data_1edi_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 1edi _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 1.476 0.827 0 CA-C-O 120.638 0.256 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 1.223 ' O ' ' CD2' ' A' ' 3' ' ' HIS . 3.4 pm0 -59.14 -30.65 68.31 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.778 1.231 . . . . 0.0 111.673 170.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 1.223 ' CD2' ' O ' ' A' ' 2' ' ' GLN . 87.3 m-70 166.83 -150.76 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.0 1.72 . . . . 0.0 107.996 -176.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 55.63 51.49 12.5 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.512 1.125 . . . . 0.0 111.174 170.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.12 -44.4 84.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.134 0.573 . . . . 0.0 111.632 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.84 94.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.179 0.591 . . . . 0.0 111.269 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -60.0 -56.26 23.87 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.554 1.142 . . . . 0.0 110.345 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -66.37 -38.76 88.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.576 0.35 . . . . 0.0 111.176 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.313 0.645 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.35 75.11 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.999 0.519 . . . . 0.0 110.951 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -58.66 -51.62 69.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.312 0.645 . . . . 0.0 111.725 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -58.68 -43.65 89.98 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.585 0.754 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -61.54 -51.27 69.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.395 0.678 . . . . 0.0 110.783 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.97 -41.65 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.191 0.596 . . . . 0.0 111.259 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.58 -53.57 55.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.167 0.44 . . . . 0.0 110.619 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -84.78 64.48 8.6 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.059 0.944 . . . . 0.0 110.859 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.9 mtt -136.07 90.98 17.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.673 1.589 . . . . 0.0 107.086 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -72.68 -12.9 27.0 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.541 2.827 . . . . 0.0 114.05 -168.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -88.77 -15.4 34.77 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.945 0.793 . . . . 0.0 110.951 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.1 165.92 23.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 170.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -104.06 179.77 4.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.12 37.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.206 0.602 . . . . 0.0 111.023 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.41 -45.97 69.57 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.27 -60.72 3.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.297 1.039 . . . . 0.0 111.16 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -63.76 -40.82 97.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.022 0.374 . . . . 0.0 111.737 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -63.09 -40.54 97.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.813 0.445 . . . . 0.0 110.629 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.83 -50.61 57.57 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 173.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -62.28 -41.25 98.33 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.603 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.92 -47.53 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 119.079 0.854 . . . . 0.0 110.484 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -64.03 -37.55 87.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.715 0.406 . . . . 0.0 111.378 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -61.44 -42.53 98.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.098 0.408 . . . . 0.0 110.663 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -48.95 78.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.817 1.247 . . . . 0.0 110.026 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -58.75 -47.01 86.14 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.118 1.367 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.44 -45.08 81.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.832 0.853 . . . . 0.0 111.076 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -118.64 77.64 14.56 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 125.068 1.347 . . . . 0.0 109.572 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.84 -30.18 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.886 2.391 . . . . 0.0 111.341 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.7 p -54.71 -39.48 68.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.836 0.854 . . . . 0.0 111.601 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -89.83 39.85 0.97 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.798 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -58.4 -51.34 70.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.816 0.446 . . . . 0.0 110.414 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.51 97.3 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.276 1.03 . . . . 0.0 111.915 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -64.48 -54.05 38.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.832 0.453 . . . . 0.0 110.369 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.49 -45.34 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 123.63 0.772 . . . . 0.0 110.711 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.74 -49.61 74.72 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.836 0.854 . . . . 0.0 110.753 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.3 59.18 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.985 0.802 . . . . 0.0 111.986 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.2 -47.87 83.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.395 1.078 . . . . 0.0 110.816 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.22 91.22 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.496 0.719 . . . . 0.0 111.271 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -62.65 -41.38 99.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.559 0.744 . . . . 0.0 110.886 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.41 -46.65 87.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.428 0.691 . . . . 0.0 110.416 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.53 -40.59 93.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.581 0.352 . . . . 0.0 110.731 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.33 -49.78 76.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.087 0.955 . . . . 0.0 110.604 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.96 -49.92 75.48 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.16 0.984 . . . . 0.0 111.091 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.5 p -61.37 -33.05 73.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.242 0.617 . . . . 0.0 112.003 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -89.37 10.72 21.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.444 0.698 . . . . 0.0 112.179 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 139.7 95.68 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 119.174 0.897 . . . . 0.0 110.415 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.761 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 61.4 Cg_endo -69.69 -40.83 4.96 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.135 2.557 . . . . 0.0 111.4 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.761 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 29.5 tptp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.969 -1.491 . . . . 0.0 109.715 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.638 0.256 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 1.023 ' O ' ' ND1' ' A' ' 3' ' ' HIS . 3.4 pm0 -59.14 -30.65 68.31 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.778 1.231 . . . . 0.0 111.673 170.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 1.023 ' ND1' ' O ' ' A' ' 2' ' ' GLN . 73.5 m80 166.83 -150.76 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.0 1.72 . . . . 0.0 107.996 -176.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 55.63 51.49 12.5 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.512 1.125 . . . . 0.0 111.174 170.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.12 -44.4 84.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.134 0.573 . . . . 0.0 111.632 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.84 94.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.179 0.591 . . . . 0.0 111.269 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -60.0 -56.26 23.87 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.554 1.142 . . . . 0.0 110.345 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -66.37 -38.76 88.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.576 0.35 . . . . 0.0 111.176 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.313 0.645 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.35 75.11 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.999 0.519 . . . . 0.0 110.951 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -58.66 -51.62 69.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.312 0.645 . . . . 0.0 111.725 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -58.68 -43.65 89.98 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.585 0.754 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -61.54 -51.27 69.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.395 0.678 . . . . 0.0 110.783 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.97 -41.65 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.191 0.596 . . . . 0.0 111.259 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.58 -53.57 55.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.167 0.44 . . . . 0.0 110.619 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -84.78 64.48 8.6 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.059 0.944 . . . . 0.0 110.859 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.9 mtt -136.07 90.98 17.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.673 1.589 . . . . 0.0 107.086 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -72.68 -12.9 27.0 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.541 2.827 . . . . 0.0 114.05 -168.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -88.77 -15.4 34.77 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.945 0.793 . . . . 0.0 110.951 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.1 165.92 23.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 170.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -104.06 179.77 4.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.12 37.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.206 0.602 . . . . 0.0 111.023 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.41 -45.97 69.57 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.27 -60.72 3.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.297 1.039 . . . . 0.0 111.16 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -63.76 -40.82 97.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.022 0.374 . . . . 0.0 111.737 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -63.09 -40.54 97.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.813 0.445 . . . . 0.0 110.629 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.83 -50.61 57.57 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 173.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -62.28 -41.25 98.33 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.603 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.92 -47.53 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 119.079 0.854 . . . . 0.0 110.484 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -64.03 -37.55 87.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.715 0.406 . . . . 0.0 111.378 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -61.44 -42.53 98.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.098 0.408 . . . . 0.0 110.663 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -48.95 78.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.817 1.247 . . . . 0.0 110.026 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -58.75 -47.01 86.14 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.118 1.367 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.44 -45.08 81.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.832 0.853 . . . . 0.0 111.076 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -118.64 77.64 14.56 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 125.068 1.347 . . . . 0.0 109.572 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.84 -30.18 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.886 2.391 . . . . 0.0 111.341 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.7 p -54.71 -39.48 68.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.836 0.854 . . . . 0.0 111.601 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -89.83 39.85 0.97 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.798 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -58.4 -51.34 70.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.816 0.446 . . . . 0.0 110.414 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.51 97.3 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.276 1.03 . . . . 0.0 111.915 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -64.48 -54.05 38.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.832 0.453 . . . . 0.0 110.369 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.49 -45.34 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 123.63 0.772 . . . . 0.0 110.711 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.74 -49.61 74.72 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.836 0.854 . . . . 0.0 110.753 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.3 59.18 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.985 0.802 . . . . 0.0 111.986 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.2 -47.87 83.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.395 1.078 . . . . 0.0 110.816 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.22 91.22 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.496 0.719 . . . . 0.0 111.271 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -62.65 -41.38 99.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.559 0.744 . . . . 0.0 110.886 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.41 -46.65 87.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.428 0.691 . . . . 0.0 110.416 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.53 -40.59 93.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.581 0.352 . . . . 0.0 110.731 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.33 -49.78 76.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.087 0.955 . . . . 0.0 110.604 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.96 -49.92 75.48 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.16 0.984 . . . . 0.0 111.091 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.5 p -61.37 -33.05 73.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.242 0.617 . . . . 0.0 112.003 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -89.37 10.72 21.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.444 0.698 . . . . 0.0 112.179 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 139.7 95.68 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 119.174 0.897 . . . . 0.0 110.415 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.77 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 61.4 Cg_endo -69.69 -40.83 4.96 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.135 2.557 . . . . 0.0 111.4 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.77 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 29.5 tptp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.969 -1.491 . . . . 0.0 109.715 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.827 0 CA-C-O 120.638 0.256 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 1.223 ' O ' ' CD2' ' A' ' 3' ' ' HIS . 3.4 pm0 -59.14 -30.65 68.31 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.778 1.231 . . . . 0.0 111.673 170.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 1.223 ' CD2' ' O ' ' A' ' 2' ' ' GLN . 87.3 m-70 166.83 -150.76 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 126.0 1.72 . . . . 0.0 107.996 -176.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 55.63 51.49 12.5 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.512 1.125 . . . . 0.0 111.174 170.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -66.12 -44.4 84.4 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.134 0.573 . . . . 0.0 111.632 -170.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.86 -42.84 94.54 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.179 0.591 . . . . 0.0 111.269 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.6 tp-100 -60.0 -56.26 23.87 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.554 1.142 . . . . 0.0 110.345 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -66.37 -38.76 88.29 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.576 0.35 . . . . 0.0 111.176 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -58.63 -51.29 70.53 Favored 'General case' 0 C--N 1.341 0.236 0 C-N-CA 123.313 0.645 . . . . 0.0 110.306 178.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.98 -46.35 75.11 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 122.999 0.519 . . . . 0.0 110.951 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -58.66 -51.62 69.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 123.312 0.645 . . . . 0.0 111.725 177.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -58.68 -43.65 89.98 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.585 0.754 . . . . 0.0 111.206 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -61.54 -51.27 69.3 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.395 0.678 . . . . 0.0 110.783 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.1 t -54.97 -41.65 59.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 C-N-CA 123.191 0.596 . . . . 0.0 111.259 178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -60.58 -53.57 55.92 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 118.167 0.44 . . . . 0.0 110.619 173.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 28.4 m-80 -84.78 64.48 8.6 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.059 0.944 . . . . 0.0 110.859 -176.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.9 mtt -136.07 90.98 17.65 Favored Pre-proline 0 CA--C 1.533 0.313 0 C-N-CA 125.673 1.589 . . . . 0.0 107.086 173.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -72.68 -12.9 27.0 Favored 'Trans proline' 0 N--CA 1.457 -0.655 0 C-N-CA 123.541 2.827 . . . . 0.0 114.05 -168.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.4 m-20 -88.77 -15.4 34.77 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.945 0.793 . . . . 0.0 110.951 -177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.1 165.92 23.34 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 170.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.8 p30 -104.06 179.77 4.18 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 167.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.67 -55.12 37.09 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.206 0.602 . . . . 0.0 111.023 -177.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -53.41 -45.97 69.57 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.085 0.954 . . . . 0.0 111.366 -177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.27 -60.72 3.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.297 1.039 . . . . 0.0 111.16 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -63.76 -40.82 97.63 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 118.022 0.374 . . . . 0.0 111.737 -173.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -63.09 -40.54 97.95 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.813 0.445 . . . . 0.0 110.629 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.83 -50.61 57.57 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 173.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -62.28 -41.25 98.33 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-O 118.725 -0.655 . . . . 0.0 111.603 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.4 mt -57.92 -47.53 86.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 119.079 0.854 . . . . 0.0 110.484 175.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 mm100 -64.03 -37.55 87.84 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 122.715 0.406 . . . . 0.0 111.378 178.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.7 m -61.44 -42.53 98.91 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.098 0.408 . . . . 0.0 110.663 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.98 -48.95 78.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.817 1.247 . . . . 0.0 110.026 177.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -58.75 -47.01 86.14 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 125.118 1.367 . . . . 0.0 110.719 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -66.44 -45.08 81.03 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.832 0.853 . . . . 0.0 111.076 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -118.64 77.64 14.56 Favored Pre-proline 0 CA--C 1.533 0.322 0 C-N-CA 125.068 1.347 . . . . 0.0 109.572 -176.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -64.84 -30.18 58.46 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.886 2.391 . . . . 0.0 111.341 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.7 p -54.71 -39.48 68.23 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.836 0.854 . . . . 0.0 111.601 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 66.9 mt-30 -89.83 39.85 0.97 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.207 1.003 . . . . 0.0 111.798 -175.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.1 m -58.4 -51.34 70.22 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 122.816 0.446 . . . . 0.0 110.414 174.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.03 -44.51 97.3 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.276 1.03 . . . . 0.0 111.915 -178.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -64.48 -54.05 38.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.832 0.453 . . . . 0.0 110.369 -179.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -55.49 -45.34 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 123.63 0.772 . . . . 0.0 110.711 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.8 tp -56.74 -49.61 74.72 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.836 0.854 . . . . 0.0 110.753 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.06 -51.3 59.18 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 123.985 0.802 . . . . 0.0 111.986 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -59.2 -47.87 83.74 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 124.395 1.078 . . . . 0.0 110.816 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.69 -46.22 91.22 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.496 0.719 . . . . 0.0 111.271 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -62.65 -41.38 99.03 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.559 0.744 . . . . 0.0 110.886 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.41 -46.65 87.6 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.428 0.691 . . . . 0.0 110.416 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.2 tp -65.53 -40.59 93.11 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.581 0.352 . . . . 0.0 110.731 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -60.33 -49.78 76.22 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.087 0.955 . . . . 0.0 110.604 174.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -60.96 -49.92 75.48 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.16 0.984 . . . . 0.0 111.091 -177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.5 p -61.37 -33.05 73.01 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.242 0.617 . . . . 0.0 112.003 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -89.37 10.72 21.43 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.444 0.698 . . . . 0.0 112.179 177.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.99 139.7 95.68 Favored Pre-proline 0 CA--C 1.533 0.299 0 CA-C-N 119.174 0.897 . . . . 0.0 110.415 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.77 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 61.4 Cg_endo -69.69 -40.83 4.96 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.135 2.557 . . . . 0.0 111.4 -178.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.77 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 29.5 tptp . . . . . 0 C--O 1.25 1.13 0 CA-C-O 116.969 -1.491 . . . . 0.0 109.715 179.93 . . . . . . . . 1 1 . 1 stop_ save_