data_1edk_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 1edk _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.97 103.18 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.135 1.374 . . . . 0.0 111.739 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 p80 45.14 35.84 1.85 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.631 1.972 . . . . 0.0 113.048 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.68 140.92 42.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.03 -47.6 85.68 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.697 0.799 . . . . 0.0 111.945 -172.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.26 94.76 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.443 0.297 . . . . 0.0 110.865 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -60.91 -56.8 16.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.382 0.673 . . . . 0.0 111.01 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -64.47 -35.65 81.62 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.555 0.742 . . . . 0.0 111.19 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.85 -45.0 93.82 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.915 0.486 . . . . 0.0 110.759 173.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.31 66.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.074 0.397 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -55.2 -51.64 65.91 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 111.572 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -56.08 -48.28 76.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.49 0.716 . . . . 0.0 111.307 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.49 -43.26 85.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.088 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.61 -42.36 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.747 0.703 . . . . 0.0 110.995 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.89 -53.12 59.02 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.049 0.386 . . . . 0.0 110.661 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -83.67 64.24 7.87 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.788 1.235 . . . . 0.0 110.473 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.4 mtt -135.58 100.87 11.06 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 173.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.78 -19.21 31.52 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.497 2.798 . . . . 0.0 114.0 -168.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -89.04 -15.23 34.58 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.628 0.649 . . . . 0.0 111.112 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.4 143.91 42.49 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.4 0.545 . . . . 0.0 109.591 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -89.67 173.09 8.49 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.93 49.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.599 0.76 . . . . 0.0 111.381 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.3 -46.93 72.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.881 0.872 . . . . 0.0 111.446 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.07 -58.33 9.02 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.906 0.882 . . . . 0.0 111.278 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -64.3 -38.55 91.45 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.882 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.2 -44.11 97.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.841 0.456 . . . . 0.0 110.457 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.99 -51.21 47.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 175.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -60.31 -45.73 92.38 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 118.798 -0.62 . . . . 0.0 111.411 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.85 -48.41 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 118.885 0.766 . . . . 0.0 110.966 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -58.88 -47.21 85.76 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.065 0.393 . . . . 0.0 110.685 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 m -56.74 -38.93 73.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.938 0.495 . . . . 0.0 111.441 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -47.73 79.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.144 1.378 . . . . 0.0 110.397 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -60.76 -44.15 97.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.036 0.934 . . . . 0.0 110.997 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.77 -45.59 89.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.507 0.723 . . . . 0.0 110.669 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.31 78.79 67.17 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 124.616 1.167 . . . . 0.0 109.99 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.05 -26.12 58.35 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.83 2.353 . . . . 0.0 110.616 172.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -55.04 -38.71 68.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.943 0.897 . . . . 0.0 110.95 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.91 33.15 2.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.669 1.187 . . . . 0.0 111.494 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -56.95 -51.05 70.7 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.545 0.611 . . . . 0.0 110.838 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.17 87.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.061 0.944 . . . . 0.0 111.792 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -63.09 -53.36 54.78 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.13 0.572 . . . . 0.0 110.559 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.23 -44.65 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.974 0.91 . . . . 0.0 110.921 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 tt -55.79 -53.56 55.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.674 1.19 . . . . 0.0 109.529 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.19 -49.45 63.41 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.305 0.955 . . . . 0.0 112.378 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.03 -45.83 91.52 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.287 1.035 . . . . 0.0 110.862 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -45.91 92.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.422 0.689 . . . . 0.0 111.202 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -62.13 -41.26 98.09 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.458 0.703 . . . . 0.0 110.862 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.4 -46.24 87.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.533 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.34 -40.77 90.07 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.738 0.415 . . . . 0.0 110.422 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.39 -51.48 69.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.573 0.749 . . . . 0.0 110.337 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.94 -47.9 83.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.13 0.972 . . . . 0.0 111.281 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.6 p -60.5 -33.89 73.28 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.969 0.508 . . . . 0.0 111.713 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -89.54 11.42 19.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.048 0.939 . . . . 0.0 112.246 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 129.0 93.46 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 119.053 0.842 . . . . 0.0 109.822 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -48.21 -49.72 13.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.996 3.13 . . . . 0.0 113.164 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 C--O 1.252 1.209 0 CA-C-O 116.915 -1.517 . . . . 0.0 107.516 170.062 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.97 103.18 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.135 1.374 . . . . 0.0 111.739 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 p80 45.14 35.84 1.85 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.631 1.972 . . . . 0.0 113.048 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.68 140.92 42.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.03 -47.6 85.68 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.697 0.799 . . . . 0.0 111.945 -172.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.26 94.76 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.443 0.297 . . . . 0.0 110.865 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -60.91 -56.8 16.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.382 0.673 . . . . 0.0 111.01 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -64.47 -35.65 81.62 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.555 0.742 . . . . 0.0 111.19 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.85 -45.0 93.82 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.915 0.486 . . . . 0.0 110.759 173.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.31 66.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.074 0.397 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -55.2 -51.64 65.91 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 111.572 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -56.08 -48.28 76.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.49 0.716 . . . . 0.0 111.307 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.49 -43.26 85.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.088 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.61 -42.36 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.747 0.703 . . . . 0.0 110.995 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.89 -53.12 59.02 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.049 0.386 . . . . 0.0 110.661 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -83.67 64.24 7.87 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.788 1.235 . . . . 0.0 110.473 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.4 mtt -135.58 100.87 11.06 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 173.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.78 -19.21 31.52 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.497 2.798 . . . . 0.0 114.0 -168.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -89.04 -15.23 34.58 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.628 0.649 . . . . 0.0 111.112 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.4 143.91 42.49 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.4 0.545 . . . . 0.0 109.591 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -89.67 173.09 8.49 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.93 49.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.599 0.76 . . . . 0.0 111.381 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.3 -46.93 72.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.881 0.872 . . . . 0.0 111.446 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.07 -58.33 9.02 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.906 0.882 . . . . 0.0 111.278 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -64.3 -38.55 91.45 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.882 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.2 -44.11 97.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.841 0.456 . . . . 0.0 110.457 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.99 -51.21 47.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 175.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -60.31 -45.73 92.38 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 118.798 -0.62 . . . . 0.0 111.411 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.85 -48.41 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 118.885 0.766 . . . . 0.0 110.966 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -58.88 -47.21 85.76 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.065 0.393 . . . . 0.0 110.685 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 m -56.74 -38.93 73.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.938 0.495 . . . . 0.0 111.441 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -47.73 79.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.144 1.378 . . . . 0.0 110.397 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -60.76 -44.15 97.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.036 0.934 . . . . 0.0 110.997 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.77 -45.59 89.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.507 0.723 . . . . 0.0 110.669 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.31 78.79 67.17 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 124.616 1.167 . . . . 0.0 109.99 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.05 -26.12 58.35 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.83 2.353 . . . . 0.0 110.616 172.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -55.04 -38.71 68.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.943 0.897 . . . . 0.0 110.95 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.91 33.15 2.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.669 1.187 . . . . 0.0 111.494 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -56.95 -51.05 70.7 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.545 0.611 . . . . 0.0 110.838 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.17 87.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.061 0.944 . . . . 0.0 111.792 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -63.09 -53.36 54.78 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.13 0.572 . . . . 0.0 110.559 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.23 -44.65 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.974 0.91 . . . . 0.0 110.921 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 tt -55.79 -53.56 55.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.674 1.19 . . . . 0.0 109.529 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.19 -49.45 63.41 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.305 0.955 . . . . 0.0 112.378 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.03 -45.83 91.52 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.287 1.035 . . . . 0.0 110.862 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -45.91 92.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.422 0.689 . . . . 0.0 111.202 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -62.13 -41.26 98.09 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.458 0.703 . . . . 0.0 110.862 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.4 -46.24 87.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.533 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.34 -40.77 90.07 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.738 0.415 . . . . 0.0 110.422 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.39 -51.48 69.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.573 0.749 . . . . 0.0 110.337 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.94 -47.9 83.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.13 0.972 . . . . 0.0 111.281 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.6 p -60.5 -33.89 73.28 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.969 0.508 . . . . 0.0 111.713 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -89.54 11.42 19.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.048 0.939 . . . . 0.0 112.246 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 129.0 93.46 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 119.053 0.842 . . . . 0.0 109.822 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -48.21 -49.72 13.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.996 3.13 . . . . 0.0 113.164 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 C--O 1.252 1.209 0 CA-C-O 116.915 -1.517 . . . . 0.0 107.516 170.062 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.97 103.18 0.07 Allowed 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.135 1.374 . . . . 0.0 111.739 -178.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 p80 45.14 35.84 1.85 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 126.631 1.972 . . . . 0.0 113.048 -172.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -75.68 140.92 42.78 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -61.03 -47.6 85.68 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.697 0.799 . . . . 0.0 111.945 -172.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.47 -43.26 94.76 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.443 0.297 . . . . 0.0 110.865 177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -60.91 -56.8 16.89 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.382 0.673 . . . . 0.0 111.01 -177.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -64.47 -35.65 81.62 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.555 0.742 . . . . 0.0 111.19 -178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -59.85 -45.0 93.82 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 122.915 0.486 . . . . 0.0 110.759 173.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.31 66.07 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.074 0.397 . . . . 0.0 110.858 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -55.2 -51.64 65.91 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.151 0.581 . . . . 0.0 111.572 175.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -56.08 -48.28 76.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.49 0.716 . . . . 0.0 111.307 -177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.49 -43.26 85.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 118.856 -0.592 . . . . 0.0 111.088 -177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.8 t -55.61 -42.36 68.51 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.747 0.703 . . . . 0.0 110.995 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.9 mt -62.89 -53.12 59.02 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 118.049 0.386 . . . . 0.0 110.661 173.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.0 m-80 -83.67 64.24 7.87 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.788 1.235 . . . . 0.0 110.473 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 27.4 mtt -135.58 100.87 11.06 Favored Pre-proline 0 CA--C 1.535 0.385 0 N-CA-C 106.367 -1.716 . . . . 0.0 106.367 173.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -70.78 -19.21 31.52 Favored 'Trans proline' 0 N--CA 1.457 -0.648 0 C-N-CA 123.497 2.798 . . . . 0.0 114.0 -168.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 m-20 -89.04 -15.23 34.58 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 118.628 0.649 . . . . 0.0 111.112 -176.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.3 mt -75.4 143.91 42.49 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.4 0.545 . . . . 0.0 109.591 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -89.67 173.09 8.49 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 168.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.93 49.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.599 0.76 . . . . 0.0 111.381 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -54.3 -46.93 72.89 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.881 0.872 . . . . 0.0 111.446 -177.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -60.07 -58.33 9.02 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.906 0.882 . . . . 0.0 111.278 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.7 ptt180 -64.3 -38.55 91.45 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 119.354 -0.355 . . . . 0.0 111.882 -174.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -61.2 -44.11 97.81 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 122.841 0.456 . . . . 0.0 110.457 172.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.99 -51.21 47.43 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 175.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -60.31 -45.73 92.38 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 118.798 -0.62 . . . . 0.0 111.411 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -55.85 -48.41 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 118.885 0.766 . . . . 0.0 110.966 178.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.6 mm-40 -58.88 -47.21 85.76 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.065 0.393 . . . . 0.0 110.685 177.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.3 m -56.74 -38.93 73.06 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.938 0.495 . . . . 0.0 111.441 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.94 -47.73 79.33 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 125.144 1.378 . . . . 0.0 110.397 178.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -60.76 -44.15 97.11 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.036 0.934 . . . . 0.0 110.997 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -63.77 -45.59 89.11 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.507 0.723 . . . . 0.0 110.669 179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -125.31 78.79 67.17 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 124.616 1.167 . . . . 0.0 109.99 -174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -65.05 -26.12 58.35 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.83 2.353 . . . . 0.0 110.616 172.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 27.9 p -55.04 -38.71 68.34 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.943 0.897 . . . . 0.0 110.95 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -100.91 33.15 2.91 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.669 1.187 . . . . 0.0 111.494 -177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.5 m -56.95 -51.05 70.7 Favored 'General case' 0 C--N 1.342 0.276 0 CA-C-N 118.545 0.611 . . . . 0.0 110.838 175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.13 -43.17 87.1 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 124.061 0.944 . . . . 0.0 111.792 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -63.09 -53.36 54.78 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.13 0.572 . . . . 0.0 110.559 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.6 t -56.23 -44.65 79.97 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 123.974 0.91 . . . . 0.0 110.921 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 tt -55.79 -53.56 55.13 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.674 1.19 . . . . 0.0 109.529 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.19 -49.45 63.41 Favored Glycine 0 CA--C 1.53 1.013 0 C-N-CA 124.305 0.955 . . . . 0.0 112.378 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -60.03 -45.83 91.52 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.287 1.035 . . . . 0.0 110.862 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.61 -45.91 92.24 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.422 0.689 . . . . 0.0 111.202 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -62.13 -41.26 98.09 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.458 0.703 . . . . 0.0 110.862 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.4 -46.24 87.32 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.365 0.666 . . . . 0.0 110.533 178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.34 -40.77 90.07 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 122.738 0.415 . . . . 0.0 110.422 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -57.39 -51.48 69.26 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.573 0.749 . . . . 0.0 110.337 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -58.94 -47.9 83.4 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.13 0.972 . . . . 0.0 111.281 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.6 p -60.5 -33.89 73.28 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.969 0.508 . . . . 0.0 111.713 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -89.54 11.42 19.57 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.048 0.939 . . . . 0.0 112.246 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 129.0 93.46 Favored Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 119.053 0.842 . . . . 0.0 109.822 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_exo -48.21 -49.72 13.59 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 123.996 3.13 . . . . 0.0 113.164 176.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? . . . . . 0 C--O 1.252 1.209 0 CA-C-O 116.915 -1.517 . . . . 0.0 107.516 170.062 . . . . . . . . 0 0 . 1 stop_ save_