data_6shw_residue ############################ # Computer software used # ############################ 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 6shw _Structure_validation_residue.Date_analyzed 2020-11-20 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 ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 pt . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 117.266 2.321 . . . . 84.66 117.266 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.64 138.33 69.16 Favored 'Trans proline' 0 C--N 1.343 0.288 0 CA-C-N 119.996 1.034 . . . . 61.26 112.107 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -82.83 170.09 15.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.937 0.875 . . . . 47.52 110.725 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -62.43 -38.2 88.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.313 -0.858 . . . . 57.96 111.271 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -64.21 -38.33 90.66 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.58 -0.448 . . . . 67.66 111.112 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -69.27 -39.39 78.41 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.489 -0.484 . . . . 63.67 111.273 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -63.49 -45.91 88.58 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.089 -0.644 . . . . 52.54 111.081 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.48 -42.69 94.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 120.849 0.357 . . . . 50.81 110.635 178.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.65 83.61 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.751 -0.593 . . . . 33.17 111.307 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.9 m -64.65 -41.75 95.9 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 122.356 -0.215 . . . . 37.75 111.264 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.12 -40.59 87.51 Favored 'Isoleucine or valine' 1 C--O 1.151 -4.099 0 CA-C-O 117.761 -1.114 . . . . 32.47 109.091 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.5 -48.23 81.49 Favored 'General case' 0 C--O 1.165 -3.395 0 O-C-N 124.32 1.012 . . . . 51.33 109.066 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -61.81 -38.21 87.28 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.297 0.373 . . . . 38.43 111.579 178.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.24 -42.22 84.34 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-O 118.304 -0.855 . . . . 40.66 110.045 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.45 -38.23 90.36 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 123.796 0.685 . . . . 37.7 111.404 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.86 -35.96 82.12 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.381 -0.819 . . . . 40.59 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -81.13 -18.95 44.67 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-O 117.605 -1.188 . . . . 70.38 111.271 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -131.21 82.95 2.07 Favored 'General case' 0 C--O 1.18 -2.595 0 O-C-N 123.953 0.783 . . . . 47.29 109.982 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -60.93 -33.08 72.61 Favored 'General case' 0 C--O 1.175 -2.867 0 CA-C-O 116.914 -1.517 . . . . 52.63 112.665 -176.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.76 -48.66 74.88 Favored 'General case' 0 C--O 1.184 -2.356 0 O-C-N 124.636 1.21 . . . . 65.96 108.574 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.56 -45.67 93.06 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 125.351 1.657 . . . . 33.94 111.223 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.16 -46.16 86.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.704 -0.398 . . . . 48.4 111.214 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.09 -39.67 86.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.827 -0.349 . . . . 53.71 111.642 -177.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.71 83.28 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.198 -0.601 . . . . 32.84 111.513 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.6 mtp -63.97 -46.46 84.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.978 -0.289 . . . . 38.19 110.972 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.46 -44.14 96.16 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.089 -0.644 . . . . 39.73 111.096 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -58.01 -45.66 86.53 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.753 -0.379 . . . . 44.63 111.251 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.58 -46.7 75.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.17 -0.612 . . . . 38.92 111.337 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.28 -52.17 61.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.002 0.429 . . . . 44.91 110.711 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.4 p -66.5 -20.96 66.17 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.89 0.7 . . . . 53.96 112.89 -174.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -98.86 18.7 16.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.528 0.603 . . . . 83.25 112.501 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.05 80.26 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 116.032 1.173 . . . . 50.83 116.032 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -107.09 22.22 16.33 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.567 1.184 . . . . 92.39 112.558 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.54 -30.74 78.71 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.476 -0.869 . . . . 36.3 113.872 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -65.93 -40.0 91.02 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.838 -0.745 . . . . 61.75 110.896 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.0 p -64.53 -34.75 78.97 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.914 -0.715 . . . . 52.35 111.201 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.03 -47.22 81.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.348 -0.541 . . . . 34.28 111.27 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.05 -51.43 69.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.005 0.431 . . . . 37.77 110.421 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.05 -41.98 97.63 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.659 -0.416 . . . . 48.95 111.189 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.7 ttp -69.14 -40.9 77.97 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 111.809 0.3 . . . . 52.67 111.809 -175.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.01 -39.39 50.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.334 -0.547 . . . . 29.74 110.667 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 t -61.53 -46.44 96.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 121.839 -0.538 . . . . 33.91 110.404 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.31 -44.33 95.55 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.769 -0.582 . . . . 55.35 111.355 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.6 t -60.26 -44.76 95.01 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.318 -0.553 . . . . 46.63 111.438 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.88 75.79 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.222 -0.591 . . . . 39.77 111.924 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.94 -19.94 61.83 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 112.414 0.524 . . . . 45.02 112.414 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -96.05 21.39 8.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.499 0.555 . . . . 66.0 112.499 -178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 80.69 110.437 179.633 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 pt . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 117.266 2.321 . . . . 84.66 117.266 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.64 138.33 69.16 Favored 'Trans proline' 0 C--N 1.343 0.288 0 CA-C-N 119.996 1.034 . . . . 61.26 112.107 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -82.83 170.09 15.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.937 0.875 . . . . 47.52 110.725 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -62.43 -38.2 88.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.313 -0.858 . . . . 57.96 111.271 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -64.21 -38.33 90.66 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.58 -0.448 . . . . 67.66 111.112 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -69.27 -39.39 78.41 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.489 -0.484 . . . . 63.67 111.273 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -63.49 -45.91 88.58 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.089 -0.644 . . . . 52.54 111.081 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.48 -42.69 94.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 120.849 0.357 . . . . 50.81 110.635 178.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.65 83.61 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.751 -0.593 . . . . 33.17 111.307 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.9 m -64.65 -41.75 95.9 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 122.356 -0.215 . . . . 37.75 111.264 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.12 -40.59 87.51 Favored 'Isoleucine or valine' 1 C--O 1.151 -4.099 0 CA-C-O 117.761 -1.114 . . . . 32.47 109.091 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.5 -48.23 81.49 Favored 'General case' 0 C--O 1.165 -3.395 0 O-C-N 124.32 1.012 . . . . 51.33 109.066 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' OE2' ' HA ' ' A' ' 55' ' ' GLU . 17.7 tp10 -61.81 -38.21 87.28 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.297 0.373 . . . . 38.43 111.579 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.24 -42.22 84.34 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-O 118.304 -0.855 . . . . 40.66 110.045 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.45 -38.23 90.36 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 123.796 0.685 . . . . 37.7 111.404 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.86 -35.96 82.12 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.381 -0.819 . . . . 40.59 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -81.13 -18.95 44.67 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-O 117.605 -1.188 . . . . 70.38 111.271 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -131.21 82.95 2.07 Favored 'General case' 0 C--O 1.18 -2.595 0 O-C-N 123.953 0.783 . . . . 47.29 109.982 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -60.93 -33.08 72.61 Favored 'General case' 0 C--O 1.175 -2.867 0 CA-C-O 116.914 -1.517 . . . . 52.63 112.665 -176.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.76 -48.66 74.88 Favored 'General case' 0 C--O 1.184 -2.356 0 O-C-N 124.636 1.21 . . . . 65.96 108.574 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.56 -45.67 93.06 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 125.351 1.657 . . . . 33.94 111.223 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.16 -46.16 86.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.704 -0.398 . . . . 48.4 111.214 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.09 -39.67 86.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.827 -0.349 . . . . 53.71 111.642 -177.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.71 83.28 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.198 -0.601 . . . . 32.84 111.513 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.6 mtp -63.97 -46.46 84.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.978 -0.289 . . . . 38.19 110.972 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.46 -44.14 96.16 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.089 -0.644 . . . . 39.73 111.096 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -58.01 -45.66 86.53 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.753 -0.379 . . . . 44.63 111.251 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.58 -46.7 75.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.17 -0.612 . . . . 38.92 111.337 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.28 -52.17 61.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.002 0.429 . . . . 44.91 110.711 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.4 p -66.5 -20.96 66.17 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.89 0.7 . . . . 53.96 112.89 -174.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -98.86 18.7 16.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.528 0.603 . . . . 83.25 112.501 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.05 80.26 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 116.032 1.173 . . . . 50.83 116.032 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -107.09 22.22 16.33 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.567 1.184 . . . . 92.39 112.558 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.54 -30.74 78.71 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.476 -0.869 . . . . 36.3 113.872 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -65.93 -40.0 91.02 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.838 -0.745 . . . . 61.75 110.896 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.0 p -64.53 -34.75 78.97 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.914 -0.715 . . . . 52.35 111.201 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.03 -47.22 81.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.348 -0.541 . . . . 34.28 111.27 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.05 -51.43 69.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.005 0.431 . . . . 37.77 110.421 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.05 -41.98 97.63 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.659 -0.416 . . . . 48.95 111.189 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.7 ttp -69.14 -40.9 77.97 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 111.809 0.3 . . . . 52.67 111.809 -175.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.01 -39.39 50.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.334 -0.547 . . . . 29.74 110.667 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 t -61.53 -46.44 96.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 121.839 -0.538 . . . . 33.91 110.404 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.31 -44.33 95.55 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.769 -0.582 . . . . 55.35 111.355 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.6 t -60.26 -44.76 95.01 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.318 -0.553 . . . . 46.63 111.438 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.88 75.79 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.222 -0.591 . . . . 39.77 111.924 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.94 -19.94 61.83 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 112.414 0.524 . . . . 45.02 112.414 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -96.05 21.39 8.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.499 0.555 . . . . 66.0 112.499 -178.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 80.69 110.437 179.633 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.5 pt . . . . . 0 CA--C 1.549 0.905 0 N-CA-C 117.266 2.321 . . . . 84.659999999999997 117.266 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.64 138.33 69.16 Favored 'Trans proline' 0 C--N 1.343 0.288 0 CA-C-N 119.996 1.034 . . . . 61.259999999999998 112.107 -173.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.7 p -82.83 170.09 15.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.937 0.875 . . . . 47.520000000000003 110.725 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.3 t -62.43 -38.2 88.79 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.313 -0.858 . . . . 57.960000000000001 111.271 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -64.21 -38.33 90.66 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.58 -0.448 . . . . 67.659999999999997 111.112 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -69.27 -39.39 78.41 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 120.489 -0.484 . . . . 63.670000000000002 111.273 177.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -63.49 -45.91 88.58 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 120.089 -0.644 . . . . 52.539999999999999 111.081 177.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 8.8 mm -61.48 -42.69 94.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 CA-C-O 120.849 0.357 . . . . 50.810000000000002 110.635 178.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.21 -36.65 83.61 Favored 'General case' 0 C--O 1.237 0.439 0 O-C-N 121.751 -0.593 . . . . 33.170000000000002 111.307 -178.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.9 m -64.65 -41.75 95.9 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 122.356 -0.215 . . . . 37.75 111.264 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 83.2 mt -66.12 -40.59 87.51 Favored 'Isoleucine or valine' 1 C--O 1.151 -4.099 0 CA-C-O 117.761 -1.114 . . . . 32.469999999999999 109.091 178.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -58.5 -48.23 81.49 Favored 'General case' 0 C--O 1.165 -3.395 0 O-C-N 124.32 1.012 . . . . 51.329999999999998 109.066 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' OE2' ' HA ' ' A' ' 55' ' ' GLU . 17.7 tp10 -61.81 -38.21 87.28 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 123.297 0.373 . . . . 38.43 111.579 178.445 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -67.24 -42.22 84.34 Favored 'General case' 0 C--O 1.177 -2.735 0 CA-C-O 118.304 -0.855 . . . . 40.659999999999997 110.045 -179.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -63.45 -38.23 90.36 Favored 'General case' 0 C--N 1.315 -0.914 0 O-C-N 123.796 0.685 . . . . 37.700000000000003 111.404 -179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.2 mt -65.86 -35.96 82.12 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 118.381 -0.819 . . . . 40.590000000000003 109.271 179.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -81.13 -18.95 44.67 Favored 'General case' 0 C--O 1.186 -2.251 0 CA-C-O 117.605 -1.188 . . . . 70.379999999999995 111.271 -179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -131.21 82.95 2.07 Favored 'General case' 0 C--O 1.18 -2.595 0 O-C-N 123.953 0.783 . . . . 47.289999999999999 109.982 -179.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -60.93 -33.08 72.61 Favored 'General case' 0 C--O 1.175 -2.867 0 CA-C-O 116.914 -1.517 . . . . 52.630000000000003 112.665 -176.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -55.76 -48.66 74.88 Favored 'General case' 0 C--O 1.184 -2.356 0 O-C-N 124.636 1.21 . . . . 65.959999999999994 108.574 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.56 -45.67 93.06 Favored 'General case' 0 C--N 1.318 -0.8 0 O-C-N 125.351 1.657 . . . . 33.939999999999998 111.223 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.16 -46.16 86.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.704 -0.398 . . . . 48.399999999999999 111.214 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -67.09 -39.67 86.79 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.827 -0.349 . . . . 53.710000000000001 111.642 -177.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.71 83.28 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.198 -0.601 . . . . 32.840000000000003 111.513 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 78.6 mtp -63.97 -46.46 84.53 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.978 -0.289 . . . . 38.189999999999998 110.972 178.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -60.46 -44.14 96.16 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 120.089 -0.644 . . . . 39.729999999999997 111.096 178.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 28.5 t -58.01 -45.66 86.53 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.753 -0.379 . . . . 44.630000000000003 111.251 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.9 mt -66.58 -46.7 75.13 Favored 'General case' 0 C--O 1.235 0.304 0 C-N-CA 120.17 -0.612 . . . . 38.920000000000002 111.337 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.1 mt -63.28 -52.17 61.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 121.002 0.429 . . . . 44.909999999999997 110.711 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 82.4 p -66.5 -20.96 66.17 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 112.89 0.7 . . . . 53.960000000000001 112.89 -174.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -98.86 18.7 16.46 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.528 0.603 . . . . 83.25 112.501 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.07 17.05 80.26 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 116.032 1.173 . . . . 50.829999999999998 116.032 172.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -107.09 22.22 16.33 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 118.567 1.184 . . . . 92.390000000000001 112.558 179.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.54 -30.74 78.71 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 120.476 -0.869 . . . . 36.299999999999997 113.872 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -65.93 -40.0 91.02 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.838 -0.745 . . . . 61.75 110.896 178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 59.0 p -64.53 -34.75 78.97 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 119.914 -0.715 . . . . 52.350000000000001 111.201 173.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 37.1 tp -64.03 -47.22 81.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.348 -0.541 . . . . 34.280000000000001 111.27 176.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.9 mt -57.05 -51.43 69.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 121.005 0.431 . . . . 37.770000000000003 110.421 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -61.05 -41.98 97.63 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.659 -0.416 . . . . 48.950000000000003 111.189 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 25.7 ttp -69.14 -40.9 77.97 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 111.809 0.3 . . . . 52.670000000000002 111.809 -175.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.4 t -74.01 -39.39 50.96 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 120.334 -0.547 . . . . 29.739999999999998 110.667 -178.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.0 t -61.53 -46.44 96.55 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 O-C-N 121.839 -0.538 . . . . 33.909999999999997 110.404 178.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -60.31 -44.33 95.55 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.769 -0.582 . . . . 55.350000000000001 111.355 179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.6 t -60.26 -44.76 95.01 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.318 -0.553 . . . . 46.630000000000003 111.438 178.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.69 -33.88 75.79 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.222 -0.591 . . . . 39.770000000000003 111.924 -178.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 85.5 mt -71.94 -19.94 61.83 Favored 'General case' 0 C--O 1.238 0.455 0 N-CA-C 112.414 0.524 . . . . 45.020000000000003 112.414 179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -96.05 21.39 8.83 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 112.499 0.555 . . . . 66.0 112.499 -178.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.846 0.355 . . . . 80.689999999999998 110.437 179.633 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 501' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 502' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 503' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 504' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 505' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 506' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 507' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 508' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 509' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 510' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 511' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 512' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 513' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 514' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 515' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 516' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 517' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 518' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 519' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 520' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 521' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 522' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_