0 110.339 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' B' ' 48' ' ' GLU . 7.3 pt-20 -137.33 128.15 27.22 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.651 -0.819 . . . . 2.1899999999999999 110.172 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.46 -176.37 3.8 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.873 -0.731 . . . . 1.3999999999999999 110.062 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 66.4 m -132.19 132.74 43.44 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.86 -0.736 . . . . 0.54000000000000004 110.184 -179.834 -72.595 -109.098 -78.004 104.134 2.019 104.125 -74.786 -73.937 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 19.2 mt -106.57 156.86 18.14 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.753 -0.779 . . . . 1.1799999999999999 110.349 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' B' ' 54' ' ' LYS . 10.8 t0 -106.71 109.77 63.32 Favored Pre-proline 0 N--CA 1.492 1.659 0 C-N-CA 119.85 -0.74 . . . . 1.05 109.645 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.35 -2.52 1.38 Allowed 'Trans proline' 0 C--O 1.214 -0.68 0 C-N-CA 120.453 0.769 . . . . 0.70999999999999996 110.323 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' B' ' 52' ' ' ASP . 16.5 tttp -77.28 -11.61 59.85 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.619 -0.833 . . . . 3.2999999999999998 110.366 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -101.45 138.51 38.37 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 119.42 -0.912 . . . . 1.6499999999999999 110.147 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.16 -40.19 90.36 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.459 -0.897 . . . . 2.3799999999999999 111.135 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -62.76 -21.41 65.81 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.592 -1.243 . . . . 0.42999999999999999 110.544 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -75.58 -39.74 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 118.703 -1.199 . . . . 1.1200000000000001 109.44 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.04 -19.76 64.92 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 119.329 -0.948 . . . . 2.6400000000000001 109.593 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.53 -59.42 2.25 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.575 -0.85 . . . . 3.3999999999999999 111.297 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 17.5 m -57.35 -32.64 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 118.767 -1.173 . . . . 1.1200000000000001 109.491 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.84 -40.34 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.116 -1.034 . . . . 1.1200000000000001 109.286 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.23 -41.1 92.42 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.315 -0.954 . . . . 1.8899999999999999 109.785 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -62.22 -41.56 98.5 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.099 -1.041 . . . . 2.3199999999999998 109.983 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -55.1 -44.59 75.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 118.924 -1.111 . . . . 0.25 110.099 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.16 -44.08 85.11 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.401 -0.92 . . . . 1.6499999999999999 110.252 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -67.47 -25.92 66.12 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.372 -0.931 . . . . 2.8399999999999999 110.183 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -82.63 -44.75 15.39 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.461 -0.895 . . . . 3.5499999999999998 110.324 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.16 63.73 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 119.408 -0.917 . . . . 1.0900000000000001 109.997 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -82.89 -41.86 18.43 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.47 -0.892 . . . . 1.9099999999999999 110.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASN . . . . . 0.404 ' O ' ' OXT' ' B' ' 72' ' ' SER . 8.2 t-20 -69.96 -26.93 64.35 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.499 -0.88 . . . . 2.1299999999999999 110.184 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' SER . . . . . 0.404 ' OXT' ' O ' ' B' ' 71' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 116.326 -1.797 . . . . 1.77 110.196 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.495 -0.558 . . . . 6.12 109.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -130.83 -66.47 0.75 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.865 -0.734 . . . . 7.41 110.08 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -143.79 125.26 14.81 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.554 -0.858 . . . . 4.41 110.269 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -132.19 131.31 42.07 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.852 -0.739 . . . . 5.1 109.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.32 154.34 17.49 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.356 -0.938 . . . . 3.67 110.552 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.9 m -62.15 156.73 20.93 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.556 -0.857 . . . . 0.57 109.825 179.512 -80.058 -92.372 89.029 104.086 2.02 104.07 55.14 -150.473 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -63.77 -27.24 69.06 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.767 -1.173 . . . . 1.49 109.672 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.22 111.13 16.58 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.987 -0.685 . . . . 0.78 110.296 179.712 -74.045 -74.724 -78.052 104.176 2.018 104.115 -109.087 -72.606 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -92.29 -33.8 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 C-N-CA 119.39 -0.924 . . . . 1.24 109.84 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -119.67 174.24 6.53 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 120.035 -0.666 . . . . 3.1 109.799 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.7 p -136.53 179.07 6.59 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 119.491 -0.884 . . . . 0.39 110.367 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.09 119.99 39.56 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.862 -0.735 . . . . 0.54 110.267 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.1 p -99.09 37.77 1.49 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.582 -0.847 . . . . 0.41 110.396 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -143.26 103.02 5.11 Favored Pre-proline 0 N--CA 1.493 1.719 0 C-N-CA 119.653 -0.819 . . . . 2.64 109.544 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -58.98 142.5 99.41 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.827 1.018 . . . . 0.45 111.53 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 22' ' ' ILE . 39.6 p90 -138.52 -167.39 2.18 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.696 -0.801 . . . . 0.75 110.429 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 66.1 t-80 -115.68 141.61 27.68 Favored Pre-proline 0 N--CA 1.499 2.01 0 CA-C-N 115.596 -0.729 . . . . 0.4 110.057 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 18' ' ' HIS . 5.9 Cg_exo -55.83 -12.2 6.49 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 120.776 0.984 . . . . 0.32 111.166 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HB2' ' ND1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -52.11 -30.81 27.98 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 119.402 -0.919 . . . . 1.45 109.896 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -90.8 -11.36 39.68 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.928 -0.709 . . . . 0.55 110.553 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -92.15 128.59 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.68 -0.808 . . . . 1.12 110.527 -179.178 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -120.51 -25.95 5.46 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 115.249 -0.887 . . . . 1.58 109.599 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -136.15 133.94 37.72 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 119.403 -0.919 . . . . 1.47 110.533 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -109.11 149.09 29.84 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 120.026 -0.669 . . . . 0.39 110.076 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ILE . 10.3 mtp180 -143.9 123.18 13.02 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.397 -0.921 . . . . 1.95 110.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.95 123.04 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 119.904 -0.718 . . . . 0.36 110.041 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.21 118.61 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 C-N-CA 119.931 -0.708 . . . . 0.44 110.202 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 30' ' ' SER . 59.5 tt0 -78.3 164.98 24.4 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.653 -0.819 . . . . 1.55 110.273 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ASN . 6.8 p -40.88 123.62 1.97 Allowed 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.937 -0.705 . . . . 0.45 110.418 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -122.86 -172.79 13.99 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.017 -1.233 . . . . 0.42 110.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.99 -0.51 3.33 Favored 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.749 1.633 . . . . 0.55 110.009 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 31' ' ' GLY . 8.4 p-80 -120.12 -20.55 7.36 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 115.197 -0.91 . . . . 0.51 109.75 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.8 t -136.82 131.71 33.65 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.737 -0.785 . . . . 0.45 110.134 -179.714 -150.473 55.14 89.029 104.07 2.02 104.086 -92.372 -80.058 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 36' ' ' ASN . . . -97.77 24.38 6.89 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.58 -0.848 . . . . 0.53 110.289 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 51.3 m-20 -140.28 -149.48 0.28 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.551 -0.86 . . . . 1.19 110.534 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.32 140.29 50.65 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 115.345 -0.843 . . . . 0.46 109.887 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -137.24 129.78 29.98 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.707 -0.797 . . . . 2.55 110.196 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.24 102.49 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 119.542 -0.863 . . . . 0.62 110.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 41' ' ' VAL . 15.7 mt -89.88 161.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 119.402 -0.919 . . . . 0.76 109.926 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.523 ' N ' HG22 ' A' ' 40' ' ' ILE . 8.1 p -149.18 160.51 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.24 -0.984 . . . . 0.37 110.53 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' N ' HG22 ' A' ' 41' ' ' VAL . 1.2 mttt -129.32 130.24 45.86 Favored 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 119.838 -0.745 . . . . 1.67 110.493 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 43' ' ' LEU . 9.1 mp -92.57 145.18 24.64 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.866 -0.734 . . . . 0.51 110.495 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -48.8 -33.48 10.5 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.564 -0.744 . . . . 0.55 111.38 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -6.3 0.83 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.149 -1.021 . . . . 1.19 110.32 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 89.17 28.41 20.44 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.438 -1.363 . . . . 0.56 110.193 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -113.23 164.15 13.89 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 119.65 -0.82 . . . . 2.5 110.433 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 7.3 pt-20 -137.29 128.15 27.3 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.721 -0.792 . . . . 2.19 110.192 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.49 -176.37 3.8 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.95 -0.7 . . . . 0.75 110.077 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.4 m -132.22 132.79 43.44 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 119.792 -0.763 . . . . 0.53 110.152 -179.827 -72.606 -109.087 -78.052 104.115 2.018 104.176 -74.724 -74.045 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.2 mt -106.67 156.9 18.14 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.753 -0.779 . . . . 0.44 110.346 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 54' ' ' LYS . 10.8 t0 -106.7 109.71 63.28 Favored Pre-proline 0 N--CA 1.492 1.644 0 C-N-CA 119.792 -0.763 . . . . 1.03 109.684 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.25 -2.53 1.33 Allowed 'Trans proline' 0 C--O 1.216 -0.616 0 C-N-CA 120.455 0.77 . . . . 0.63 110.395 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 52' ' ' ASP . 16.5 tttp -77.32 -11.61 59.85 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.701 -0.8 . . . . 2.78 110.323 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -101.42 138.45 38.4 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.393 -0.923 . . . . 1.65 110.2 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -66.16 -40.12 90.3 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.438 -0.905 . . . . 1.95 111.199 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -62.8 -21.35 65.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 118.502 -1.279 . . . . 0.41 110.514 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -75.63 -39.73 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 C-N-CA 118.667 -1.213 . . . . 0.34 109.387 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -68.06 -19.72 64.9 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.332 -0.947 . . . . 2.03 109.629 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.57 -59.42 2.25 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.53 -0.868 . . . . 2.82 111.277 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.36 -32.59 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 118.775 -1.17 . . . . 0.36 109.426 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.84 -40.41 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 119.207 -0.997 . . . . 0.31 109.307 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.21 -41.07 92.25 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.292 -0.963 . . . . 1.92 109.794 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -62.3 -41.6 98.65 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.115 -1.034 . . . . 1.84 109.949 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -55.1 -44.55 75.01 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.858 -1.137 . . . . 0.25 110.119 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.1 -44.15 85.18 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 119.413 -0.915 . . . . 1.12 110.244 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -67.45 -25.96 66.16 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.406 -0.918 . . . . 2.28 110.186 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -82.61 -44.69 15.49 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.415 -0.914 . . . . 2.91 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.41 -23.07 63.65 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.352 -0.939 . . . . 0.42 110.005 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -82.87 -41.92 18.4 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.439 -0.904 . . . . 1.85 110.089 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' OXT' ' A' ' 72' ' ' SER . 8.2 t-20 -69.95 -26.95 64.37 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.459 -0.896 . . . . 1.42 110.218 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.421 ' OXT' ' O ' ' A' ' 71' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 116.332 -1.794 . . . . 1.43 110.173 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.439 -0.578 . . . . 6.12 109.439 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LYS . . . . . 0.58 ' N ' ' CD ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -130.81 -66.54 0.75 Allowed 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.935 -0.706 . . . . 7.41 110.111 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -143.85 125.3 14.79 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.487 -0.885 . . . . 4.41 110.199 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -132.16 131.24 42.06 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.891 -0.724 . . . . 5.1 109.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.37 154.3 17.54 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.337 -0.945 . . . . 3.67 110.5 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.0 m -62.15 156.75 20.88 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.556 -0.858 . . . . 0.57 109.858 179.544 -80.047 -92.43 88.979 104.096 2.018 104.107 55.187 -150.444 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -63.54 -27.93 69.6 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 118.936 -1.106 . . . . 1.49 109.476 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' B' ' 40' ' ' ILE . 60.8 m -121.71 111.09 16.74 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 120.012 -0.675 . . . . 0.78 110.307 179.883 -73.937 -74.786 -78.004 104.125 2.019 104.134 -109.098 -72.595 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 10' ' ' ILE . 16.9 mt -92.2 -33.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 C-N-CA 119.372 -0.931 . . . . 1.23 109.891 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -119.67 174.31 6.49 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 120.05 -0.66 . . . . 3.1 109.827 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -136.59 179.13 6.55 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 119.569 -0.853 . . . . 0.4 110.349 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.23 119.98 39.55 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 119.754 -0.778 . . . . 0.54 110.209 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.2 p -98.99 37.73 1.49 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.605 -0.838 . . . . 0.4 110.475 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -143.27 102.92 5.11 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 119.73 -0.788 . . . . 2.64 109.593 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -58.93 142.5 99.27 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.852 1.035 . . . . 0.44 111.528 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' PHE . . . . . 0.699 ' CE1' HD11 ' B' ' 22' ' ' ILE . 39.6 p90 -138.61 -167.42 2.19 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.752 -0.779 . . . . 0.75 110.414 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' B' ' 20' ' ' LYS . 66.1 t-80 -115.65 141.64 27.71 Favored Pre-proline 0 N--CA 1.5 2.05 0 CA-C-N 115.559 -0.746 . . . . 0.39 110.022 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' B' ' 18' ' ' HIS . 5.9 Cg_exo -55.82 -12.14 6.35 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 120.837 1.025 . . . . 0.32 111.23 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' ND1' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -52.19 -30.84 28.93 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 119.509 -0.876 . . . . 1.45 109.888 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.8 -11.3 39.84 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 119.817 -0.753 . . . . 0.55 110.623 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.699 HD11 ' CE1' ' B' ' 17' ' ' PHE . 0.3 OUTLIER -92.19 128.6 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 119.654 -0.818 . . . . 1.12 110.526 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -120.53 -25.88 5.47 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.273 -0.876 . . . . 1.58 109.688 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -136.16 133.91 37.68 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 119.431 -0.907 . . . . 1.47 110.528 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -109.15 149.13 29.81 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.96 -0.696 . . . . 0.39 110.09 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' B' ' 40' ' ' ILE . 10.3 mtp180 -143.97 123.21 12.99 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.389 -0.924 . . . . 1.95 110.239 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.01 123.06 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 C-N-CA 119.93 -0.708 . . . . 0.36 110.084 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.25 118.59 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 119.916 -0.714 . . . . 0.44 110.21 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' B' ' 30' ' ' SER . 59.7 tt0 -78.32 164.99 24.37 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.64 -0.824 . . . . 1.55 110.233 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 36' ' ' ASN . 6.8 p -40.93 123.62 1.99 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.859 -0.737 . . . . 0.44 110.437 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 34' ' ' CYS . . . -122.84 -172.75 13.99 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.046 -1.221 . . . . 0.42 110.046 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.02 -0.44 3.3 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.708 1.605 . . . . 0.55 110.064 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' HIS . . . . . 0.453 ' H ' ' C ' ' B' ' 31' ' ' GLY . 8.3 p-80 -120.19 -20.43 7.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.17 -0.923 . . . . 0.5 109.745 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' B' ' 31' ' ' GLY . 1.8 t -136.89 131.57 33.32 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 119.787 -0.765 . . . . 0.45 110.18 -179.731 -150.444 55.187 88.979 104.107 2.018 104.096 -92.43 -80.047 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' B' ' 36' ' ' ASN . . . -97.66 24.4 6.8 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.573 -0.851 . . . . 0.53 110.41 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' SER . 51.9 m-20 -140.28 -149.44 0.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.468 -0.893 . . . . 1.18 110.47 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.32 140.21 50.66 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.258 -0.883 . . . . 0.46 109.916 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -137.13 129.81 30.25 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.647 -0.821 . . . . 2.59 110.178 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.26 102.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 119.553 -0.859 . . . . 0.62 110.352 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.515 HG22 ' N ' ' B' ' 41' ' ' VAL . 15.7 mt -89.87 161.55 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 119.436 -0.906 . . . . 0.76 109.924 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.515 ' N ' HG22 ' B' ' 40' ' ' ILE . 8.2 p -149.23 160.51 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 119.204 -0.998 . . . . 0.38 110.471 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.498 ' N ' HG22 ' B' ' 41' ' ' VAL . 1.2 mttt -129.38 130.27 45.82 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 119.743 -0.783 . . . . 1.68 110.554 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.618 HD12 ' N ' ' B' ' 43' ' ' LEU . 9.1 mp -92.57 145.24 24.59 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.883 -0.727 . . . . 0.5 110.518 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.427 ' C ' ' H ' ' B' ' 46' ' ' GLY . 1.0 OUTLIER -48.84 -33.47 10.62 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.543 -0.753 . . . . 0.55 111.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -6.24 0.86 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.143 -1.023 . . . . 1.19 110.364 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' B' ' 44' ' ' SER . . . 89.07 28.47 20.53 Favored Glycine 0 N--CA 1.489 2.196 0 C-N-CA 119.402 -1.38 . . . . 0.58 110.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -113.3 164.13 13.95 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 119.69 -0.804 . . . . 2.46 110.339 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' B' ' 48' ' ' GLU . 7.3 pt-20 -137.33 128.15 27.22 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.651 -0.819 . . . . 2.19 110.172 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.46 -176.37 3.8 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.873 -0.731 . . . . 0.75 110.062 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 66.4 m -132.19 132.74 43.44 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.86 -0.736 . . . . 0.54 110.184 -179.834 -72.595 -109.098 -78.004 104.134 2.019 104.125 -74.786 -73.937 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 19.2 mt -106.57 156.86 18.14 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.753 -0.779 . . . . 0.44 110.349 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' B' ' 54' ' ' LYS . 10.8 t0 -106.71 109.77 63.32 Favored Pre-proline 0 N--CA 1.492 1.659 0 C-N-CA 119.85 -0.74 . . . . 1.05 109.645 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.35 -2.52 1.38 Allowed 'Trans proline' 0 C--O 1.214 -0.68 0 C-N-CA 120.453 0.769 . . . . 0.62 110.323 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' B' ' 52' ' ' ASP . 16.5 tttp -77.28 -11.61 59.85 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.619 -0.833 . . . . 2.75 110.366 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -101.45 138.51 38.37 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 119.42 -0.912 . . . . 1.65 110.147 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.16 -40.19 90.36 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.459 -0.897 . . . . 1.84 111.135 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -62.76 -21.41 65.81 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.592 -1.243 . . . . 0.41 110.544 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -75.58 -39.74 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 118.703 -1.199 . . . . 0.34 109.44 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.04 -19.76 64.92 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 119.329 -0.948 . . . . 2.02 109.593 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.53 -59.42 2.25 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.575 -0.85 . . . . 2.85 111.297 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 17.5 m -57.35 -32.64 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 118.767 -1.173 . . . . 0.37 109.491 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.84 -40.34 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.116 -1.034 . . . . 0.32 109.286 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.23 -41.1 92.42 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.315 -0.954 . . . . 1.89 109.785 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -62.22 -41.56 98.5 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.099 -1.041 . . . . 1.87 109.983 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -55.1 -44.59 75.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 118.924 -1.111 . . . . 0.25 110.099 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.16 -44.08 85.11 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.401 -0.92 . . . . 1.12 110.252 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -67.47 -25.92 66.12 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.372 -0.931 . . . . 2.37 110.183 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -82.63 -44.75 15.39 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.461 -0.895 . . . . 2.88 110.324 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.16 63.73 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 119.408 -0.917 . . . . 0.42 109.997 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -82.89 -41.86 18.43 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.47 -0.892 . . . . 1.91 110.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASN . . . . . 0.404 ' O ' ' OXT' ' B' ' 72' ' ' SER . 8.2 t-20 -69.96 -26.93 64.35 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.499 -0.88 . . . . 1.45 110.184 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' SER . . . . . 0.404 ' OXT' ' O ' ' B' ' 71' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 116.326 -1.797 . . . . 1.43 110.196 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.495 -0.558 . . . . 6.12 109.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.582 ' CD ' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -130.83 -66.47 0.75 Allowed 'General case' 0 N--CA 1.497 1.876 0 C-N-CA 119.865 -0.734 . . . . 7.41 110.08 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -143.79 125.26 14.81 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 119.554 -0.858 . . . . 4.41 110.269 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -132.19 131.31 42.07 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.852 -0.739 . . . . 5.1 109.83 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.32 154.34 17.49 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.356 -0.938 . . . . 3.67 110.552 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.9 m -62.15 156.73 20.93 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 119.556 -0.857 . . . . 0.57 109.825 179.512 -80.058 -92.372 89.029 104.086 2.02 104.07 55.14 -150.473 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -63.77 -27.24 69.06 Favored 'General case' 0 N--CA 1.492 1.67 0 C-N-CA 118.767 -1.173 . . . . 1.49 109.672 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 60.3 m -122.22 111.13 16.58 Favored 'General case' 0 N--CA 1.496 1.836 0 C-N-CA 119.987 -0.685 . . . . 0.78 110.296 179.712 -74.045 -74.724 -78.052 104.176 2.018 104.115 -109.087 -72.606 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -92.29 -33.8 5.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 C-N-CA 119.39 -0.924 . . . . 1.24 109.84 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -119.67 174.24 6.53 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 120.035 -0.666 . . . . 3.1 109.799 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.7 p -136.53 179.07 6.59 Favored 'General case' 0 N--CA 1.499 1.989 0 C-N-CA 119.491 -0.884 . . . . 0.39 110.367 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.09 119.99 39.56 Favored 'General case' 0 N--CA 1.496 1.847 0 C-N-CA 119.862 -0.735 . . . . 0.54 110.267 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 83.1 p -99.09 37.77 1.49 Allowed 'General case' 0 N--CA 1.495 1.822 0 C-N-CA 119.582 -0.847 . . . . 0.41 110.396 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -143.26 103.02 5.11 Favored Pre-proline 0 N--CA 1.493 1.719 0 C-N-CA 119.653 -0.819 . . . . 2.64 109.544 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -58.98 142.5 99.41 Favored 'Trans proline' 0 C--O 1.215 -0.67 0 C-N-CA 120.827 1.018 . . . . 0.45 111.53 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.712 ' CE1' HD11 ' A' ' 22' ' ' ILE . 39.6 p90 -138.52 -167.39 2.18 Favored 'General case' 0 N--CA 1.493 1.7 0 C-N-CA 119.696 -0.801 . . . . 0.75 110.429 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.41 ' CG ' ' HD2' ' A' ' 19' ' ' PRO . 66.1 t-80 -115.68 141.61 27.68 Favored Pre-proline 0 N--CA 1.499 2.01 0 CA-C-N 115.596 -0.729 . . . . 0.4 110.057 -179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' CG ' ' A' ' 18' ' ' HIS . 5.9 Cg_exo -55.83 -12.2 6.49 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 120.776 0.984 . . . . 0.32 111.166 179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HB2' ' ND1' ' A' ' 18' ' ' HIS . 0.3 OUTLIER -52.11 -30.81 27.98 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 119.402 -0.919 . . . . 1.45 109.896 179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -90.8 -11.36 39.68 Favored 'General case' 0 N--CA 1.494 1.763 0 C-N-CA 119.928 -0.709 . . . . 0.55 110.553 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.712 HD11 ' CE1' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -92.15 128.59 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 C-N-CA 119.68 -0.808 . . . . 1.12 110.527 -179.178 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -120.51 -25.95 5.46 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 115.249 -0.887 . . . . 1.58 109.599 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -136.15 133.94 37.72 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 119.403 -0.919 . . . . 1.47 110.533 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -109.11 149.09 29.84 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 120.026 -0.669 . . . . 0.39 110.076 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 40' ' ' ILE . 10.3 mtp180 -143.9 123.18 13.02 Favored 'General case' 0 N--CA 1.495 1.78 0 C-N-CA 119.397 -0.921 . . . . 1.95 110.26 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.95 123.04 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 C-N-CA 119.904 -0.718 . . . . 0.36 110.041 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 86.3 mt -117.21 118.61 59.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 C-N-CA 119.931 -0.708 . . . . 0.44 110.202 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.491 ' CG ' ' N ' ' A' ' 30' ' ' SER . 59.5 tt0 -78.3 164.98 24.4 Favored 'General case' 0 N--CA 1.493 1.693 0 C-N-CA 119.653 -0.819 . . . . 1.55 110.273 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 36' ' ' ASN . 6.8 p -40.88 123.62 1.97 Allowed 'General case' 0 N--CA 1.496 1.85 0 C-N-CA 119.937 -0.705 . . . . 0.45 110.418 179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -122.86 -172.79 13.99 Favored Glycine 0 N--CA 1.495 2.618 0 N-CA-C 110.017 -1.233 . . . . 0.42 110.017 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -64.99 -0.51 3.33 Favored 'Trans proline' 0 C--N 1.316 -1.141 0 C-N-CA 121.749 1.633 . . . . 0.55 110.009 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' H ' ' C ' ' A' ' 31' ' ' GLY . 8.4 p-80 -120.12 -20.55 7.36 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 115.197 -0.91 . . . . 0.51 109.75 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' GLY . 1.8 t -136.82 131.71 33.65 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 119.737 -0.785 . . . . 0.45 110.134 -179.714 -150.473 55.14 89.029 104.07 2.02 104.086 -92.372 -80.058 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 36' ' ' ASN . . . -97.77 24.38 6.89 Favored 'General case' 0 N--CA 1.492 1.644 0 C-N-CA 119.58 -0.848 . . . . 0.53 110.289 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.514 ' O ' ' N ' ' A' ' 30' ' ' SER . 51.3 m-20 -140.28 -149.48 0.28 Allowed 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 119.551 -0.86 . . . . 1.19 110.534 -179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.32 140.29 50.65 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-N 115.345 -0.843 . . . . 0.46 109.887 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -137.24 129.78 29.98 Favored 'General case' 0 N--CA 1.496 1.839 0 C-N-CA 119.707 -0.797 . . . . 2.55 110.196 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.8 mt -99.24 102.49 13.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 C-N-CA 119.542 -0.863 . . . . 0.62 110.324 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 41' ' ' VAL . 15.7 mt -89.88 161.52 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.728 0 C-N-CA 119.402 -0.919 . . . . 0.76 109.926 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.523 ' N ' HG22 ' A' ' 40' ' ' ILE . 8.1 p -149.18 160.51 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 C-N-CA 119.24 -0.984 . . . . 0.37 110.53 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' N ' HG22 ' A' ' 41' ' ' VAL . 1.2 mttt -129.32 130.24 45.86 Favored 'General case' 0 N--CA 1.5 2.061 0 C-N-CA 119.838 -0.745 . . . . 1.67 110.493 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 43' ' ' LEU . 9.1 mp -92.57 145.18 24.64 Favored 'General case' 0 N--CA 1.494 1.768 0 C-N-CA 119.866 -0.734 . . . . 0.51 110.495 -179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 46' ' ' GLY . 1.0 OUTLIER -48.8 -33.48 10.5 Favored 'General case' 0 N--CA 1.498 1.938 0 CA-C-N 115.564 -0.744 . . . . 0.55 111.38 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.09 -6.3 0.83 Allowed 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 119.149 -1.021 . . . . 1.19 110.32 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 44' ' ' SER . . . 89.17 28.41 20.44 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.438 -1.363 . . . . 0.56 110.193 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -113.23 164.15 13.89 Favored 'General case' 0 N--CA 1.501 2.09 0 C-N-CA 119.65 -0.82 . . . . 2.5 110.433 -179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 48' ' ' GLU . 7.3 pt-20 -137.29 128.15 27.3 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.721 -0.792 . . . . 2.19 110.192 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.49 -176.37 3.8 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 119.95 -0.7 . . . . 0.75 110.077 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 66.4 m -132.22 132.79 43.44 Favored 'General case' 0 N--CA 1.495 1.799 0 C-N-CA 119.792 -0.763 . . . . 0.53 110.152 -179.827 -72.606 -109.087 -78.052 104.115 2.018 104.176 -74.724 -74.045 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.2 mt -106.67 156.9 18.14 Favored 'General case' 0 N--CA 1.494 1.751 0 C-N-CA 119.753 -0.779 . . . . 0.44 110.346 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 54' ' ' LYS . 10.8 t0 -106.7 109.71 63.28 Favored Pre-proline 0 N--CA 1.492 1.644 0 C-N-CA 119.792 -0.763 . . . . 1.03 109.684 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.25 -2.53 1.33 Allowed 'Trans proline' 0 C--O 1.216 -0.616 0 C-N-CA 120.455 0.77 . . . . 0.63 110.395 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' H ' ' C ' ' A' ' 52' ' ' ASP . 16.5 tttp -77.32 -11.61 59.85 Favored 'General case' 0 C--N 1.305 -1.341 0 C-N-CA 119.701 -0.8 . . . . 2.78 110.323 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -101.42 138.45 38.4 Favored 'General case' 0 N--CA 1.497 1.889 0 C-N-CA 119.393 -0.923 . . . . 1.65 110.2 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -66.16 -40.12 90.3 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 119.438 -0.905 . . . . 1.95 111.199 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 -62.8 -21.35 65.83 Favored 'General case' 0 N--CA 1.494 1.745 0 C-N-CA 118.502 -1.279 . . . . 0.41 110.514 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -75.63 -39.73 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 C-N-CA 118.667 -1.213 . . . . 0.34 109.387 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -68.06 -19.72 64.9 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.332 -0.947 . . . . 2.03 109.629 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.57 -59.42 2.25 Favored 'General case' 0 N--CA 1.492 1.656 0 C-N-CA 119.53 -0.868 . . . . 2.82 111.277 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.6 m -57.36 -32.59 41.57 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 118.775 -1.17 . . . . 0.36 109.426 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 79.3 t -74.84 -40.41 46.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 C-N-CA 119.207 -0.997 . . . . 0.31 109.307 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.21 -41.07 92.25 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 119.292 -0.963 . . . . 1.92 109.794 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -62.3 -41.6 98.65 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 119.115 -1.034 . . . . 1.84 109.949 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -55.1 -44.55 75.01 Favored 'General case' 0 N--CA 1.491 1.622 0 C-N-CA 118.858 -1.137 . . . . 0.25 110.119 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.1 -44.15 85.18 Favored 'General case' 0 N--CA 1.493 1.675 0 C-N-CA 119.413 -0.915 . . . . 1.12 110.244 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.0 tttt -67.45 -25.96 66.16 Favored 'General case' 0 N--CA 1.492 1.645 0 C-N-CA 119.406 -0.918 . . . . 2.28 110.186 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -82.61 -44.69 15.49 Favored 'General case' 0 N--CA 1.492 1.672 0 C-N-CA 119.415 -0.914 . . . . 2.91 110.325 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.41 -23.07 63.65 Favored 'General case' 0 N--CA 1.493 1.716 0 C-N-CA 119.352 -0.939 . . . . 0.42 110.005 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -82.87 -41.92 18.4 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 119.439 -0.904 . . . . 1.85 110.089 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' O ' ' OXT' ' A' ' 72' ' ' SER . 8.2 t-20 -69.95 -26.95 64.37 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 119.459 -0.896 . . . . 1.42 110.218 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.421 ' OXT' ' O ' ' A' ' 71' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 116.332 -1.794 . . . . 1.43 110.173 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.439 -0.578 . . . . 6.12 109.439 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.58 ' N ' ' CD ' ' B' ' 3' ' ' LYS . 0.0 OUTLIER -130.81 -66.54 0.75 Allowed 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 119.935 -0.706 . . . . 7.41 110.111 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -143.85 125.3 14.79 Favored 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 119.487 -0.885 . . . . 4.41 110.199 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.2 mt -132.16 131.24 42.06 Favored 'General case' 0 N--CA 1.498 1.955 0 C-N-CA 119.891 -0.724 . . . . 5.1 109.883 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.8 mmt85 -97.37 154.3 17.54 Favored 'General case' 0 N--CA 1.494 1.73 0 C-N-CA 119.337 -0.945 . . . . 3.67 110.5 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 22.0 m -62.15 156.75 20.88 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 119.556 -0.858 . . . . 0.57 109.858 179.544 -80.047 -92.43 88.979 104.096 2.018 104.107 55.187 -150.444 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -63.54 -27.93 69.6 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 118.936 -1.106 . . . . 1.49 109.476 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.4 ' SG ' ' CG1' ' B' ' 40' ' ' ILE . 60.8 m -121.71 111.09 16.74 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 120.012 -0.675 . . . . 0.78 110.307 179.883 -73.937 -74.786 -78.004 104.125 2.019 104.134 -109.098 -72.595 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . 0.408 HG21 HD13 ' B' ' 10' ' ' ILE . 16.9 mt -92.2 -33.82 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 C-N-CA 119.372 -0.931 . . . . 1.23 109.891 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -119.67 174.31 6.49 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 120.05 -0.66 . . . . 3.1 109.827 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.6 p -136.59 179.13 6.55 Favored 'General case' 0 N--CA 1.497 1.909 0 C-N-CA 119.569 -0.853 . . . . 0.4 110.349 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -101.23 119.98 39.55 Favored 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 119.754 -0.778 . . . . 0.54 110.209 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 83.2 p -98.99 37.73 1.49 Allowed 'General case' 0 N--CA 1.496 1.848 0 C-N-CA 119.605 -0.838 . . . . 0.4 110.475 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -143.27 102.92 5.11 Favored Pre-proline 0 N--CA 1.493 1.706 0 C-N-CA 119.73 -0.788 . . . . 2.64 109.593 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -58.93 142.5 99.27 Favored 'Trans proline' 0 C--O 1.215 -0.633 0 C-N-CA 120.852 1.035 . . . . 0.44 111.528 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' PHE . . . . . 0.699 ' CE1' HD11 ' B' ' 22' ' ' ILE . 39.6 p90 -138.61 -167.42 2.19 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 119.752 -0.779 . . . . 0.75 110.414 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' B' ' 20' ' ' LYS . 66.1 t-80 -115.65 141.64 27.71 Favored Pre-proline 0 N--CA 1.5 2.05 0 CA-C-N 115.559 -0.746 . . . . 0.39 110.022 -179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' B' ' 18' ' ' HIS . 5.9 Cg_exo -55.82 -12.14 6.35 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 120.837 1.025 . . . . 0.32 111.23 179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.414 ' HB2' ' ND1' ' B' ' 18' ' ' HIS . 0.3 OUTLIER -52.19 -30.84 28.93 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 119.509 -0.876 . . . . 1.45 109.888 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -90.8 -11.3 39.84 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 119.817 -0.753 . . . . 0.55 110.623 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.699 HD11 ' CE1' ' B' ' 17' ' ' PHE . 0.3 OUTLIER -92.19 128.6 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 C-N-CA 119.654 -0.818 . . . . 1.12 110.526 -179.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 9.5 mmtt -120.53 -25.88 5.47 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 115.273 -0.876 . . . . 1.58 109.688 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -136.16 133.91 37.68 Favored 'General case' 0 N--CA 1.499 2.015 0 C-N-CA 119.431 -0.907 . . . . 1.47 110.528 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tp -109.15 149.13 29.81 Favored 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 119.96 -0.696 . . . . 0.39 110.09 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' B' ' 40' ' ' ILE . 10.3 mtp180 -143.97 123.21 12.99 Favored 'General case' 0 N--CA 1.493 1.698 0 C-N-CA 119.389 -0.924 . . . . 1.95 110.239 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.01 123.06 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 C-N-CA 119.93 -0.708 . . . . 0.36 110.084 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ILE . . . . . . . . . . . . . 86.6 mt -117.25 118.59 59.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 C-N-CA 119.916 -0.714 . . . . 0.44 110.21 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.494 ' CG ' ' N ' ' B' ' 30' ' ' SER . 59.7 tt0 -78.32 164.99 24.37 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 119.64 -0.824 . . . . 1.55 110.233 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.525 ' N ' ' O ' ' B' ' 36' ' ' ASN . 6.8 p -40.93 123.62 1.99 Allowed 'General case' 0 N--CA 1.496 1.874 0 C-N-CA 119.859 -0.737 . . . . 0.44 110.437 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' B' ' 34' ' ' CYS . . . -122.84 -172.75 13.99 Favored Glycine 0 N--CA 1.496 2.65 0 N-CA-C 110.046 -1.221 . . . . 0.42 110.046 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -65.02 -0.44 3.3 Favored 'Trans proline' 0 C--N 1.316 -1.166 0 C-N-CA 121.708 1.605 . . . . 0.55 110.064 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' HIS . . . . . 0.453 ' H ' ' C ' ' B' ' 31' ' ' GLY . 8.3 p-80 -120.19 -20.43 7.36 Favored 'General case' 0 N--CA 1.493 1.717 0 CA-C-N 115.17 -0.923 . . . . 0.5 109.745 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' B' ' 31' ' ' GLY . 1.8 t -136.89 131.57 33.32 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 119.787 -0.765 . . . . 0.45 110.18 -179.731 -150.444 55.187 88.979 104.107 2.018 104.096 -92.43 -80.047 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' B' ' 36' ' ' ASN . . . -97.66 24.4 6.8 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.573 -0.851 . . . . 0.53 110.41 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . 0.525 ' O ' ' N ' ' B' ' 30' ' ' SER . 51.9 m-20 -140.28 -149.44 0.28 Allowed 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 119.468 -0.893 . . . . 1.18 110.47 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.32 140.21 50.66 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 115.258 -0.883 . . . . 0.46 109.916 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -137.13 129.81 30.25 Favored 'General case' 0 N--CA 1.495 1.817 0 C-N-CA 119.647 -0.821 . . . . 2.59 110.178 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 57.9 mt -99.26 102.48 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 C-N-CA 119.553 -0.859 . . . . 0.62 110.352 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.515 HG22 ' N ' ' B' ' 41' ' ' VAL . 15.7 mt -89.87 161.55 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 C-N-CA 119.436 -0.906 . . . . 0.76 109.924 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.515 ' N ' HG22 ' B' ' 40' ' ' ILE . 8.2 p -149.23 160.51 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 C-N-CA 119.204 -0.998 . . . . 0.38 110.471 -179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.498 ' N ' HG22 ' B' ' 41' ' ' VAL . 1.2 mttt -129.38 130.27 45.82 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 119.743 -0.783 . . . . 1.68 110.554 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.618 HD12 ' N ' ' B' ' 43' ' ' LEU . 9.1 mp -92.57 145.24 24.59 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 119.883 -0.727 . . . . 0.5 110.518 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.427 ' C ' ' H ' ' B' ' 46' ' ' GLY . 1.0 OUTLIER -48.84 -33.47 10.62 Favored 'General case' 0 N--CA 1.5 2.047 0 CA-C-N 115.543 -0.753 . . . . 0.55 111.291 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -6.24 0.86 Allowed 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.143 -1.023 . . . . 1.19 110.364 -179.167 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' B' ' 44' ' ' SER . . . 89.07 28.47 20.53 Favored Glycine 0 N--CA 1.489 2.196 0 C-N-CA 119.402 -1.38 . . . . 0.58 110.279 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -113.3 164.13 13.95 Favored 'General case' 0 N--CA 1.499 2.021 0 C-N-CA 119.69 -0.804 . . . . 2.46 110.339 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' B' ' 48' ' ' GLU . 7.3 pt-20 -137.33 128.15 27.22 Favored 'General case' 0 N--CA 1.494 1.741 0 C-N-CA 119.651 -0.819 . . . . 2.19 110.172 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 1.1 mp -128.46 -176.37 3.8 Favored 'General case' 0 N--CA 1.497 1.896 0 C-N-CA 119.873 -0.731 . . . . 0.75 110.062 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 66.4 m -132.19 132.74 43.44 Favored 'General case' 0 N--CA 1.494 1.762 0 C-N-CA 119.86 -0.736 . . . . 0.54 110.184 -179.834 -72.595 -109.098 -78.004 104.134 2.019 104.125 -74.786 -73.937 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 19.2 mt -106.57 156.86 18.14 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 119.753 -0.779 . . . . 0.44 110.349 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' B' ' 54' ' ' LYS . 10.8 t0 -106.71 109.77 63.32 Favored Pre-proline 0 N--CA 1.492 1.659 0 C-N-CA 119.85 -0.74 . . . . 1.05 109.645 179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -59.35 -2.52 1.38 Allowed 'Trans proline' 0 C--O 1.214 -0.68 0 C-N-CA 120.453 0.769 . . . . 0.62 110.323 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.487 ' H ' ' C ' ' B' ' 52' ' ' ASP . 16.5 tttp -77.28 -11.61 59.85 Favored 'General case' 0 C--N 1.304 -1.375 0 C-N-CA 119.619 -0.833 . . . . 2.75 110.366 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -101.45 138.51 38.37 Favored 'General case' 0 N--CA 1.497 1.924 0 C-N-CA 119.42 -0.912 . . . . 1.65 110.147 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.16 -40.19 90.36 Favored 'General case' 0 N--CA 1.492 1.659 0 C-N-CA 119.459 -0.897 . . . . 1.84 111.135 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -62.76 -21.41 65.81 Favored 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 118.592 -1.243 . . . . 0.41 110.544 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 t -75.58 -39.74 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 C-N-CA 118.703 -1.199 . . . . 0.34 109.44 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -68.04 -19.76 64.92 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 119.329 -0.948 . . . . 2.02 109.593 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.53 -59.42 2.25 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 119.575 -0.85 . . . . 2.85 111.297 -179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . . . . . . . . . 17.5 m -57.35 -32.64 41.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 118.767 -1.173 . . . . 0.37 109.491 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' VAL . . . . . . . . . . . . . 79.7 t -74.84 -40.34 46.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.475 0 C-N-CA 119.116 -1.034 . . . . 0.32 109.286 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -60.23 -41.1 92.42 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 119.315 -0.954 . . . . 1.89 109.785 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -62.22 -41.56 98.5 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 119.099 -1.041 . . . . 1.87 109.983 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -55.1 -44.59 75.07 Favored 'General case' 0 N--CA 1.491 1.602 0 C-N-CA 118.924 -1.111 . . . . 0.25 110.099 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 5.7 mt -66.16 -44.08 85.11 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.401 -0.92 . . . . 1.12 110.252 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -67.47 -25.92 66.12 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.372 -0.931 . . . . 2.37 110.183 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . . . . . . . . . 8.6 ttt180 -82.63 -44.75 15.39 Favored 'General case' 0 N--CA 1.492 1.667 0 C-N-CA 119.461 -0.895 . . . . 2.88 110.324 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -69.34 -23.16 63.73 Favored 'General case' 0 N--CA 1.492 1.666 0 C-N-CA 119.408 -0.917 . . . . 0.42 109.997 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -82.89 -41.86 18.43 Favored 'General case' 0 N--CA 1.491 1.611 0 C-N-CA 119.47 -0.892 . . . . 1.91 110.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASN . . . . . 0.404 ' O ' ' OXT' ' B' ' 72' ' ' SER . 8.2 t-20 -69.96 -26.93 64.35 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 119.499 -0.88 . . . . 1.45 110.184 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' SER . . . . . 0.404 ' OXT' ' O ' ' B' ' 71' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 116.326 -1.797 . . . . 1.43 110.196 179.969 . . . . . . . . 2 2 . 1 stop_ save_