data_4ozc_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 4ozc _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' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.689 0.281 . . . . 48.079999999999998 110.68 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.2 m -86.89 117.42 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 46.380000000000003 110.904 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.47 150.33 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 42.939999999999998 109.771 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.1 144.49 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 71.519999999999996 111.694 -176.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -120.99 129.52 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.088 -0.505 . . . . 40.259999999999998 110.436 174.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -106.39 125.64 62.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.945 -0.761 . . . . 55.990000000000002 108.945 174.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -100.86 128.23 46.98 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.793 -0.64 . . . . 55.399999999999999 109.578 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -130.67 80.11 1.93 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.018 -1.073 . . . . 83.319999999999993 109.648 168.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.35 172.57 24.29 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.269 -0.878 . . . . 66.969999999999999 111.655 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.6 -43.34 97.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 92.75 111.316 -175.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.7 p -102.68 -23.11 13.85 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.263 0.468 . . . . 88.799999999999997 112.263 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.41 132.62 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.795 1.035 . . . . 74.209999999999994 113.795 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -131.34 123.81 29.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 83.969999999999999 110.011 171.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.16 -172.55 30.78 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 116.417 1.327 . . . . 62.350000000000001 116.417 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.24 132.68 25.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 114.481 -0.859 . . . . 83.25 108.943 -174.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -142.86 156.67 44.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.241 -0.584 . . . . 49.43 110.703 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 p -126.61 163.52 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 48.32 112.213 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -150.72 148.16 28.22 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.417 -0.957 . . . . 42.960000000000001 108.417 178.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' OE1' ' O ' ' A' ' 201' ' ' HOH . 26.8 tp10 -96.11 114.3 25.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.569 -0.9 . . . . 51.020000000000003 108.569 173.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.71 147.82 47.12 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.418 0.628 . . . . 43.780000000000001 112.075 -175.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -126.7 178.69 5.76 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 113.864 1.061 . . . . 51.590000000000003 113.864 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.7 83.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.603 -0.726 . . . . 39.039999999999999 112.177 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -51.71 -55.81 17.39 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.124 0.787 . . . . 46.579999999999998 113.124 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.55 96.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.564 -0.289 . . . . 38.759999999999998 111.712 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -65.77 -52.0 54.56 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.919 0.34 . . . . 45.18 111.919 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -53.54 -58.77 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 115.432 1.642 . . . . 48.119999999999997 115.432 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -73.59 -51.37 17.08 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.407 0.891 . . . . 45.57 113.407 -169.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.12 -38.04 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 117.843 2.534 . . . . 72.920000000000002 117.843 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -71.04 -43.59 67.56 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.192 -1.003 . . . . 56.149999999999999 111.198 -174.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.49 -34.66 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.976 0.417 . . . . 55.939999999999998 110.445 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.34 -28.12 51.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 113.01 0.745 . . . . 69.75 113.01 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -113.96 18.87 16.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.883 0.697 . . . . 59.909999999999997 112.883 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.36 37.86 92.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 114.624 0.609 . . . . 53.740000000000002 114.624 171.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -128.17 124.09 61.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 59.93 111.161 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 169.89 7.21 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 115.004 0.762 . . . . 53.07 115.004 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.77 128.1 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 122.894 0.477 . . . . 86.920000000000002 109.844 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -112.7 138.51 49.39 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 114.609 1.337 . . . . 46.210000000000001 114.609 -171.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -135.25 155.96 49.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 42.579999999999998 110.016 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -125.45 148.9 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 40.509999999999998 110.522 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.84 102.58 7.36 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.113 0.483 . . . . 46.079999999999998 110.763 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -56.6 -35.71 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.491 -0.777 . . . . 54.630000000000003 113.01 -176.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.42 77.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.997 0.427 . . . . 41.57 112.151 -175.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -115.11 3.22 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.107 -0.497 . . . . 46.890000000000001 111.784 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 52.45 44.65 29.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.94 0.4 . . . . 42.590000000000003 110.342 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -122.57 128.83 51.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.751 -0.659 . . . . 38.18 112.107 -173.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -95.12 148.26 22.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 38.710000000000001 109.795 172.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -128.91 132.25 47.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 42.920000000000002 110.314 171.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -119.42 133.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.408 -0.59 . . . . 42.229999999999997 109.408 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 m -120.39 124.81 46.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.863 -0.608 . . . . 52.789999999999999 111.07 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -80.07 142.61 34.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 65.969999999999999 110.274 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 51.979999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.555 ' O ' ' OE1' ' A' ' 19' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.689 0.281 . . . . 48.079999999999998 110.68 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.2 m -86.89 117.42 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 46.380000000000003 110.904 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.47 150.33 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 42.939999999999998 109.771 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.1 144.49 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 71.519999999999996 111.694 -176.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -120.99 129.52 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.088 -0.505 . . . . 40.259999999999998 110.436 174.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -106.39 125.64 62.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.945 -0.761 . . . . 55.990000000000002 108.945 174.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -100.86 128.23 46.98 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.793 -0.64 . . . . 55.399999999999999 109.578 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -130.67 80.11 1.93 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.018 -1.073 . . . . 83.319999999999993 109.648 168.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.35 172.57 24.29 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.269 -0.878 . . . . 66.969999999999999 111.655 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.6 -43.34 97.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 92.75 111.316 -175.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.7 p -102.68 -23.11 13.85 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.263 0.468 . . . . 88.799999999999997 112.263 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.41 132.62 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.795 1.035 . . . . 74.209999999999994 113.795 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -131.34 123.81 29.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 83.969999999999999 110.011 171.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.16 -172.55 30.78 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 116.417 1.327 . . . . 62.350000000000001 116.417 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.24 132.68 25.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 114.481 -0.859 . . . . 83.25 108.943 -174.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -142.86 156.67 44.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.241 -0.584 . . . . 49.43 110.703 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 p -126.61 163.52 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 48.32 112.213 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -150.72 148.16 28.22 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.417 -0.957 . . . . 42.960000000000001 108.417 178.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' OE1' ' O ' ' A' ' 201' ' ' HOH . 26.8 tp10 -96.11 114.3 25.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.569 -0.9 . . . . 51.020000000000003 108.569 173.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.71 147.82 47.12 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.418 0.628 . . . . 43.780000000000001 112.075 -175.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -126.7 178.69 5.76 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 113.864 1.061 . . . . 51.590000000000003 113.864 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.7 83.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.603 -0.726 . . . . 39.039999999999999 112.177 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -51.71 -55.81 17.39 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.124 0.787 . . . . 46.579999999999998 113.124 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.55 96.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.564 -0.289 . . . . 38.759999999999998 111.712 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -65.77 -52.0 54.56 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.919 0.34 . . . . 45.18 111.919 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -53.54 -58.77 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 115.432 1.642 . . . . 48.119999999999997 115.432 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -73.59 -51.37 17.08 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.407 0.891 . . . . 45.57 113.407 -169.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.12 -38.04 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 117.843 2.534 . . . . 72.920000000000002 117.843 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -71.04 -43.59 67.56 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.192 -1.003 . . . . 56.149999999999999 111.198 -174.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.49 -34.66 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.976 0.417 . . . . 55.939999999999998 110.445 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.34 -28.12 51.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 113.01 0.745 . . . . 69.75 113.01 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -113.96 18.87 16.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.883 0.697 . . . . 59.909999999999997 112.883 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.36 37.86 92.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 114.624 0.609 . . . . 53.740000000000002 114.624 171.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -128.17 124.09 61.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 59.93 111.161 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 169.89 7.21 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 115.004 0.762 . . . . 53.07 115.004 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.77 128.1 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 122.894 0.477 . . . . 86.920000000000002 109.844 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -112.7 138.51 49.39 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 114.609 1.337 . . . . 46.210000000000001 114.609 -171.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -135.25 155.96 49.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 42.579999999999998 110.016 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -125.45 148.9 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 40.509999999999998 110.522 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.84 102.58 7.36 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.113 0.483 . . . . 46.079999999999998 110.763 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -56.6 -35.71 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.491 -0.777 . . . . 54.630000000000003 113.01 -176.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.42 77.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.997 0.427 . . . . 41.57 112.151 -175.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -115.11 3.22 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.107 -0.497 . . . . 46.890000000000001 111.784 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 52.45 44.65 29.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.94 0.4 . . . . 42.590000000000003 110.342 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -122.57 128.83 51.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.751 -0.659 . . . . 38.18 112.107 -173.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -95.12 148.26 22.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 38.710000000000001 109.795 172.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -128.91 132.25 47.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 42.920000000000002 110.314 171.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -119.42 133.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.408 -0.59 . . . . 42.229999999999997 109.408 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 m -120.39 124.81 46.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.863 -0.608 . . . . 52.789999999999999 111.07 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -80.07 142.61 34.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 65.969999999999999 110.274 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 51.979999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.555 ' O ' ' OE1' ' A' ' 19' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 120.689 0.281 . . . . 48.079999999999998 110.68 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.2 m -86.89 117.42 25.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 46.380000000000003 110.904 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -109.47 150.33 28.27 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.771 -0.455 . . . . 42.939999999999998 109.771 176.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -122.1 144.49 48.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 71.519999999999996 111.694 -176.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.0 tp -120.99 129.52 53.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.088 -0.505 . . . . 40.259999999999998 110.436 174.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 97.6 mt -106.39 125.64 62.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 108.945 -0.761 . . . . 55.990000000000002 108.945 174.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -100.86 128.23 46.98 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-N 115.793 -0.64 . . . . 55.399999999999999 109.578 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -130.67 80.11 1.93 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 119.018 -1.073 . . . . 83.319999999999993 109.648 168.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.35 172.57 24.29 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.269 -0.878 . . . . 66.969999999999999 111.655 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.0 mttt -63.6 -43.34 97.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 92.75 111.316 -175.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.7 p -102.68 -23.11 13.85 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.263 0.468 . . . . 88.799999999999997 112.263 -178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.6 tp -125.41 132.62 52.72 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 113.795 1.035 . . . . 74.209999999999994 113.795 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -131.34 123.81 29.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 83.969999999999999 110.011 171.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.16 -172.55 30.78 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 116.417 1.327 . . . . 62.350000000000001 116.417 -176.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -142.24 132.68 25.1 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 114.481 -0.859 . . . . 83.25 108.943 -174.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 t -142.86 156.67 44.97 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.241 -0.584 . . . . 49.43 110.703 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.4 p -126.61 163.52 23.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.184 0.516 . . . . 48.32 112.213 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.5 t -150.72 148.16 28.22 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 108.417 -0.957 . . . . 42.960000000000001 108.417 178.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.555 ' OE1' ' O ' ' A' ' 201' ' ' HOH . 26.8 tp10 -96.11 114.3 25.99 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.569 -0.9 . . . . 51.020000000000003 108.569 173.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -123.71 147.82 47.12 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.418 0.628 . . . . 43.780000000000001 112.075 -175.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -126.7 178.69 5.76 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 113.864 1.061 . . . . 51.590000000000003 113.864 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.7 83.87 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.603 -0.726 . . . . 39.039999999999999 112.177 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 34.5 m -51.71 -55.81 17.39 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.124 0.787 . . . . 46.579999999999998 113.124 179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.55 96.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.564 -0.289 . . . . 38.759999999999998 111.712 -177.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -65.77 -52.0 54.56 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 111.919 0.34 . . . . 45.18 111.919 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -53.54 -58.77 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 115.432 1.642 . . . . 48.119999999999997 115.432 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.6 m-30 -73.59 -51.37 17.08 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.407 0.891 . . . . 45.57 113.407 -169.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' B3K . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -59.12 -38.04 78.67 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 117.843 2.534 . . . . 72.920000000000002 117.843 -179.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -71.04 -43.59 67.56 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 119.192 -1.003 . . . . 56.149999999999999 111.198 -174.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.49 -34.66 65.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.976 0.417 . . . . 55.939999999999998 110.445 179.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -55.34 -28.12 51.69 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 113.01 0.745 . . . . 69.75 113.01 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -113.96 18.87 16.98 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.883 0.697 . . . . 59.909999999999997 112.883 -177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 59.36 37.86 92.57 Favored Glycine 0 N--CA 1.452 -0.294 0 N-CA-C 114.624 0.609 . . . . 53.740000000000002 114.624 171.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 78.7 t -128.17 124.09 61.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.014 0.435 . . . . 59.93 111.161 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' XCP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 169.89 7.21 Favored Glycine 0 N--CA 1.449 -0.445 0 N-CA-C 115.004 0.762 . . . . 53.07 115.004 179.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -98.77 128.1 44.9 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 122.894 0.477 . . . . 86.920000000000002 109.844 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.3 m95 -112.7 138.51 49.39 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 114.609 1.337 . . . . 46.210000000000001 114.609 -171.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.7 p -135.25 155.96 49.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 42.579999999999998 110.016 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -125.45 148.9 48.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.889 0.376 . . . . 40.509999999999998 110.522 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -125.84 102.58 7.36 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-O 121.113 0.483 . . . . 46.079999999999998 110.763 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -56.6 -35.71 68.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.491 -0.777 . . . . 54.630000000000003 113.01 -176.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -61.37 -35.42 77.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.997 0.427 . . . . 41.57 112.151 -175.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.8 p -115.11 3.22 14.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.107 -0.497 . . . . 46.890000000000001 111.784 -176.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.4 mttp 52.45 44.65 29.71 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.94 0.4 . . . . 42.590000000000003 110.342 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 78.3 m -122.57 128.83 51.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.751 -0.659 . . . . 38.18 112.107 -173.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -95.12 148.26 22.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.906 -0.588 . . . . 38.710000000000001 109.795 172.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.0 m -128.91 132.25 47.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.378 . . . . 42.920000000000002 110.314 171.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 5.5 p -119.42 133.74 65.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.408 -0.59 . . . . 42.229999999999997 109.408 173.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.4 m -120.39 124.81 46.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.863 -0.608 . . . . 52.789999999999999 111.07 179.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 -80.07 142.61 34.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 65.969999999999999 110.274 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 51.979999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.555 ' O ' ' OE1' ' A' ' 19' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_