data_1lea_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 1lea _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 ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.71 98.79 3.64 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.888 0.851 . . . . 0.0 109.786 175.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.11 133.77 35.04 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -171.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -103.52 131.51 50.57 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 121.108 0.48 . . . . 0.0 112.079 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -68.24 155.72 39.1 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.03 -49.06 52.2 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 119.115 3.005 . . . . 0.0 119.115 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -75.03 -34.85 61.93 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.24 -39.63 92.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 164.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -57.4 -37.63 73.02 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 164.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.01 -45.78 82.81 Favored 'General case' 0 CA--C 1.581 2.164 0 CA-C-N 120.974 1.715 . . . . 0.0 115.557 163.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.55 -49.62 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -56.7 -46.59 81.11 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.41 -41.21 84.42 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 tp -62.41 -37.64 86.6 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-N 121.088 1.767 . . . . 0.0 115.732 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.0 mt -58.85 -51.61 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 167.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -60.7 -44.16 96.9 Favored 'General case' 0 CA--C 1.579 2.072 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 171.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.35 -45.15 94.51 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -67.52 -36.89 81.9 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.99 -47.11 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-N 119.53 1.059 . . . . 0.0 113.054 166.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -62.65 -29.45 70.64 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -85.07 -46.38 11.21 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.4 p -108.26 -18.88 13.65 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.16 -45.79 2.06 Favored Glycine 0 CA--C 1.547 2.071 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 -162.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 ptp -94.93 155.47 39.1 Favored Pre-proline 0 CA--C 1.571 1.78 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.97 160.76 39.86 Favored 'Trans proline' 0 CA--C 1.564 2.014 0 C-N-CA 122.363 2.042 . . . . 0.0 116.205 173.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -83.22 163.35 15.19 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 122.251 1.967 . . . . 0.0 115.4 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.7 p -74.23 156.8 36.85 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -30.59 67.87 Favored 'General case' 0 CA--C 1.585 2.299 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 167.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.98 86.55 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 163.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -55.72 -43.77 76.84 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 167.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.74 -47.95 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.85 91.12 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 170.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -77.14 -48.51 17.49 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -72.14 -40.59 67.96 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.49 -16.53 58.67 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.09 68.15 1.29 Allowed Glycine 0 N--CA 1.481 1.696 0 N-CA-C 115.73 1.052 . . . . 0.0 115.73 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -112.47 124.34 52.3 Favored 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 123.424 0.689 . . . . 0.0 110.21 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -37.19 86.21 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.2 m -113.29 117.21 45.76 Favored Pre-proline 0 CA--C 1.567 1.612 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.604 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.69 -25.87 27.88 Favored 'Trans proline' 0 N--CA 1.509 2.387 0 N-CA-C 119.958 3.022 . . . . 0.0 119.958 171.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.57 -30.53 68.71 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 165.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.51 91.74 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.02 -46.63 82.21 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 165.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.55 -43.85 84.74 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 166.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.21 -43.93 97.73 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -62.88 -39.89 95.84 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.31 -47.32 81.82 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -55.28 -48.02 74.67 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 167.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.19 67.08 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 117.793 2.516 . . . . 0.0 117.793 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.0 -49.27 78.13 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.22 99.3 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 170.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.71 -38.82 91.95 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.19 -38.76 82.34 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 166.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.42 38.36 0.68 Allowed Glycine 0 N--CA 1.487 2.095 0 N-CA-C 117.843 1.897 . . . . 0.0 117.843 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -112.36 -18.81 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.235 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.6 pt -142.43 152.41 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.051 0 C-N-CA 124.24 1.016 . . . . 0.0 111.401 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -101.66 121.77 42.65 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.494 -0.754 . . . . 0.0 110.188 161.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.27 106.21 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.2 t -79.48 92.83 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.1 m -80.78 101.43 9.34 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.829 0.823 . . . . 0.0 112.477 -163.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.85 -53.25 0.69 Allowed Glycine 0 N--CA 1.486 1.994 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.994 -161.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.02 123.38 26.76 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -60.33 -52.19 66.32 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -91.55 82.66 5.32 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-O 121.744 0.783 . . . . 0.0 109.219 162.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.71 72.18 0.34 Allowed Glycine 0 N--CA 1.484 1.854 0 N-CA-C 114.987 0.755 . . . . 0.0 114.987 -170.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.3 mt -136.05 102.64 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.72 128.92 34.92 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.23 -0.918 . . . . 0.0 112.175 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 tp -80.36 120.79 24.87 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.779 0.832 . . . . 0.0 112.266 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.58 -51.82 2.82 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.43 162.31 41.37 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 121.599 0.714 . . . . 0.0 111.966 -165.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -145.24 -97.29 0.1 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.087 -1.008 . . . . 0.0 108.728 161.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 178.026 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.71 98.79 3.64 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.888 0.851 . . . . 0.0 109.786 175.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.11 133.77 35.04 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -171.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -103.52 131.51 50.57 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 121.108 0.48 . . . . 0.0 112.079 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -68.24 155.72 39.1 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.03 -49.06 52.2 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 119.115 3.005 . . . . 0.0 119.115 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -75.03 -34.85 61.93 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.24 -39.63 92.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 164.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -57.4 -37.63 73.02 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 164.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.01 -45.78 82.81 Favored 'General case' 0 CA--C 1.581 2.164 0 CA-C-N 120.974 1.715 . . . . 0.0 115.557 163.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.55 -49.62 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -56.7 -46.59 81.11 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.41 -41.21 84.42 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 tp -62.41 -37.64 86.6 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-N 121.088 1.767 . . . . 0.0 115.732 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.0 mt -58.85 -51.61 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 167.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -60.7 -44.16 96.9 Favored 'General case' 0 CA--C 1.579 2.072 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 171.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.35 -45.15 94.51 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -67.52 -36.89 81.9 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.99 -47.11 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-N 119.53 1.059 . . . . 0.0 113.054 166.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -62.65 -29.45 70.64 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -85.07 -46.38 11.21 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.4 p -108.26 -18.88 13.65 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.16 -45.79 2.06 Favored Glycine 0 CA--C 1.547 2.071 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 -162.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 ptp -94.93 155.47 39.1 Favored Pre-proline 0 CA--C 1.571 1.78 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.97 160.76 39.86 Favored 'Trans proline' 0 CA--C 1.564 2.014 0 C-N-CA 122.363 2.042 . . . . 0.0 116.205 173.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -83.22 163.35 15.19 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 122.251 1.967 . . . . 0.0 115.4 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.7 p -74.23 156.8 36.85 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -30.59 67.87 Favored 'General case' 0 CA--C 1.585 2.299 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 167.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.98 86.55 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 163.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -55.72 -43.77 76.84 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 167.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.74 -47.95 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.85 91.12 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 170.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -77.14 -48.51 17.49 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -72.14 -40.59 67.96 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.49 -16.53 58.67 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.09 68.15 1.29 Allowed Glycine 0 N--CA 1.481 1.696 0 N-CA-C 115.73 1.052 . . . . 0.0 115.73 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -112.47 124.34 52.3 Favored 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 123.424 0.689 . . . . 0.0 110.21 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -37.19 86.21 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.2 m -113.29 117.21 45.76 Favored Pre-proline 0 CA--C 1.567 1.612 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.604 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.69 -25.87 27.88 Favored 'Trans proline' 0 N--CA 1.509 2.387 0 N-CA-C 119.958 3.022 . . . . 0.0 119.958 171.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.57 -30.53 68.71 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 165.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.51 91.74 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.02 -46.63 82.21 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 165.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.55 -43.85 84.74 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 166.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.21 -43.93 97.73 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -62.88 -39.89 95.84 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.31 -47.32 81.82 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -55.28 -48.02 74.67 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 167.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.19 67.08 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 117.793 2.516 . . . . 0.0 117.793 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.0 -49.27 78.13 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.22 99.3 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 170.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.71 -38.82 91.95 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.19 -38.76 82.34 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 166.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.42 38.36 0.68 Allowed Glycine 0 N--CA 1.487 2.095 0 N-CA-C 117.843 1.897 . . . . 0.0 117.843 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -112.36 -18.81 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.235 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.6 pt -142.43 152.41 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.051 0 C-N-CA 124.24 1.016 . . . . 0.0 111.401 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -101.66 121.77 42.65 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.494 -0.754 . . . . 0.0 110.188 161.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.27 106.21 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.2 t -79.48 92.83 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.1 m -80.78 101.43 9.34 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.829 0.823 . . . . 0.0 112.477 -163.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.85 -53.25 0.69 Allowed Glycine 0 N--CA 1.486 1.994 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.994 -161.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.02 123.38 26.76 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -60.33 -52.19 66.32 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -91.55 82.66 5.32 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-O 121.744 0.783 . . . . 0.0 109.219 162.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.71 72.18 0.34 Allowed Glycine 0 N--CA 1.484 1.854 0 N-CA-C 114.987 0.755 . . . . 0.0 114.987 -170.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.3 mt -136.05 102.64 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.72 128.92 34.92 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.23 -0.918 . . . . 0.0 112.175 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 tp -80.36 120.79 24.87 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.779 0.832 . . . . 0.0 112.266 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.58 -51.82 2.82 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.43 162.31 41.37 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 121.599 0.714 . . . . 0.0 111.966 -165.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -145.24 -97.29 0.1 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.087 -1.008 . . . . 0.0 108.728 161.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 178.026 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -138.71 98.79 3.64 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 121.888 0.851 . . . . 0.0 109.786 175.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.11 133.77 35.04 Favored 'General case' 0 CA--C 1.56 1.339 0 N-CA-C 114.422 1.267 . . . . 0.0 114.422 -171.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.8 mt -103.52 131.51 50.57 Favored 'General case' 0 CA--C 1.567 1.623 0 CA-C-O 121.108 0.48 . . . . 0.0 112.079 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.2 p -68.24 155.72 39.1 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 113.523 0.935 . . . . 0.0 113.523 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -50.03 -49.06 52.2 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 119.115 3.005 . . . . 0.0 119.115 -171.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -75.03 -34.85 61.93 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 116.281 1.956 . . . . 0.0 116.281 176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -65.24 -39.63 92.94 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 164.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -57.4 -37.63 73.02 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 115.862 1.801 . . . . 0.0 115.862 164.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.01 -45.78 82.81 Favored 'General case' 0 CA--C 1.581 2.164 0 CA-C-N 120.974 1.715 . . . . 0.0 115.557 163.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.6 t -56.55 -49.62 76.83 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.264 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 167.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -56.7 -46.59 81.11 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 171.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -58.41 -41.21 84.42 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 tp -62.41 -37.64 86.6 Favored 'General case' 0 CA--C 1.579 2.082 0 CA-C-N 121.088 1.767 . . . . 0.0 115.732 168.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.0 mt -58.85 -51.61 70.24 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 167.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -60.7 -44.16 96.9 Favored 'General case' 0 CA--C 1.579 2.072 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 171.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.35 -45.15 94.51 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 20.2 t60 -67.52 -36.89 81.9 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 115.667 1.728 . . . . 0.0 115.667 172.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.6 mt -61.99 -47.11 94.74 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 CA-C-N 119.53 1.059 . . . . 0.0 113.054 166.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 t -62.65 -29.45 70.64 Favored 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 117.889 2.551 . . . . 0.0 117.889 172.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -85.07 -46.38 11.21 Favored 'General case' 0 CA--C 1.578 2.023 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 172.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.4 p -108.26 -18.88 13.65 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.16 -45.79 2.06 Favored Glycine 0 CA--C 1.547 2.071 0 N-CA-C 116.502 1.361 . . . . 0.0 116.502 -162.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 13.2 ptp -94.93 155.47 39.1 Favored Pre-proline 0 CA--C 1.571 1.78 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.97 160.76 39.86 Favored 'Trans proline' 0 CA--C 1.564 2.014 0 C-N-CA 122.363 2.042 . . . . 0.0 116.205 173.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -83.22 163.35 15.19 Favored 'Trans proline' 0 N--CA 1.498 1.762 0 C-N-CA 122.251 1.967 . . . . 0.0 115.4 -176.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 75.7 p -74.23 156.8 36.85 Favored 'General case' 0 CA--C 1.575 1.913 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 168.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.88 -30.59 67.87 Favored 'General case' 0 CA--C 1.585 2.299 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 167.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.98 86.55 Favored 'General case' 0 CA--C 1.568 1.667 0 N-CA-C 116.368 1.988 . . . . 0.0 116.368 163.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -55.72 -43.77 76.84 Favored 'General case' 0 CA--C 1.576 1.949 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 167.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.3 mt -59.74 -47.95 89.36 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.053 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 171.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.85 91.12 Favored 'General case' 0 CA--C 1.57 1.736 0 N-CA-C 117.238 2.31 . . . . 0.0 117.238 170.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -77.14 -48.51 17.49 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 115.661 1.726 . . . . 0.0 115.661 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -72.14 -40.59 67.96 Favored 'General case' 0 CA--C 1.571 1.77 0 N-CA-C 115.795 1.776 . . . . 0.0 115.795 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 89.0 mt -77.49 -16.53 58.67 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 116.958 2.207 . . . . 0.0 116.958 171.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.09 68.15 1.29 Allowed Glycine 0 N--CA 1.481 1.696 0 N-CA-C 115.73 1.052 . . . . 0.0 115.73 175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -112.47 124.34 52.3 Favored 'General case' 0 CA--C 1.567 1.625 0 C-N-CA 123.424 0.689 . . . . 0.0 110.21 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -65.41 -37.19 86.21 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 115.679 1.733 . . . . 0.0 115.679 174.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 72.2 m -113.29 117.21 45.76 Favored Pre-proline 0 CA--C 1.567 1.612 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.604 170.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -52.69 -25.87 27.88 Favored 'Trans proline' 0 N--CA 1.509 2.387 0 N-CA-C 119.958 3.022 . . . . 0.0 119.958 171.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -59.57 -30.53 68.71 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 116.856 2.169 . . . . 0.0 116.856 165.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.56 -42.51 91.74 Favored 'General case' 0 CA--C 1.571 1.753 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.02 -46.63 82.21 Favored 'General case' 0 CA--C 1.571 1.783 0 N-CA-C 116.198 1.925 . . . . 0.0 116.198 165.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.55 -43.85 84.74 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 116.216 1.932 . . . . 0.0 116.216 166.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -62.21 -43.93 97.73 Favored 'General case' 0 N--CA 1.493 1.696 0 N-CA-C 115.816 1.784 . . . . 0.0 115.816 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -62.88 -39.89 95.84 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 167.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 16.0 tp -57.31 -47.32 81.82 Favored 'General case' 0 CA--C 1.574 1.867 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 166.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -55.28 -48.02 74.67 Favored 'General case' 0 CA--C 1.571 1.781 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 167.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -55.32 -37.19 67.08 Favored 'General case' 0 CA--C 1.572 1.804 0 N-CA-C 117.793 2.516 . . . . 0.0 117.793 168.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.0 -49.27 78.13 Favored 'General case' 0 CA--C 1.584 2.279 0 N-CA-C 115.142 1.534 . . . . 0.0 115.142 166.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.92 -43.22 99.3 Favored 'General case' 0 CA--C 1.57 1.743 0 N-CA-C 116.755 2.132 . . . . 0.0 116.755 170.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.71 -38.82 91.95 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 116.177 1.918 . . . . 0.0 116.177 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -68.19 -38.76 82.34 Favored 'General case' 0 CA--C 1.579 2.092 0 N-CA-C 115.632 1.715 . . . . 0.0 115.632 166.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.42 38.36 0.68 Allowed Glycine 0 N--CA 1.487 2.095 0 N-CA-C 117.843 1.897 . . . . 0.0 117.843 173.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.1 m -112.36 -18.81 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.583 2.235 0 N-CA-C 116.133 1.901 . . . . 0.0 116.133 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.6 pt -142.43 152.41 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.578 2.051 0 C-N-CA 124.24 1.016 . . . . 0.0 111.401 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -101.66 121.77 42.65 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.494 -0.754 . . . . 0.0 110.188 161.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 39.0 mt -85.27 106.21 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 172.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.2 t -79.48 92.83 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 73.1 m -80.78 101.43 9.34 Favored 'General case' 0 N--CA 1.486 1.36 0 CA-C-O 121.829 0.823 . . . . 0.0 112.477 -163.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.85 -53.25 0.69 Allowed Glycine 0 N--CA 1.486 1.994 0 CA-C-N 115.344 -0.844 . . . . 0.0 113.994 -161.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.02 123.38 26.76 Favored 'General case' 0 CA--C 1.563 1.47 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 62.5 m -60.33 -52.19 66.32 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 115.929 1.826 . . . . 0.0 115.929 -179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -91.55 82.66 5.32 Favored 'General case' 0 CA--C 1.568 1.67 0 CA-C-O 121.744 0.783 . . . . 0.0 109.219 162.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.71 72.18 0.34 Allowed Glycine 0 N--CA 1.484 1.854 0 N-CA-C 114.987 0.755 . . . . 0.0 114.987 -170.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.3 mt -136.05 102.64 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.832 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 176.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -85.72 128.92 34.92 Favored 'General case' 0 CA--C 1.564 1.513 0 O-C-N 121.23 -0.918 . . . . 0.0 112.175 -177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 17.2 tp -80.36 120.79 24.87 Favored 'General case' 0 CA--C 1.563 1.464 0 C-N-CA 123.779 0.832 . . . . 0.0 112.266 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.58 -51.82 2.82 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.43 162.31 41.37 Favored 'General case' 0 CA--C 1.57 1.734 0 CA-C-O 121.599 0.714 . . . . 0.0 111.966 -165.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -145.24 -97.29 0.1 Allowed 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.087 -1.008 . . . . 0.0 108.728 161.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 . . . . . 0 N--CA 1.492 1.642 0 N-CA-C 116.915 2.191 . . . . 0.0 116.915 178.026 . . . . . . . . 0 0 . 1 stop_ save_