data_2oed_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 2oed _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--O 1.232 0.182 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.47 126.22 35.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.66 151.23 27.93 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -119.74 145.66 46.35 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -120.94 125.52 47.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.6 t -107.2 121.31 59.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mt -109.83 115.85 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 0.0 110.435 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -112.77 70.64 0.72 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.026 -1.443 . . . . 0.0 109.832 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.32 171.1 36.4 Favored Glycine 0 C--O 1.231 -0.068 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.834 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.971 0.891 . . . . 0.0 109.988 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.39 -30.09 4.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.986 -1.461 . . . . 0.0 112.048 -172.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -109.55 126.19 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.034 -0.416 . . . . 0.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -138.8 138.59 37.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.76 -150.27 20.06 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 120.445 1.475 . . . . 0.0 110.449 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -145.46 153.5 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.922 -1.139 . . . . 0.0 111.583 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -148.5 170.57 17.76 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.068 -1.826 . . . . 0.0 106.068 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -138.33 164.32 29.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.207 0.527 . . . . 0.0 111.225 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.3 t -153.06 153.93 33.85 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.93 136.26 47.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.77 159.39 41.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.368 0.604 . . . . 0.0 110.694 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 m -76.81 -24.12 15.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.19 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -151.7 168.11 26.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.0 81.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.009 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -35.0 79.04 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.57 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.5 m -68.7 -39.21 80.6 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.701 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.91 89.78 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.23 -45.53 87.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.835 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -61.23 -42.37 98.49 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.23 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.64 95.78 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -70.66 -36.08 73.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 118.908 -0.567 . . . . 0.0 111.507 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.21 -36.07 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.15 0.887 . . . . 0.0 109.172 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -67.06 -43.88 81.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -58.65 -46.71 86.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.69 92.24 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.979 -0.451 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.2 -29.17 69.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.981 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.54 10.33 41.33 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.53 20.99 78.77 Favored Glycine 0 C--N 1.318 -0.43 0 N-CA-C 116.364 1.306 . . . . 0.0 116.364 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.62 127.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 119.226 1.513 . . . . 0.0 109.041 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -129.98 91.62 3.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.65 -165.65 10.75 Favored Glycine 0 C--N 1.321 -0.275 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.303 -177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 m -105.06 146.32 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -114.3 147.31 39.27 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.5 p -131.5 160.54 34.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -139.73 130.27 25.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.608 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.03 109.32 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.97 -25.79 68.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.107 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.48 73.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 120.736 -1.227 . . . . 0.0 112.465 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -112.21 2.7 16.77 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.421 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt 50.96 42.61 28.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 111.707 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.1 m -122.15 132.3 54.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.482 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -103.62 146.29 28.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.9 m -131.09 137.9 49.3 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.07 129.91 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -127.02 133.85 50.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.737 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--N 1.317 -0.812 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.587 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--O 1.232 0.182 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -90.47 126.22 35.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 176.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.66 151.23 27.93 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -119.74 145.66 46.35 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -120.94 125.52 47.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.6 t -107.2 121.31 59.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mt -109.83 115.85 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 0.0 110.435 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -112.77 70.64 0.72 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.026 -1.443 . . . . 0.0 109.832 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.32 171.1 36.4 Favored Glycine 0 C--O 1.231 -0.068 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.834 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.971 0.891 . . . . 0.0 109.988 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.39 -30.09 4.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.986 -1.461 . . . . 0.0 112.048 -172.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -109.55 126.19 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.034 -0.416 . . . . 0.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -138.8 138.59 37.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.76 -150.27 20.06 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 120.445 1.475 . . . . 0.0 110.449 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -145.46 153.5 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.922 -1.139 . . . . 0.0 111.583 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -148.5 170.57 17.76 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.068 -1.826 . . . . 0.0 106.068 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -138.33 164.32 29.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.207 0.527 . . . . 0.0 111.225 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.592 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.3 t -153.06 153.93 33.85 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.93 136.26 47.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.77 159.39 41.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.368 0.604 . . . . 0.0 110.694 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 m -76.81 -24.12 15.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.19 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -151.7 168.11 26.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.0 81.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.009 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -35.0 79.04 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.57 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.5 m -68.7 -39.21 80.6 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.701 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.91 89.78 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.23 -45.53 87.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.835 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -61.23 -42.37 98.49 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.23 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.64 95.78 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.9 m-85 -70.66 -36.08 73.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 118.908 -0.567 . . . . 0.0 111.507 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.21 -36.07 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.15 0.887 . . . . 0.0 109.172 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -67.06 -43.88 81.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -58.65 -46.71 86.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.69 92.24 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.979 -0.451 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.2 -29.17 69.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.981 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.54 10.33 41.33 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.53 20.99 78.77 Favored Glycine 0 C--N 1.318 -0.43 0 N-CA-C 116.364 1.306 . . . . 0.0 116.364 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.62 127.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 119.226 1.513 . . . . 0.0 109.041 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -129.98 91.62 3.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.65 -165.65 10.75 Favored Glycine 0 C--N 1.321 -0.275 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.303 -177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 m -105.06 146.32 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -114.3 147.31 39.27 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.5 p -131.5 160.54 34.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -139.73 130.27 25.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.608 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.03 109.32 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.97 -25.79 68.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.107 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.48 73.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 120.736 -1.227 . . . . 0.0 112.465 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -112.21 2.7 16.77 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.421 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt 50.96 42.61 28.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 111.707 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.1 m -122.15 132.3 54.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.482 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -103.62 146.29 28.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.9 m -131.09 137.9 49.3 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.07 129.91 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -127.02 133.85 50.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.737 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--N 1.317 -0.812 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.587 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtp . . . . . 0 C--O 1.232 0.182 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -90.47 126.22 35.84 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 176.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -110.66 151.23 27.93 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -119.74 145.66 46.35 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -178.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.4 tp -120.94 125.52 47.64 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 71.6 t -107.2 121.31 59.89 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 N-CA-C 103.641 -2.726 . . . . 0.0 103.641 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mt -109.83 115.85 50.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.303 0.573 . . . . 0.0 110.435 -177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -112.77 70.64 0.72 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.026 -1.443 . . . . 0.0 109.832 176.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.32 171.1 36.4 Favored Glycine 0 C--O 1.231 -0.068 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.834 -176.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 mtpt -64.53 -41.64 96.24 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.971 0.891 . . . . 0.0 109.988 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.39 -30.09 4.98 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 113.986 -1.461 . . . . 0.0 112.048 -172.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.0 tp -109.55 126.19 53.32 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.034 -0.416 . . . . 0.0 110.138 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -138.8 138.59 37.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 160.76 -150.27 20.06 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 120.445 1.475 . . . . 0.0 110.449 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -145.46 153.5 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 113.922 -1.139 . . . . 0.0 111.583 177.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -148.5 170.57 17.76 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 106.068 -1.826 . . . . 0.0 106.068 176.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.9 p -138.33 164.32 29.59 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.207 0.527 . . . . 0.0 111.225 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.592 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.3 t -153.06 153.93 33.85 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 176.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.93 136.26 47.93 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.702 -1.221 . . . . 0.0 107.702 178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.77 159.39 41.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.368 0.604 . . . . 0.0 110.694 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 m -76.81 -24.12 15.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.19 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.0 p30 -151.7 168.11 26.07 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.215 0.531 . . . . 0.0 109.885 178.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.52 -36.0 81.62 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.444 -0.798 . . . . 0.0 113.009 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.86 -35.0 79.04 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.312 -0.955 . . . . 0.0 110.57 -178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 99.5 m -68.7 -39.21 80.6 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.448 -0.501 . . . . 0.0 109.701 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.91 89.78 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -58.23 -45.53 87.57 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.835 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -61.23 -42.37 98.49 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.23 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.64 95.78 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.657 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' CZ ' HG22 ' A' ' 18' ' ' THR . 8.9 m-85 -70.66 -36.08 73.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 118.908 -0.567 . . . . 0.0 111.507 -179.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -66.21 -36.07 82.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 119.15 0.887 . . . . 0.0 109.172 178.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.3 tp60 -67.06 -43.88 81.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 19.9 t80 -58.65 -46.71 86.55 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.69 92.24 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 121.979 -0.451 . . . . 0.0 110.52 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -61.55 -43.91 98.0 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.458 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -61.2 -29.17 69.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 119.836 -0.126 . . . . 0.0 110.981 -179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -100.54 10.33 41.33 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.53 20.99 78.77 Favored Glycine 0 C--N 1.318 -0.43 0 N-CA-C 116.364 1.306 . . . . 0.0 116.364 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.7 t -91.62 127.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 119.226 1.513 . . . . 0.0 109.041 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -129.98 91.62 3.16 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -135.65 -165.65 10.75 Favored Glycine 0 C--N 1.321 -0.275 0 C-N-CA 120.395 -0.907 . . . . 0.0 113.303 -177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 m -105.06 146.32 12.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 106.506 -1.664 . . . . 0.0 106.506 178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -114.3 147.31 39.27 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 -175.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.5 p -131.5 160.54 34.9 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 167.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -139.73 130.27 25.67 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.608 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -116.03 109.32 17.36 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 177.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.97 -25.79 68.02 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.107 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.21 -33.48 73.39 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 120.736 -1.227 . . . . 0.0 112.465 -178.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.0 p -112.21 2.7 16.77 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.421 -178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt 50.96 42.61 28.51 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.705 0.764 . . . . 0.0 111.707 -179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.1 m -122.15 132.3 54.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.292 -1.322 . . . . 0.0 111.482 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -103.62 146.29 28.78 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 174.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 38.9 m -131.09 137.9 49.3 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.174 -1.787 . . . . 0.0 106.174 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.6 p -127.07 129.91 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 175.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.5 t -127.02 133.85 50.44 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.521 -1.218 . . . . 0.0 112.737 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 . . . . . 0 C--N 1.317 -0.812 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.587 . . . . . . . . 0 0 . 1 stop_ save_