data_1dhg_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 1dhg _Structure_validation_residue.Date_analyzed 2016-10-12 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 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 110.197 -0.297 . . . . 73.38 110.197 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -87.06 157.27 19.45 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.981 1.845 . . . . 76.82 115.981 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.46 133.22 52.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.358 -0.837 . . . . 77.13 110.576 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.12 -23.64 32.42 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.481 -0.866 . . . . 57.89 114.002 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.27 149.53 37.56 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 117.384 0.592 . . . . 52.72 111.613 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.5 t -114.45 131.74 65.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 46.76 110.748 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -121.44 141.18 51.25 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.091 0.472 . . . . 39.73 111.54 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -123.68 143.82 50.03 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.213 -0.903 . . . . 46.9 110.512 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.62 112.05 24.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 105.76 -1.941 . . . . 39.59 105.76 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.79 -15.21 62.66 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.925 2.194 . . . . 63.74 116.925 -178.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.7 mt -84.23 -28.07 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 115.033 1.494 . . . . 40.03 115.033 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 p -134.23 0.34 3.09 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 112.955 0.724 . . . . 38.35 112.955 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.01 70.66 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 119.002 2.361 . . . . 40.46 119.002 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -71.11 131.88 44.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.777 -1.194 . . . . 42.05 107.777 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.2 136.36 55.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.553 -0.906 . . . . 37.47 108.553 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.8 m -134.36 154.33 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.179 -0.304 . . . . 36.67 110.179 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -118.27 132.45 56.3 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.288 -1.004 . . . . 54.43 108.288 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.05 116.3 20.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.206 0.527 . . . . 40.99 111.984 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 66.5 mt -88.75 -41.84 12.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.333 -0.848 . . . . 46.22 110.433 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.58 124.67 42.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.08 -1.082 . . . . 69.5 108.08 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.26 140.61 58.89 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 124.07 0.856 . . . . 62.25 111.38 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -146.92 165.48 28.49 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 110.028 -1.229 . . . . 47.64 110.028 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.36 -14.54 61.81 Favored Glycine 0 C--N 1.333 0.365 0 N-CA-C 117.987 1.955 . . . . 45.03 117.987 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.44 157.49 46.21 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 42.23 113.531 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.5 m -90.83 129.87 36.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.556 -0.535 . . . . 35.71 109.556 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.9 mt -72.78 123.69 23.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.45 -0.795 . . . . 29.03 111.893 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.82 147.8 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.081 0.952 . . . . 34.9 110.524 179.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.7 t -155.94 138.73 15.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.37 -1.715 . . . . 36.12 106.37 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.2 m 54.36 35.7 23.62 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.316 -0.624 . . . . 42.63 109.316 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.74 -0.89 25.59 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 116.12 1.208 . . . . 39.74 116.12 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -119.27 151.1 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.795 0.798 . . . . 53.07 112.81 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.92 132.49 53.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.312 -0.625 . . . . 41.98 109.312 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.1 mtp -73.48 148.8 42.84 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.137 -1.431 . . . . 38.29 107.137 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.4 t -93.62 133.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.3 0.482 . . . . 40.9 112.3 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -72.29 130.26 40.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.364 -1.347 . . . . 49.24 107.364 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 117.706 -1.14 . . . . 48.63 111.093 -179.632 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 119.731 -0.176 . . . . 78.24 110.633 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -84.02 156.84 22.06 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.348 1.981 . . . . 75.34 116.348 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -65.5 133.76 51.95 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.338 -0.847 . . . . 82.25 109.467 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.15 -23.71 32.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.996 -0.621 . . . . 61.68 113.33 -179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.15 150.88 24.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 117.481 0.641 . . . . 57.92 111.502 179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.6 t -118.6 131.52 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.717 -0.674 . . . . 43.02 109.547 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -120.45 139.94 52.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.682 -0.69 . . . . 40.64 112.815 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -126.29 144.07 50.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.865 -0.607 . . . . 48.86 109.607 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.64 115.06 29.83 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.104 -1.813 . . . . 51.39 106.104 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.48 -18.47 64.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 116.727 2.121 . . . . 74.33 116.727 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -83.34 -25.99 30.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.657 1.354 . . . . 52.56 114.657 -178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.22 -2.86 3.12 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.631 0.604 . . . . 48.31 112.631 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.02 17.67 71.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 117.912 1.925 . . . . 41.85 117.912 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -75.53 134.82 40.66 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.836 -1.172 . . . . 39.61 107.836 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -119.29 138.4 50.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 N-CA-C 108.877 -0.786 . . . . 31.39 108.877 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.95 155.37 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 35.58 110.798 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LYS . . . . . . . . . . . . . 31.7 tttt -117.72 133.84 55.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.833 -0.802 . . . . 45.88 108.833 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.15 113.71 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.963 -0.562 . . . . 40.69 111.523 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.74 -43.39 11.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.456 0.302 . . . . 47.9 110.601 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -125.85 126.24 44.15 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.08 -1.082 . . . . 58.79 108.08 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -64.51 140.37 58.86 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.731 0.812 . . . . 67.34 112.039 -179.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -147.34 166.19 28.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.582 -1.007 . . . . 48.91 110.582 179.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.6 -14.86 60.83 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 117.525 1.77 . . . . 44.56 117.525 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.99 156.48 47.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.228 -0.987 . . . . 40.63 114.027 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -90.86 128.68 36.83 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 109.488 -0.56 . . . . 40.11 109.488 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 mt -73.41 124.25 25.42 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.564 0.54 . . . . 36.56 111.827 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.481 1.112 . . . . 32.29 111.39 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 18.4 t -155.07 139.77 17.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 106.601 -1.629 . . . . 35.04 106.601 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 m 55.06 34.28 22.19 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.272 -0.64 . . . . 43.6 109.272 -178.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.49 -1.78 34.12 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 115.977 1.151 . . . . 43.71 115.977 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -119.67 153.54 35.4 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 118.119 0.96 . . . . 51.18 113.058 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.77 131.92 51.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.175 -0.921 . . . . 53.55 108.764 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtp -73.19 148.86 43.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.504 -1.665 . . . . 41.5 106.504 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 21.2 t -94.59 131.84 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.66 0.615 . . . . 44.86 112.66 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -70.2 128.75 37.34 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.496 -0.928 . . . . 57.53 108.496 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.256 1.433 0 CA-C-O 117.796 -1.097 . . . . 51.56 112.925 -179.186 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' O ' ' HG3' ' A' ' 21' ' ' GLU . . . . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 110.197 -0.297 . . . . 73.38 110.197 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -87.06 157.27 19.45 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.981 1.845 . . . . 76.82 115.981 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.46 133.22 52.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.358 -0.837 . . . . 77.13 110.576 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.12 -23.64 32.42 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.481 -0.866 . . . . 57.89 114.002 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.27 149.53 37.56 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 117.384 0.592 . . . . 52.72 111.613 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.5 t -114.45 131.74 65.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 46.76 110.748 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -121.44 141.18 51.25 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.091 0.472 . . . . 39.73 111.54 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -123.68 143.82 50.03 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.213 -0.903 . . . . 46.9 110.512 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.62 112.05 24.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 105.76 -1.941 . . . . 39.59 105.76 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.79 -15.21 62.66 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.925 2.194 . . . . 63.74 116.925 -178.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.7 mt -84.23 -28.07 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 115.033 1.494 . . . . 40.03 115.033 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 p -134.23 0.34 3.09 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 112.955 0.724 . . . . 38.35 112.955 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.01 70.66 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 119.002 2.361 . . . . 40.46 119.002 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . 0.461 ' HB2' ' HA3' ' B' ' 22' ' ' GLY . 14.2 tt0 -71.11 131.88 44.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.777 -1.194 . . . . 42.05 107.777 178.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.2 136.36 55.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.553 -0.906 . . . . 37.47 108.553 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.8 m -134.36 154.33 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.179 -0.304 . . . . 36.67 110.179 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -118.27 132.45 56.3 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.288 -1.004 . . . . 54.43 108.288 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.05 116.3 20.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.206 0.527 . . . . 40.99 111.984 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' B' ' 17' ' ' LYS . 66.5 mt -88.75 -41.84 12.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.333 -0.848 . . . . 46.22 110.433 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.58 124.67 42.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.08 -1.082 . . . . 69.5 108.08 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 1' ' ' ALA . 41.6 tt0 -64.26 140.61 58.89 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 124.07 0.856 . . . . 62.25 111.38 178.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . 0.566 ' HA3' ' HB2' ' B' ' 14' ' ' GLN . . . -146.92 165.48 28.49 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 110.028 -1.229 . . . . 47.64 110.028 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.36 -14.54 61.81 Favored Glycine 0 C--N 1.333 0.365 0 N-CA-C 117.987 1.955 . . . . 45.03 117.987 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.44 157.49 46.21 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 42.23 113.531 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.5 m -90.83 129.87 36.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.556 -0.535 . . . . 35.71 109.556 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.9 mt -72.78 123.69 23.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.45 -0.795 . . . . 29.03 111.893 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.82 147.8 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.081 0.952 . . . . 34.9 110.524 179.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.7 t -155.94 138.73 15.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.37 -1.715 . . . . 36.12 106.37 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.2 m 54.36 35.7 23.62 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.316 -0.624 . . . . 42.63 109.316 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.74 -0.89 25.59 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 116.12 1.208 . . . . 39.74 116.12 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -119.27 151.1 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.795 0.798 . . . . 53.07 112.81 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.92 132.49 53.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.312 -0.625 . . . . 41.98 109.312 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.1 mtp -73.48 148.8 42.84 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.137 -1.431 . . . . 38.29 107.137 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.4 t -93.62 133.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.3 0.482 . . . . 40.9 112.3 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -72.29 130.26 40.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.364 -1.347 . . . . 49.24 107.364 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 117.706 -1.14 . . . . 48.63 111.093 -179.632 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 119.731 -0.176 . . . . 78.24 110.633 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -84.02 156.84 22.06 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.348 1.981 . . . . 75.34 116.348 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -65.5 133.76 51.95 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.338 -0.847 . . . . 82.25 109.467 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . 0.583 ' HA2' ' HE2' ' B' ' 17' ' ' LYS . . . 95.15 -23.71 32.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.996 -0.621 . . . . 61.68 113.33 -179.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.15 150.88 24.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 117.481 0.641 . . . . 57.92 111.502 179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.6 t -118.6 131.52 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.717 -0.674 . . . . 43.02 109.547 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -120.45 139.94 52.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.682 -0.69 . . . . 40.64 112.815 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -126.29 144.07 50.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.865 -0.607 . . . . 48.86 109.607 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.64 115.06 29.83 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.104 -1.813 . . . . 51.39 106.104 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.48 -18.47 64.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 116.727 2.121 . . . . 74.33 116.727 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -83.34 -25.99 30.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.657 1.354 . . . . 52.56 114.657 -178.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.22 -2.86 3.12 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.631 0.604 . . . . 48.31 112.631 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.02 17.67 71.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 117.912 1.925 . . . . 41.85 117.912 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLN . . . . . 0.566 ' HB2' ' HA3' ' A' ' 22' ' ' GLY . 7.6 tt0 -75.53 134.82 40.66 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.836 -1.172 . . . . 39.61 107.836 179.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -119.29 138.4 50.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 N-CA-C 108.877 -0.786 . . . . 31.39 108.877 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.95 155.37 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 35.58 110.798 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LYS . . . . . 0.654 ' HB2' HD11 ' A' ' 19' ' ' LEU . 31.7 tttt -117.72 133.84 55.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.833 -0.802 . . . . 45.88 108.833 179.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.15 113.71 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.963 -0.562 . . . . 40.69 111.523 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.74 -43.39 11.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.456 0.302 . . . . 47.9 110.601 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -125.85 126.24 44.15 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.08 -1.082 . . . . 58.79 108.08 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 1' ' ' ALA . 47.1 tt0 -64.51 140.37 58.86 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.731 0.812 . . . . 67.34 112.039 -179.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLY . . . . . 0.461 ' HA3' ' HB2' ' A' ' 14' ' ' GLN . . . -147.34 166.19 28.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.582 -1.007 . . . . 48.91 110.582 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.6 -14.86 60.83 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 117.525 1.77 . . . . 44.56 117.525 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.99 156.48 47.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.228 -0.987 . . . . 40.63 114.027 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -90.86 128.68 36.83 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 109.488 -0.56 . . . . 40.11 109.488 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 mt -73.41 124.25 25.42 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.564 0.54 . . . . 36.56 111.827 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.481 1.112 . . . . 32.29 111.39 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 18.4 t -155.07 139.77 17.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 106.601 -1.629 . . . . 35.04 106.601 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 m 55.06 34.28 22.19 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.272 -0.64 . . . . 43.6 109.272 -178.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.49 -1.78 34.12 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 115.977 1.151 . . . . 43.71 115.977 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -119.67 153.54 35.4 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 118.119 0.96 . . . . 51.18 113.058 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.77 131.92 51.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.175 -0.921 . . . . 53.55 108.764 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtp -73.19 148.86 43.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.504 -1.665 . . . . 41.5 106.504 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 21.2 t -94.59 131.84 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.66 0.615 . . . . 44.86 112.66 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -70.2 128.75 37.34 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.496 -0.928 . . . . 57.53 108.496 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.256 1.433 0 CA-C-O 117.796 -1.097 . . . . 51.56 112.925 -179.186 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.653 ' HB3' HE22 ' B' ' 14' ' ' GLN . . . . . . . . 0 N--CA 1.498 1.936 0 N-CA-C 110.197 -0.297 . . . . 73.38 110.197 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -87.06 157.27 19.45 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 115.981 1.845 . . . . 76.82 115.981 -178.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 46.6 tt0 -64.46 133.22 52.03 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 115.358 -0.837 . . . . 77.13 110.576 -179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.12 -23.64 32.42 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 120.481 -0.866 . . . . 57.89 114.002 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.27 149.53 37.56 Favored 'General case' 0 CA--C 1.522 -0.107 0 CA-C-N 117.384 0.592 . . . . 52.72 111.613 -179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 58.5 t -114.45 131.74 65.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.865 -0.607 . . . . 46.76 110.748 179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -121.44 141.18 51.25 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.091 0.472 . . . . 39.73 111.54 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -123.68 143.82 50.03 Favored 'General case' 0 CA--C 1.514 -0.405 0 CA-C-N 115.213 -0.903 . . . . 46.9 110.512 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 t -101.62 112.05 24.49 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 105.76 -1.941 . . . . 39.59 105.76 178.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.79 -15.21 62.66 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 116.925 2.194 . . . . 63.74 116.925 -178.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 93.7 mt -84.23 -28.07 27.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 115.033 1.494 . . . . 40.03 115.033 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.4 p -134.23 0.34 3.09 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 112.955 0.724 . . . . 38.35 112.955 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.69 15.01 70.66 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 119.002 2.361 . . . . 40.46 119.002 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.461 ' HB2' ' HA3' ' B' ' 22' ' ' GLY . 14.2 tt0 -71.11 131.88 44.25 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 107.777 -1.194 . . . . 42.05 107.777 178.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 57.5 t -118.2 136.36 55.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 N-CA-C 108.553 -0.906 . . . . 37.47 108.553 179.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 19.8 m -134.36 154.33 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 110.179 -0.304 . . . . 36.67 110.179 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -118.27 132.45 56.3 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 108.288 -1.004 . . . . 54.43 108.288 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 59.8 t -77.05 116.3 20.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-O 121.206 0.527 . . . . 40.99 111.984 -179.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.654 HD11 ' HB2' ' B' ' 17' ' ' LYS . 66.5 mt -88.75 -41.84 12.3 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.333 -0.848 . . . . 46.22 110.433 179.237 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -124.58 124.67 42.74 Favored 'General case' 0 CA--C 1.515 -0.376 0 N-CA-C 108.08 -1.082 . . . . 69.5 108.08 179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 1' ' ' ALA . 41.6 tt0 -64.26 140.61 58.89 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 124.07 0.856 . . . . 62.25 111.38 178.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.566 ' HA3' ' HB2' ' B' ' 14' ' ' GLN . . . -146.92 165.48 28.49 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 110.028 -1.229 . . . . 47.64 110.028 179.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.36 -14.54 61.81 Favored Glycine 0 C--N 1.333 0.365 0 N-CA-C 117.987 1.955 . . . . 45.03 117.987 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -77.44 157.49 46.21 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.591 -0.814 . . . . 42.23 113.531 -179.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.5 m -90.83 129.87 36.85 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 109.556 -0.535 . . . . 35.71 109.556 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.9 mt -72.78 123.69 23.86 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.45 -0.795 . . . . 29.03 111.893 -179.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 53.0 t -121.82 147.8 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 124.081 0.952 . . . . 34.9 110.524 179.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 37.7 t -155.94 138.73 15.22 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 106.37 -1.715 . . . . 36.12 106.37 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 50.2 m 54.36 35.7 23.62 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 109.316 -0.624 . . . . 42.63 109.316 -177.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 70.74 -0.89 25.59 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 116.12 1.208 . . . . 39.74 116.12 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -119.27 151.1 38.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.795 0.798 . . . . 53.07 112.81 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -61.92 132.49 53.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 N-CA-C 109.312 -0.625 . . . . 41.98 109.312 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 30.1 mtp -73.48 148.8 42.84 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.137 -1.431 . . . . 38.29 107.137 178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.4 t -93.62 133.0 36.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.3 0.482 . . . . 40.9 112.3 -179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -72.29 130.26 40.37 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.364 -1.347 . . . . 49.24 107.364 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 117.706 -1.14 . . . . 48.63 111.093 -179.632 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.492 ' O ' ' HG3' ' B' ' 21' ' ' GLU . . . . . . . . 0 N--CA 1.499 2.024 0 CA-C-O 119.731 -0.176 . . . . 78.24 110.633 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -84.02 156.84 22.06 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.348 1.981 . . . . 75.34 116.348 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -65.5 133.76 51.95 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.338 -0.847 . . . . 82.25 109.467 179.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . 0.583 ' HA2' ' HE2' ' B' ' 17' ' ' LYS . . . 95.15 -23.71 32.15 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.996 -0.621 . . . . 61.68 113.33 -179.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.15 150.88 24.06 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 117.481 0.641 . . . . 57.92 111.502 179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 97.6 t -118.6 131.52 71.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.717 -0.674 . . . . 43.02 109.547 179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -120.45 139.94 52.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.682 -0.69 . . . . 40.64 112.815 -178.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -126.29 144.07 50.93 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 115.865 -0.607 . . . . 48.86 109.607 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . . . . . . . . . 1.4 t -102.64 115.06 29.83 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 106.104 -1.813 . . . . 51.39 106.104 177.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.48 -18.47 64.81 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 116.727 2.121 . . . . 74.33 116.727 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -83.34 -25.99 30.96 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.657 1.354 . . . . 52.56 114.657 -178.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.22 -2.86 3.12 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.631 0.604 . . . . 48.31 112.631 -179.929 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . 69.02 17.67 71.99 Favored Glycine 0 N--CA 1.45 -0.415 0 N-CA-C 117.912 1.925 . . . . 41.85 117.912 178.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.653 HE22 ' HB3' ' A' ' 1' ' ' ALA . 42.8 tt0 -75.53 134.82 40.66 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.836 -1.172 . . . . 39.61 107.836 179.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 81.9 t -119.29 138.4 50.1 Favored 'Isoleucine or valine' 0 C--O 1.241 0.624 0 N-CA-C 108.877 -0.786 . . . . 31.39 108.877 -179.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 26.1 m -135.95 155.37 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.386 -0.37 . . . . 35.58 110.798 179.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.654 ' HB2' HD11 ' A' ' 19' ' ' LEU . 31.7 tttt -117.72 133.84 55.52 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.833 -0.802 . . . . 45.88 108.833 179.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 78.4 t -76.15 113.71 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.627 0 CA-C-N 115.963 -0.562 . . . . 40.69 111.523 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 93.0 mt -87.74 -43.39 11.93 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 122.456 0.302 . . . . 47.9 110.601 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -125.85 126.24 44.15 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.08 -1.082 . . . . 58.79 108.08 178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' B' ' 1' ' ' ALA . 47.1 tt0 -64.51 140.37 58.86 Favored 'General case' 0 C--O 1.243 0.721 0 C-N-CA 123.731 0.812 . . . . 67.34 112.039 -179.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLY . . . . . 0.461 ' HA3' ' HB2' ' A' ' 14' ' ' GLN . . . -147.34 166.19 28.6 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.582 -1.007 . . . . 48.91 110.582 179.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.6 -14.86 60.83 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 117.525 1.77 . . . . 44.56 117.525 -178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -75.99 156.48 47.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.228 -0.987 . . . . 40.63 114.027 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 96.7 m -90.86 128.68 36.83 Favored 'General case' 0 C--O 1.241 0.639 0 N-CA-C 109.488 -0.56 . . . . 40.11 109.488 179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 31.6 mt -73.41 124.25 25.42 Favored 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.564 0.54 . . . . 36.56 111.827 -178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 53.8 t -122.42 145.94 28.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.481 1.112 . . . . 32.29 111.39 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' CYS . . . . . . . . . . . . . 18.4 t -155.07 139.77 17.06 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 106.601 -1.629 . . . . 35.04 106.601 178.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' CYS . . . . . . . . . . . . . 46.1 m 55.06 34.28 22.19 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 109.272 -0.64 . . . . 43.6 109.272 -178.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.49 -1.78 34.12 Favored Glycine 0 N--CA 1.446 -0.648 0 N-CA-C 115.977 1.151 . . . . 43.71 115.977 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -119.67 153.54 35.4 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 118.119 0.96 . . . . 51.18 113.058 179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -61.77 131.92 51.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.175 -0.921 . . . . 53.55 108.764 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' MET . . . . . . . . . . . . . 59.4 mtp -73.19 148.86 43.39 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 106.504 -1.665 . . . . 41.5 106.504 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 21.2 t -94.59 131.84 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 112.66 0.615 . . . . 44.86 112.66 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 59.5 tttt -70.2 128.75 37.34 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 108.496 -0.928 . . . . 57.53 108.496 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 . . . . . 0 C--O 1.256 1.433 0 CA-C-O 117.796 -1.097 . . . . 51.56 112.925 -179.186 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ' HG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_