data_6ovu_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 6ovu _Structure_validation_residue.Date_analyzed 2020-04-24 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 34.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . 0.802 ' OE2' ' O ' ' A' ' 102' ' ' HOH . 8.7 pt-20 -64.08 -35.73 81.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 122.671 0.388 . . . . 42.08 111.486 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.4 -45.33 69.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 120.033 -0.667 . . . . 35.45 110.37 -172.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . 0.554 ' OE1' ' NZ ' ' B' ' 18' ' ' LYS . 2.1 tt0 -65.44 -36.16 83.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.153 -0.619 . . . . 48.32 111.468 175.999 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.95 75.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.381 -0.528 . . . . 34.32 110.596 170.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.2 -41.84 99.23 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.011 -0.676 . . . . 33.82 111.328 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . 0.657 ' OE2' ' O ' ' A' ' 103' ' ' HOH . 95.5 mt-10 -62.56 -40.3 96.38 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.213 -0.595 . . . . 34.61 111.404 -176.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -61.77 -48.73 79.37 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.72 0.295 . . . . 42.55 110.972 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -64.19 -39.77 94.69 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 120.14 -0.624 . . . . 42.35 111.464 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.41 -41.64 92.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 119.434 -0.906 . . . . 29.91 110.098 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -66.18 -37.82 86.54 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.098 -1.041 . . . . 43.11 110.914 178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.86 99.15 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.11 -0.636 . . . . 27.55 111.008 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.68 -36.94 84.5 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 119.962 -0.695 . . . . 26.58 111.356 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -64.82 -41.66 95.59 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 121.727 -0.608 . . . . 32.94 111.947 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' F2F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.05 -37.17 78.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.325 -1.307 . . . . 28.05 110.883 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 t -72.74 -37.7 56.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 C-N-CA 119.28 -0.968 . . . . 20.61 110.556 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.65 -38.5 89.53 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 118.184 -1.407 . . . . 34.56 110.95 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -62.26 -42.63 99.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.043 -1.063 . . . . 51.49 111.177 175.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.69 -42.43 99.63 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.402 -0.519 . . . . 22.36 110.821 179.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -58.81 -42.39 89.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.596 -0.842 . . . . 22.47 111.65 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -64.11 -45.87 86.67 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.011 0.434 . . . . 32.89 111.236 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.58 -43.16 97.8 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.364 -0.534 . . . . 37.51 111.353 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.28 -37.87 76.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.526 -0.47 . . . . 22.81 110.68 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.97 -37.01 75.8 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 118.693 -1.203 . . . . 28.01 110.754 174.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.05 78.95 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.12 -1.032 . . . . 26.94 111.137 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.88 -41.87 95.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.85 -0.74 . . . . 27.1 110.77 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 6.2 mt-10 -65.11 -35.7 81.96 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.415 -0.514 . . . . 45.3 112.257 178.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -90.54 -5.88 55.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 112.713 0.634 . . . . 29.25 112.713 -174.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.02 29.58 71.28 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-O 119.502 -0.61 . . . . 34.64 113.893 -171.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -61.97 141.89 57.78 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.149 0.975 . . . . 36.91 109.89 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 114.633 1.345 . . . . 42.73 114.633 166.836 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 34.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.01 -24.09 62.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.505 -0.747 . . . . 39.29 110.085 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 37.5 t -75.81 -45.35 38.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 119.858 -0.737 . . . . 32.36 110.407 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -64.88 -33.95 77.24 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.193 -0.603 . . . . 49.76 112.003 174.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.24 80.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.175 -0.61 . . . . 35.25 110.67 170.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.48 -46.43 88.83 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.392 -0.523 . . . . 35.86 111.213 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.21 -38.54 73.87 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.901 -0.72 . . . . 37.69 111.517 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -67.93 -43.77 78.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 122.238 -0.288 . . . . 45.63 111.193 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -66.49 -38.54 87.5 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 116.676 -0.238 . . . . 55.79 111.22 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.1 -43.38 97.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 119.455 -0.898 . . . . 29.49 110.434 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . 0.73 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 8.7 tp10 -68.18 -37.28 80.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.42 -1.312 . . . . 44.19 110.69 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.66 79.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.216 -0.593 . . . . 27.4 111.412 172.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.72 -38.5 76.93 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 120.606 -0.438 . . . . 27.41 111.542 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.17 -41.57 99.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 112.857 0.688 . . . . 31.26 112.857 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' F2F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.72 -34.05 69.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.254 -1.529 . . . . 31.91 111.566 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.04 -37.97 41.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 119.623 -0.831 . . . . 20.3 110.717 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . 0.838 ' NE2' ' O ' ' B' ' 102' ' ' HOH . 8.2 tt0 -62.53 -39.43 93.55 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 118.738 -1.185 . . . . 34.47 110.903 175.083 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . 0.554 ' NZ ' ' OE1' ' A' ' 3' ' ' GLU . 9.4 tppt? -66.74 -37.95 85.68 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.401 -0.92 . . . . 36.26 111.634 177.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.65 -42.48 95.39 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.099 -0.64 . . . . 22.4 111.61 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -58.66 -46.12 87.86 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.553 -0.859 . . . . 23.65 111.308 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -58.21 -47.96 81.86 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 122.054 -0.404 . . . . 32.48 111.991 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.47 -44.13 92.04 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.702 -0.799 . . . . 36.39 111.353 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.65 -36.06 76.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 121.946 -0.471 . . . . 22.1 110.795 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.65 -35.55 81.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.771 -1.172 . . . . 29.85 110.617 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.92 92.3 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.417 -0.513 . . . . 26.64 111.177 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 16.6 mt -65.58 -43.4 89.87 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.635 -0.426 . . . . 27.97 111.436 178.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -66.73 -35.11 79.35 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.695 -0.802 . . . . 41.7 112.456 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -90.51 -3.29 57.72 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.736 0.643 . . . . 32.26 112.736 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.88 35.34 82.35 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 120.995 -0.621 . . . . 32.4 114.016 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -65.35 139.58 58.59 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 117.591 0.695 . . . . 37.14 109.913 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 60.38 36.92 20.34 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.313 0.645 . . . . 44.61 112.466 168.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.24 -17.13 56.26 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 115.594 0.998 . . . . 51.37 115.594 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 67.4 mtt85 . . . . . 0 N--CA 1.467 0.402 0 CA-C-N 118.756 1.278 . . . . 50.7 111.676 177.743 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.871 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.802 ' O ' ' OE2' ' A' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . 0.657 ' O ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.73 ' O ' ' OE2' ' B' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.838 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 34.44 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . 0.802 ' OE2' ' O ' ' A' ' 102' ' ' HOH . 8.7 pt-20 -64.08 -35.73 81.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 122.671 0.388 . . . . 42.08 111.486 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.4 -45.33 69.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 120.033 -0.667 . . . . 35.45 110.37 -172.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.44 -36.16 83.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.153 -0.619 . . . . 48.32 111.468 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.95 75.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.381 -0.528 . . . . 34.32 110.596 170.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.2 -41.84 99.23 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.011 -0.676 . . . . 33.82 111.328 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.657 ' OE2' ' O ' ' A' ' 103' ' ' HOH . 95.5 mt-10 -62.56 -40.3 96.38 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.213 -0.595 . . . . 34.61 111.404 -176.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -61.77 -48.73 79.37 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.72 0.295 . . . . 42.55 110.972 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -64.19 -39.77 94.69 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 120.14 -0.624 . . . . 42.35 111.464 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.41 -41.64 92.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 119.434 -0.906 . . . . 29.91 110.098 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' HD2' ' B' ' 14' ' ' F2F . 77.1 mm-40 -66.18 -37.82 86.54 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.098 -1.041 . . . . 43.11 110.914 178.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.86 99.15 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.11 -0.636 . . . . 27.55 111.008 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.68 -36.94 84.5 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 119.962 -0.695 . . . . 26.58 111.356 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -64.82 -41.66 95.59 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 121.727 -0.608 . . . . 32.94 111.947 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' F2F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.05 -37.17 78.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.325 -1.307 . . . . 28.05 110.883 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 t -72.74 -37.7 56.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 C-N-CA 119.28 -0.968 . . . . 20.61 110.556 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.65 -38.5 89.53 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 118.184 -1.407 . . . . 34.56 110.95 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HE3' ' OE1' ' B' ' 3' ' ' GLU . 6.3 tptp -62.26 -42.63 99.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.043 -1.063 . . . . 51.49 111.177 175.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.69 -42.43 99.63 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.402 -0.519 . . . . 22.36 110.821 179.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -58.81 -42.39 89.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.596 -0.842 . . . . 22.47 111.65 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -64.11 -45.87 86.67 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.011 0.434 . . . . 32.89 111.236 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.58 -43.16 97.8 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.364 -0.534 . . . . 37.51 111.353 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.28 -37.87 76.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.526 -0.47 . . . . 22.81 110.68 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.97 -37.01 75.8 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 118.693 -1.203 . . . . 28.01 110.754 174.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.05 78.95 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.12 -1.032 . . . . 26.94 111.137 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.88 -41.87 95.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.85 -0.74 . . . . 27.1 110.77 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 6.2 mt-10 -65.11 -35.7 81.96 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.415 -0.514 . . . . 45.3 112.257 178.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -90.54 -5.88 55.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 112.713 0.634 . . . . 29.25 112.713 -174.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.02 29.58 71.28 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-O 119.502 -0.61 . . . . 34.64 113.893 -171.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -61.97 141.89 57.78 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.149 0.975 . . . . 36.91 109.89 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 114.633 1.345 . . . . 42.73 114.633 166.836 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 34.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.01 -24.09 62.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.505 -0.747 . . . . 39.29 110.085 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 37.5 t -75.81 -45.35 38.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 119.858 -0.737 . . . . 32.36 110.407 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . 0.509 ' OE1' ' HE3' ' A' ' 18' ' ' LYS . 8.2 tt0 -64.88 -33.95 77.24 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.193 -0.603 . . . . 49.76 112.003 174.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.24 80.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.175 -0.61 . . . . 35.25 110.67 170.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.48 -46.43 88.83 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.392 -0.523 . . . . 35.86 111.213 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.21 -38.54 73.87 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.901 -0.72 . . . . 37.69 111.517 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -67.93 -43.77 78.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 122.238 -0.288 . . . . 45.63 111.193 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -66.49 -38.54 87.5 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 116.676 -0.238 . . . . 55.79 111.22 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.1 -43.38 97.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 119.455 -0.898 . . . . 29.49 110.434 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.73 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 8.7 tp10 -68.18 -37.28 80.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.42 -1.312 . . . . 44.19 110.69 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.66 79.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.216 -0.593 . . . . 27.4 111.412 172.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.72 -38.5 76.93 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 120.606 -0.438 . . . . 27.41 111.542 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.17 -41.57 99.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 112.857 0.688 . . . . 31.26 112.857 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' F2F . . . . . 0.411 ' HD2' ' HG3' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.72 -34.05 69.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.254 -1.529 . . . . 31.91 111.566 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.04 -37.97 41.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 119.623 -0.831 . . . . 20.3 110.717 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . 0.735 ' NE2' ' O ' ' B' ' 102' ' ' HOH . 8.2 tt0 -62.53 -39.43 93.55 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 118.738 -1.185 . . . . 34.47 110.903 175.083 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -66.74 -37.95 85.68 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.401 -0.92 . . . . 36.26 111.634 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.65 -42.48 95.39 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.099 -0.64 . . . . 22.4 111.61 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -58.66 -46.12 87.86 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.553 -0.859 . . . . 23.65 111.308 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -58.21 -47.96 81.86 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 122.054 -0.404 . . . . 32.48 111.991 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.47 -44.13 92.04 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.702 -0.799 . . . . 36.39 111.353 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.65 -36.06 76.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 121.946 -0.471 . . . . 22.1 110.795 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.65 -35.55 81.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.771 -1.172 . . . . 29.85 110.617 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.92 92.3 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.417 -0.513 . . . . 26.64 111.177 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . 0.499 HD23 ' HD3' ' B' ' 33' ' ' ARG . 16.6 mt -65.58 -43.4 89.87 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.635 -0.426 . . . . 27.97 111.436 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -66.73 -35.11 79.35 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.695 -0.802 . . . . 41.7 112.456 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -90.51 -3.29 57.72 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.736 0.643 . . . . 32.26 112.736 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.88 35.34 82.35 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 120.995 -0.621 . . . . 32.4 114.016 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -65.35 139.58 58.59 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 117.591 0.695 . . . . 37.14 109.913 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 60.38 36.92 20.34 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.313 0.645 . . . . 44.61 112.466 168.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.24 -17.13 56.26 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 115.594 0.998 . . . . 51.37 115.594 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . 0.499 ' HD3' HD23 ' B' ' 26' ' ' LEU . 67.4 mtt85 . . . . . 0 N--CA 1.467 0.402 0 CA-C-N 118.756 1.278 . . . . 50.7 111.676 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.871 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . 0.802 ' O ' ' OE2' ' A' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . 0.657 ' O ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.73 ' O ' ' OE2' ' B' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.735 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 34.439999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . 0.802 ' OE2' ' O ' ' A' ' 102' ' ' HOH . 8.7 pt-20 -64.08 -35.73 81.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 C-N-CA 122.671 0.388 . . . . 42.079999999999998 111.486 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 55.4 t -71.4 -45.33 69.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 120.033 -0.667 . . . . 35.450000000000003 110.37 -172.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -65.44 -36.16 83.08 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.153 -0.619 . . . . 48.32 111.468 175.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.17 -46.95 75.78 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.381 -0.528 . . . . 34.32 110.596 170.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.2 -41.84 99.23 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.011 -0.676 . . . . 33.82 111.328 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.657 ' OE2' ' O ' ' A' ' 103' ' ' HOH . 95.5 mt-10 -62.56 -40.3 96.38 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.213 -0.595 . . . . 34.609999999999999 111.404 -176.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -61.77 -48.73 79.37 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-O 120.72 0.295 . . . . 42.549999999999997 110.972 176.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -64.19 -39.77 94.69 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 120.14 -0.624 . . . . 42.350000000000001 111.464 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.41 -41.64 92.94 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 C-N-CA 119.434 -0.906 . . . . 29.91 110.098 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' HD2' ' B' ' 14' ' ' F2F . 77.1 mm-40 -66.18 -37.82 86.54 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.098 -1.041 . . . . 43.109999999999999 110.914 178.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.28 -42.86 99.15 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.11 -0.636 . . . . 27.550000000000001 111.008 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 36.6 mt -62.68 -36.94 84.5 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 119.962 -0.695 . . . . 26.579999999999998 111.356 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -64.82 -41.66 95.59 Favored 'General case' 0 CA--C 1.512 -0.517 0 O-C-N 121.727 -0.608 . . . . 32.939999999999998 111.947 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' F2F . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -69.05 -37.17 78.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.325 -1.307 . . . . 28.050000000000001 110.883 -176.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 20.9 t -72.74 -37.7 56.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 C-N-CA 119.28 -0.968 . . . . 20.609999999999999 110.556 -178.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -65.65 -38.5 89.53 Favored 'General case' 0 C--N 1.339 0.118 0 C-N-CA 118.184 -1.407 . . . . 34.560000000000002 110.95 176.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.509 ' HE3' ' OE1' ' B' ' 3' ' ' GLU . 6.3 tptp -62.26 -42.63 99.5 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.043 -1.063 . . . . 51.490000000000002 111.177 175.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.69 -42.43 99.63 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.402 -0.519 . . . . 22.359999999999999 110.821 179.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -58.81 -42.39 89.05 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 119.596 -0.842 . . . . 22.469999999999999 111.65 179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mttt -64.11 -45.87 86.67 Favored 'General case' 0 C--O 1.24 0.557 0 CA-C-O 121.011 0.434 . . . . 32.890000000000001 111.236 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 29.6 mttm -63.58 -43.16 97.8 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.364 -0.534 . . . . 37.509999999999998 111.353 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.4 t -69.28 -37.87 76.63 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 C-N-CA 120.526 -0.47 . . . . 22.809999999999999 110.68 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -58.97 -37.01 75.8 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 118.693 -1.203 . . . . 28.010000000000002 110.754 174.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.2 -43.05 78.95 Favored 'General case' 0 C--O 1.243 0.716 0 C-N-CA 119.12 -1.032 . . . . 26.940000000000001 111.137 179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.88 -41.87 95.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.85 -0.74 . . . . 27.100000000000001 110.77 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.871 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 6.2 mt-10 -65.11 -35.7 81.96 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.415 -0.514 . . . . 45.299999999999997 112.257 178.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -90.54 -5.88 55.42 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 112.713 0.634 . . . . 29.25 112.713 -174.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.02 29.58 71.28 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-O 119.502 -0.61 . . . . 34.640000000000001 113.893 -171.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.6 m0 -61.97 141.89 57.78 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 118.149 0.975 . . . . 36.909999999999997 109.89 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 114.633 1.345 . . . . 42.729999999999997 114.633 166.836 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.198 . . . . . . . . 34.590000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -71.01 -24.09 62.3 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 121.505 -0.747 . . . . 39.289999999999999 110.085 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 37.5 t -75.81 -45.35 38.06 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 C-N-CA 119.858 -0.737 . . . . 32.359999999999999 110.407 -179.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.509 ' OE1' ' HE3' ' A' ' 18' ' ' LYS . 8.2 tt0 -64.88 -33.95 77.24 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.193 -0.603 . . . . 49.759999999999998 112.003 174.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.01 -48.24 80.64 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.175 -0.61 . . . . 35.25 110.67 170.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 34.7 mt -59.48 -46.43 88.83 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.392 -0.523 . . . . 35.859999999999999 111.213 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.21 -38.54 73.87 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.901 -0.72 . . . . 37.689999999999998 111.517 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -67.93 -43.77 78.41 Favored 'General case' 0 C--O 1.24 0.577 0 O-C-N 122.238 -0.288 . . . . 45.630000000000003 111.193 -179.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.8 mtmp? -66.49 -38.54 87.5 Favored 'General case' 0 C--N 1.339 0.123 0 CA-C-N 116.676 -0.238 . . . . 55.789999999999999 111.22 177.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -64.1 -43.38 97.45 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 C-N-CA 119.455 -0.898 . . . . 29.489999999999998 110.434 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.73 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 8.7 tp10 -68.18 -37.28 80.79 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.42 -1.312 . . . . 44.189999999999998 110.69 179.731 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.66 79.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.216 -0.593 . . . . 27.399999999999999 111.412 172.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 24.1 mt -69.72 -38.5 76.93 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 120.606 -0.438 . . . . 27.41 111.542 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -63.17 -41.57 99.26 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 112.857 0.688 . . . . 31.260000000000002 112.857 179.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' F2F . . . . . 0.411 ' HD2' ' HG3' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -71.72 -34.05 69.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 120.254 -1.529 . . . . 31.91 111.566 -175.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.04 -37.97 41.74 Favored 'Isoleucine or valine' 0 C--O 1.242 0.692 0 C-N-CA 119.623 -0.831 . . . . 20.300000000000001 110.717 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.735 ' NE2' ' O ' ' B' ' 102' ' ' HOH . 8.2 tt0 -62.53 -39.43 93.55 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 118.738 -1.185 . . . . 34.469999999999999 110.903 175.083 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tppt? -66.74 -37.95 85.68 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.401 -0.92 . . . . 36.259999999999998 111.634 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 70.2 mt -64.65 -42.48 95.39 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.099 -0.64 . . . . 22.399999999999999 111.61 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -58.66 -46.12 87.86 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 119.553 -0.859 . . . . 23.649999999999999 111.308 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -58.21 -47.96 81.86 Favored 'General case' 0 C--O 1.242 0.688 0 O-C-N 122.054 -0.404 . . . . 32.479999999999997 111.991 179.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -64.47 -44.13 92.04 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 119.702 -0.799 . . . . 36.390000000000001 111.353 -179.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 51.0 t -65.65 -36.06 76.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 O-C-N 121.946 -0.471 . . . . 22.100000000000001 110.795 -179.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.65 -35.55 81.38 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 118.771 -1.172 . . . . 29.850000000000001 110.617 176.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.59 -43.92 92.3 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 120.417 -0.513 . . . . 26.640000000000001 111.177 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.499 HD23 ' HD3' ' B' ' 33' ' ' ARG . 16.6 mt -65.58 -43.4 89.87 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.635 -0.426 . . . . 27.969999999999999 111.436 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -66.73 -35.11 79.35 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.695 -0.802 . . . . 41.700000000000003 112.456 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -90.51 -3.29 57.72 Favored 'General case' 0 C--O 1.236 0.38 0 N-CA-C 112.736 0.643 . . . . 32.259999999999998 112.736 -178.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.88 35.34 82.35 Favored Glycine 0 C--O 1.239 0.433 0 C-N-CA 120.995 -0.621 . . . . 32.399999999999999 114.016 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 42.5 m0 -65.35 139.58 58.59 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 117.591 0.695 . . . . 37.140000000000001 109.913 -177.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 60.38 36.92 20.34 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 123.313 0.645 . . . . 44.609999999999999 112.466 168.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 101.24 -17.13 56.26 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 115.594 0.998 . . . . 51.369999999999997 115.594 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . 0.499 ' HD3' HD23 ' B' ' 26' ' ' LEU . 67.4 mtt85 . . . . . 0 N--CA 1.467 0.402 0 CA-C-N 118.756 1.278 . . . . 50.700000000000003 111.676 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.871 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . 0.802 ' O ' ' OE2' ' A' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . 0.657 ' O ' ' OE2' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.73 ' O ' ' OE2' ' B' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.735 ' O ' ' NE2' ' B' ' 17' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_