data_2lpf_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 2lpf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.0 ttt -134.28 137.07 44.01 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.048 1.739 . . . . 0.0 107.802 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.33 140.69 48.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.092 0.86 . . . . 0.0 110.495 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -128.62 -18.91 3.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.756 1.223 . . . . 0.0 113.456 169.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 m -152.88 142.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 127.255 2.222 . . . . 0.0 109.192 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.11 5.48 25.96 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.82 -14.07 58.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -163.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.52 -5.77 9.77 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.755 1.622 . . . . 0.0 113.538 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 p -107.36 -44.59 4.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 126.022 1.729 . . . . 0.0 111.405 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -60.3 128.81 38.56 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 124.426 1.091 . . . . 0.0 110.814 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m 51.23 25.69 2.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -41.03 62.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -167.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.2 tt -102.66 15.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.63 1.572 . . . . 0.0 113.884 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -126.01 -32.24 2.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -70.67 -19.38 62.79 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -171.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.35 -117.95 0.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.399 1.48 . . . . 0.0 112.387 -173.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 m -81.71 4.05 23.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.5 p -96.9 164.2 12.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.254 1.421 . . . . 0.0 112.307 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 pt -127.63 140.9 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 124.844 1.258 . . . . 0.0 112.908 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.66 64.98 1.0 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.108 1.763 . . . . 0.0 110.053 -175.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 40.0 mtt -144.96 153.55 53.79 Favored Pre-proline 0 N--CA 1.446 -0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.58 -167.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.01 4.89 4.34 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.957 2.438 . . . . 0.0 114.503 168.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -111.56 118.14 34.9 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.789 1.235 . . . . 0.0 109.877 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -60.51 -29.34 69.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.508 1.523 . . . . 0.0 114.145 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.86 145.62 40.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.124 -0.985 . . . . 0.0 112.242 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -139.43 -9.71 1.25 Allowed 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 126.855 2.062 . . . . 0.0 114.648 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -130.56 146.66 52.13 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.749 1.22 . . . . 0.0 111.967 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -70.92 -20.01 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.95 -32.56 74.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 120.214 1.37 . . . . 0.0 113.08 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -63.74 -45.81 88.19 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 119.634 1.106 . . . . 0.0 110.958 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.44 -44.96 89.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 112.77 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.31 -29.99 60.2 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.44 -45.99 81.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 119.511 1.051 . . . . 0.0 112.13 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 tp -67.01 -32.38 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 119.24 0.927 . . . . 0.0 111.886 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.65 -47.0 88.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.968 0.804 . . . . 0.0 112.582 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -64.16 -39.38 93.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.039 0.936 . . . . 0.0 112.408 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.93 87.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.536 -0.728 . . . . 0.0 112.692 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.73 -42.73 97.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.434 1.094 . . . . 0.0 112.155 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.08 -44.31 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.553 0.741 . . . . 0.0 110.722 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -69.18 -39.34 78.77 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 tt -73.76 -30.33 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 119.376 0.989 . . . . 0.0 112.309 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -65.73 -41.45 92.19 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.952 0.901 . . . . 0.0 112.065 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.22 -44.04 97.47 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.859 0.864 . . . . 0.0 111.694 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.43 -41.86 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.628 0.771 . . . . 0.0 112.414 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.53 -52.32 66.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.366 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.1 pt -71.19 -25.69 25.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 119.05 0.841 . . . . 0.0 113.124 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.26 95.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.538 1.063 . . . . 0.0 111.537 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.14 -51.05 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.407 -0.808 . . . . 0.0 111.075 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.259 32.4 pt -79.57 13.31 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.85 -21.01 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 C-N-CA 125.629 1.572 . . . . 0.0 112.494 171.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ttt -126.33 -11.3 6.34 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.7 tp -111.91 -19.39 12.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 120.269 1.395 . . . . 0.0 113.946 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.202 1.801 . . . . 0.0 113.949 -163.396 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.0 ttt -134.28 137.07 44.01 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.048 1.739 . . . . 0.0 107.802 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.33 140.69 48.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.092 0.86 . . . . 0.0 110.495 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -128.62 -18.91 3.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.756 1.223 . . . . 0.0 113.456 169.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 m -152.88 142.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 127.255 2.222 . . . . 0.0 109.192 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.11 5.48 25.96 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.82 -14.07 58.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -163.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.52 -5.77 9.77 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.755 1.622 . . . . 0.0 113.538 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 p -107.36 -44.59 4.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 126.022 1.729 . . . . 0.0 111.405 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -60.3 128.81 38.56 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 124.426 1.091 . . . . 0.0 110.814 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m 51.23 25.69 2.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -41.03 62.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -167.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.2 tt -102.66 15.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.63 1.572 . . . . 0.0 113.884 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -126.01 -32.24 2.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -70.67 -19.38 62.79 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -171.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.35 -117.95 0.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.399 1.48 . . . . 0.0 112.387 -173.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 m -81.71 4.05 23.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.5 p -96.9 164.2 12.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.254 1.421 . . . . 0.0 112.307 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 pt -127.63 140.9 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 124.844 1.258 . . . . 0.0 112.908 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.66 64.98 1.0 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.108 1.763 . . . . 0.0 110.053 -175.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 40.0 mtt -144.96 153.55 53.79 Favored Pre-proline 0 N--CA 1.446 -0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.58 -167.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.01 4.89 4.34 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.957 2.438 . . . . 0.0 114.503 168.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -111.56 118.14 34.9 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.789 1.235 . . . . 0.0 109.877 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -60.51 -29.34 69.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.508 1.523 . . . . 0.0 114.145 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.86 145.62 40.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.124 -0.985 . . . . 0.0 112.242 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -139.43 -9.71 1.25 Allowed 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 126.855 2.062 . . . . 0.0 114.648 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -130.56 146.66 52.13 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.749 1.22 . . . . 0.0 111.967 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -70.92 -20.01 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.95 -32.56 74.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 120.214 1.37 . . . . 0.0 113.08 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -63.74 -45.81 88.19 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 119.634 1.106 . . . . 0.0 110.958 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.44 -44.96 89.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 112.77 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.31 -29.99 60.2 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.44 -45.99 81.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 119.511 1.051 . . . . 0.0 112.13 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 tp -67.01 -32.38 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 119.24 0.927 . . . . 0.0 111.886 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.65 -47.0 88.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.968 0.804 . . . . 0.0 112.582 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -64.16 -39.38 93.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.039 0.936 . . . . 0.0 112.408 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.93 87.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.536 -0.728 . . . . 0.0 112.692 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.73 -42.73 97.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.434 1.094 . . . . 0.0 112.155 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.08 -44.31 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.553 0.741 . . . . 0.0 110.722 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -69.18 -39.34 78.77 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 tt -73.76 -30.33 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 119.376 0.989 . . . . 0.0 112.309 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -65.73 -41.45 92.19 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.952 0.901 . . . . 0.0 112.065 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.22 -44.04 97.47 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.859 0.864 . . . . 0.0 111.694 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.43 -41.86 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.628 0.771 . . . . 0.0 112.414 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.53 -52.32 66.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.366 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.1 pt -71.19 -25.69 25.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 119.05 0.841 . . . . 0.0 113.124 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.26 95.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.538 1.063 . . . . 0.0 111.537 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.14 -51.05 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.407 -0.808 . . . . 0.0 111.075 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.259 32.4 pt -79.57 13.31 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.85 -21.01 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 C-N-CA 125.629 1.572 . . . . 0.0 112.494 171.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ttt -126.33 -11.3 6.34 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.7 tp -111.91 -19.39 12.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 120.269 1.395 . . . . 0.0 113.946 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.202 1.801 . . . . 0.0 113.949 -163.396 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.639 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.0 ttt -134.28 137.07 44.01 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 126.048 1.739 . . . . 0.0 107.802 177.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -72.33 140.69 48.64 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-N 119.092 0.86 . . . . 0.0 110.495 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -128.62 -18.91 3.83 Favored 'General case' 0 N--CA 1.445 -0.681 0 C-N-CA 124.756 1.223 . . . . 0.0 113.456 169.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.8 m -152.88 142.26 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.477 0 C-N-CA 127.255 2.222 . . . . 0.0 109.192 176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -84.11 5.48 25.96 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 115.472 1.656 . . . . 0.0 115.472 -170.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -64.82 -14.07 58.0 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 115.977 1.843 . . . . 0.0 115.977 -163.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.4 mt -120.52 -5.77 9.77 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 125.755 1.622 . . . . 0.0 113.538 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 p -107.36 -44.59 4.28 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 126.022 1.729 . . . . 0.0 111.405 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 27.4 ttm-85 -60.3 128.81 38.56 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 124.426 1.091 . . . . 0.0 110.814 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.8 m 51.23 25.69 2.58 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 115.798 1.777 . . . . 0.0 115.798 175.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.38 -41.03 62.77 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 114.863 1.431 . . . . 0.0 114.863 -167.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.2 tt -102.66 15.42 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.63 1.572 . . . . 0.0 113.884 178.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -126.01 -32.24 2.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.7 ptt85 -70.67 -19.38 62.79 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -171.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 45.35 -117.95 0.68 Allowed 'General case' 0 CA--C 1.514 -0.418 0 C-N-CA 125.399 1.48 . . . . 0.0 112.387 -173.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 m -81.71 4.05 23.31 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 -177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.5 p -96.9 164.2 12.65 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.254 1.421 . . . . 0.0 112.307 174.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.5 pt -127.63 140.9 47.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 C-N-CA 124.844 1.258 . . . . 0.0 112.908 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -101.66 64.98 1.0 Allowed 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.108 1.763 . . . . 0.0 110.053 -175.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 40.0 mtt -144.96 153.55 53.79 Favored Pre-proline 0 N--CA 1.446 -0.63 0 C-N-CA 124.396 1.078 . . . . 0.0 113.58 -167.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -75.01 4.89 4.34 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.957 2.438 . . . . 0.0 114.503 168.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -111.56 118.14 34.9 Favored 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 124.789 1.235 . . . . 0.0 109.877 177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 40.9 mm-40 -60.51 -29.34 69.04 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.508 1.523 . . . . 0.0 114.145 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -138.86 145.62 40.2 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.124 -0.985 . . . . 0.0 112.242 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -139.43 -9.71 1.25 Allowed 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 126.855 2.062 . . . . 0.0 114.648 177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -130.56 146.66 52.13 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 124.749 1.22 . . . . 0.0 111.967 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -70.92 -20.01 62.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 114.866 1.432 . . . . 0.0 114.866 -165.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.95 -32.56 74.12 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 120.214 1.37 . . . . 0.0 113.08 170.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -63.74 -45.81 88.19 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-N 119.634 1.106 . . . . 0.0 110.958 172.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -64.44 -44.96 89.48 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 125.781 1.632 . . . . 0.0 112.77 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.31 -29.99 60.2 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 113.169 0.803 . . . . 0.0 113.169 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -65.44 -45.99 81.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 119.511 1.051 . . . . 0.0 112.13 173.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 9.8 tp -67.01 -32.38 57.68 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 119.24 0.927 . . . . 0.0 111.886 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -60.65 -47.0 88.18 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 118.968 0.804 . . . . 0.0 112.582 171.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 -64.16 -39.38 93.88 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.039 0.936 . . . . 0.0 112.408 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.93 87.39 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.536 -0.728 . . . . 0.0 112.692 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -63.73 -42.73 97.84 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 124.434 1.094 . . . . 0.0 112.155 172.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -62.08 -44.31 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.553 0.741 . . . . 0.0 110.722 174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 42.9 tp -69.18 -39.34 78.77 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -177.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.4 tt -73.76 -30.33 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.903 0 CA-C-N 119.376 0.989 . . . . 0.0 112.309 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -65.73 -41.45 92.19 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 123.952 0.901 . . . . 0.0 112.065 170.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 59.5 tp -62.22 -44.04 97.47 Favored 'General case' 0 N--CA 1.448 -0.551 0 C-N-CA 123.859 0.864 . . . . 0.0 111.694 173.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.43 -41.86 97.84 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 123.628 0.771 . . . . 0.0 112.414 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.53 -52.32 66.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.335 -0.841 . . . . 0.0 111.366 176.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 34.1 pt -71.19 -25.69 25.85 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 CA-C-N 119.05 0.841 . . . . 0.0 113.124 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.3 -44.26 95.51 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 119.538 1.063 . . . . 0.0 111.537 170.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 75.4 mt -63.14 -51.05 76.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.618 0 O-C-N 121.407 -0.808 . . . . 0.0 111.075 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . 0.259 32.4 pt -79.57 13.31 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 N-CA-C 115.189 1.552 . . . . 0.0 115.189 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.5 t -125.85 -21.01 2.44 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.954 0 C-N-CA 125.629 1.572 . . . . 0.0 112.494 171.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ttt -126.33 -11.3 6.34 Favored 'General case' 0 N--CA 1.44 -0.95 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 -171.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.7 tp -111.91 -19.39 12.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 120.269 1.395 . . . . 0.0 113.946 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.257 1.454 0 C-N-CA 126.202 1.801 . . . . 0.0 113.949 -163.396 . . . . . . . . 0 0 . 1 stop_ save_