data_6ov9_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 6ov9 _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 1.237 0.418 . . . . . . . . 38.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.75 -56.27 23.95 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.341 1.056 . . . . 48.09 111.527 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.67 -48.66 80.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.164 0.506 . . . . 40.43 110.419 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -59.17 -44.76 92.16 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.075 -0.391 . . . . 44.94 111.719 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.54 69.78 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 118.765 -1.174 . . . . 36.81 111.118 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.67 -40.53 72.92 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.961 -0.696 . . . . 38.29 111.082 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -55.96 -43.34 77.44 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.097 -0.641 . . . . 46.75 110.72 172.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.8 tppt? -58.65 -49.63 76.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.809 0.338 . . . . 41.91 111.41 176.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -61.04 -44.67 97.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.181 -0.607 . . . . 36.23 110.979 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.84 -37.46 79.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 121.126 0.489 . . . . 28.77 110.5 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -72.96 -33.36 65.82 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.43 -0.908 . . . . 35.26 111.724 -177.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.01 92.84 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.91 -0.716 . . . . 23.25 110.855 171.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.89 -39.2 87.39 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.38 -0.2 . . . . 22.9 111.532 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . 0.708 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 3.8 mt-10 -61.61 -38.19 86.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.717 -0.793 . . . . 34.83 110.693 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.685 ' NZ ' ' O ' ' A' ' 103' ' ' HOH . 38.6 mttm -53.19 -46.28 68.91 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 120.195 -1.565 . . . . 30.21 111.347 -178.569 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.0 t -63.88 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.043 -0.663 . . . . 20.23 110.431 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.95 -44.32 97.44 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 119.809 -0.757 . . . . 39.68 111.464 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -62.28 -43.14 99.51 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.157 -0.617 . . . . 41.85 111.395 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.94 -48.51 78.12 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.095 -0.378 . . . . 15.31 111.415 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.76 -46.73 74.38 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 120.238 -0.585 . . . . 22.0 111.574 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -59.78 -44.01 94.13 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.845 -0.342 . . . . 31.46 111.552 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.09 -38.01 75.58 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.122 -1.031 . . . . 31.18 110.79 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.15 -41.11 88.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 120.8 -0.36 . . . . 19.88 111.061 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.83 -41.98 98.46 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.203 -0.999 . . . . 32.85 111.094 175.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.54 77.3 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.594 -0.442 . . . . 26.59 111.261 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.02 -35.02 69.27 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.906 -0.318 . . . . 29.38 111.639 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.84 -36.15 64.88 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.09 -0.644 . . . . 33.74 111.85 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.6 -2.19 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.854 0.687 . . . . 34.93 112.854 -170.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.0 31.73 73.41 Favored Glycine 0 C--O 1.238 0.352 0 C-N-CA 120.352 -0.928 . . . . 36.34 112.964 -170.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -62.7 120.77 11.87 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.527 0.663 . . . . 37.43 109.993 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 61.06 39.91 15.7 Favored 'General case' 0 C--N 1.34 0.169 0 O-C-N 123.899 0.75 . . . . 39.16 111.443 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.28 -3.74 14.44 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-O 119.012 -0.882 . . . . 41.82 115.204 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 . . . . . 0 N--CA 1.454 -0.227 0 CA-C-N 118.706 1.253 . . . . 41.98 109.125 172.527 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 36.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.59 -42.88 64.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.73 0.27 . . . . 49.4 111.73 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.31 -49.36 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.435 0.636 . . . . 43.35 110.146 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -60.86 -36.26 78.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 122.014 -0.429 . . . . 46.49 110.961 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.8 60.71 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.893 -1.123 . . . . 34.78 110.913 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.66 -39.95 64.08 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.309 -0.956 . . . . 39.67 111.138 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.9 -36.14 76.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.178 -0.609 . . . . 42.79 110.824 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.3 -45.57 83.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.629 0.252 . . . . 43.73 111.607 176.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -66.68 -39.47 88.14 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.194 -1.002 . . . . 42.63 110.926 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -51.65 64.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.177 0.513 . . . . 27.98 110.525 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.4 -21.67 66.71 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.939 -0.705 . . . . 40.06 112.163 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.61 -30.56 46.65 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 118.706 0.685 . . . . 25.38 111.765 169.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.34 -39.65 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.583 -0.447 . . . . 23.46 110.883 173.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -54.49 -43.04 71.45 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.671 0.619 . . . . 40.85 112.671 175.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . 0.514 ' NZ ' ' O ' ' B' ' 102' ' ' HOH . 32.6 mttm -61.42 -46.83 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 120.747 -1.221 . . . . 35.26 111.657 179.004 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.15 -43.19 95.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 120.269 -0.572 . . . . 20.73 110.378 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -55.74 -48.05 75.9 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.627 -0.671 . . . . 35.74 111.305 176.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.435 -0.506 . . . . 33.27 111.086 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.0 -45.41 94.93 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.257 -0.577 . . . . 18.29 111.208 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.55 -44.51 80.96 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.331 -0.548 . . . . 21.71 111.745 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.24 -42.3 99.19 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 122.12 -0.362 . . . . 28.03 111.534 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . 0.466 ' NZ ' ' O ' ' B' ' 103' ' ' HOH . 51.2 mttm -69.05 -41.14 78.03 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.12 -1.032 . . . . 27.34 110.666 -178.975 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 53.0 t -67.64 -40.54 84.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.299 -0.561 . . . . 21.32 111.047 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -59.67 -43.53 93.93 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.196 -1.002 . . . . 33.2 111.459 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.81 86.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.075 -0.25 . . . . 28.78 111.194 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.39 -42.01 88.53 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.498 -0.481 . . . . 30.4 111.312 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -66.31 -33.31 75.45 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.998 -0.439 . . . . 39.25 112.042 -176.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -100.66 -6.99 24.37 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 113.065 0.765 . . . . 34.27 113.065 -172.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.28 35.0 87.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.062 -1.066 . . . . 36.55 113.304 -171.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.12 120.17 10.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 117.746 0.773 . . . . 36.09 110.168 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 61.29 35.59 18.07 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.682 0.614 . . . . 40.6 111.553 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.83 -4.56 60.74 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-O 119.082 -0.843 . . . . 40.06 115.008 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 . . . . . 0 C--O 1.234 0.271 0 CA-C-N 118.407 1.103 . . . . 41.48 109.617 169.293 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . 0.685 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.514 ' O ' ' NZ ' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . 0.466 ' O ' ' NZ ' ' B' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.418 . . . . . . . . 38.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.75 -56.27 23.95 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.341 1.056 . . . . 48.09 111.527 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.67 -48.66 80.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.164 0.506 . . . . 40.43 110.419 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -59.17 -44.76 92.16 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.075 -0.391 . . . . 44.94 111.719 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.54 69.78 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 118.765 -1.174 . . . . 36.81 111.118 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.67 -40.53 72.92 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.961 -0.696 . . . . 38.29 111.082 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 8.8 mt-10 -55.96 -43.34 77.44 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.097 -0.641 . . . . 46.75 110.72 172.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' NZ ' ' HE1' ' B' ' 14' ' ' PPN . 2.8 tppt? -58.65 -49.63 76.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.809 0.338 . . . . 41.91 111.41 176.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -61.04 -44.67 97.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.181 -0.607 . . . . 36.23 110.979 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.84 -37.46 79.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 121.126 0.489 . . . . 28.77 110.5 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 18.7 mm-40 -72.96 -33.36 65.82 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.43 -0.908 . . . . 35.26 111.724 -177.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.01 92.84 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.91 -0.716 . . . . 23.25 110.855 171.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.89 -39.2 87.39 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.38 -0.2 . . . . 22.9 111.532 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . 0.708 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 3.8 mt-10 -61.61 -38.19 86.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.717 -0.793 . . . . 34.83 110.693 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -53.19 -46.28 68.91 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 120.195 -1.565 . . . . 30.21 111.347 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.0 t -63.88 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.043 -0.663 . . . . 20.23 110.431 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.95 -44.32 97.44 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 119.809 -0.757 . . . . 39.68 111.464 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -62.28 -43.14 99.51 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.157 -0.617 . . . . 41.85 111.395 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.94 -48.51 78.12 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.095 -0.378 . . . . 15.31 111.415 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.76 -46.73 74.38 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 120.238 -0.585 . . . . 22.0 111.574 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -59.78 -44.01 94.13 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.845 -0.342 . . . . 31.46 111.552 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.09 -38.01 75.58 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.122 -1.031 . . . . 31.18 110.79 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.15 -41.11 88.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 120.8 -0.36 . . . . 19.88 111.061 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.83 -41.98 98.46 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.203 -0.999 . . . . 32.85 111.094 175.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.54 77.3 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.594 -0.442 . . . . 26.59 111.261 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.02 -35.02 69.27 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.906 -0.318 . . . . 29.38 111.639 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.84 -36.15 64.88 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.09 -0.644 . . . . 33.74 111.85 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.6 -2.19 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.854 0.687 . . . . 34.93 112.854 -170.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.0 31.73 73.41 Favored Glycine 0 C--O 1.238 0.352 0 C-N-CA 120.352 -0.928 . . . . 36.34 112.964 -170.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -62.7 120.77 11.87 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.527 0.663 . . . . 37.43 109.993 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 61.06 39.91 15.7 Favored 'General case' 0 C--N 1.34 0.169 0 O-C-N 123.899 0.75 . . . . 39.16 111.443 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.28 -3.74 14.44 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-O 119.012 -0.882 . . . . 41.82 115.204 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 . . . . . 0 N--CA 1.454 -0.227 0 CA-C-N 118.706 1.253 . . . . 41.98 109.125 172.527 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 36.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.59 -42.88 64.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.73 0.27 . . . . 49.4 111.73 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.31 -49.36 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.435 0.636 . . . . 43.35 110.146 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -60.86 -36.26 78.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 122.014 -0.429 . . . . 46.49 110.961 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.8 60.71 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.893 -1.123 . . . . 34.78 110.913 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.66 -39.95 64.08 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.309 -0.956 . . . . 39.67 111.138 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.9 -36.14 76.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.178 -0.609 . . . . 42.79 110.824 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.3 -45.57 83.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.629 0.252 . . . . 43.73 111.607 176.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -66.68 -39.47 88.14 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.194 -1.002 . . . . 42.63 110.926 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -51.65 64.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.177 0.513 . . . . 27.98 110.525 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.4 -21.67 66.71 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.939 -0.705 . . . . 40.06 112.163 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.61 -30.56 46.65 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 118.706 0.685 . . . . 25.38 111.765 169.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.34 -39.65 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.583 -0.447 . . . . 23.46 110.883 173.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -54.49 -43.04 71.45 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.671 0.619 . . . . 40.85 112.671 175.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PPN . . . . . 0.452 ' HE1' ' NZ ' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.546 ' HE3' ' O ' ' B' ' 116' ' ' HOH . 32.6 mttm -61.42 -46.83 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 120.747 -1.221 . . . . 35.26 111.657 179.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.15 -43.19 95.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 120.269 -0.572 . . . . 20.73 110.378 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -55.74 -48.05 75.9 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.627 -0.671 . . . . 35.74 111.305 176.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.435 -0.506 . . . . 33.27 111.086 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.0 -45.41 94.93 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.257 -0.577 . . . . 18.29 111.208 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.55 -44.51 80.96 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.331 -0.548 . . . . 21.71 111.745 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.24 -42.3 99.19 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 122.12 -0.362 . . . . 28.03 111.534 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -69.05 -41.14 78.03 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.12 -1.032 . . . . 27.34 110.666 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' B' ' 27' ' ' GLU . 53.0 t -67.64 -40.54 84.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.299 -0.561 . . . . 21.32 111.047 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -59.67 -43.53 93.93 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.196 -1.002 . . . . 33.2 111.459 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.81 86.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.075 -0.25 . . . . 28.78 111.194 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.39 -42.01 88.53 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.498 -0.481 . . . . 30.4 111.312 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 23' ' ' VAL . 32.4 mt-10 -66.31 -33.31 75.45 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.998 -0.439 . . . . 39.25 112.042 -176.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -100.66 -6.99 24.37 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 113.065 0.765 . . . . 34.27 113.065 -172.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.28 35.0 87.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.062 -1.066 . . . . 36.55 113.304 -171.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.12 120.17 10.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 117.746 0.773 . . . . 36.09 110.168 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 61.29 35.59 18.07 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.682 0.614 . . . . 40.6 111.553 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.83 -4.56 60.74 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-O 119.082 -0.843 . . . . 40.06 115.008 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 . . . . . 0 C--O 1.234 0.271 0 CA-C-N 118.407 1.103 . . . . 41.48 109.617 169.293 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.504 ' O ' ' NZ ' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 build full ' B' B ' 116' ' ' HOH . . . . . 0.546 ' O ' ' HE3' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.418 . . . . . . . . 38.359999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -59.75 -56.27 23.95 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 124.341 1.056 . . . . 48.090000000000003 111.527 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.67 -48.66 80.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-O 121.164 0.506 . . . . 40.43 110.419 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -59.17 -44.76 92.16 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 122.075 -0.391 . . . . 44.939999999999998 111.719 -178.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.04 -30.54 69.78 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 118.765 -1.174 . . . . 36.810000000000002 111.118 177.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.67 -40.53 72.92 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.961 -0.696 . . . . 38.289999999999999 111.082 176.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 8.8 mt-10 -55.96 -43.34 77.44 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.097 -0.641 . . . . 46.75 110.72 172.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.452 ' NZ ' ' HE1' ' B' ' 14' ' ' PPN . 2.8 tppt? -58.65 -49.63 76.84 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.809 0.338 . . . . 41.909999999999997 111.41 176.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -61.04 -44.67 97.05 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.181 -0.607 . . . . 36.229999999999997 110.979 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.6 t -62.84 -37.46 79.24 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 CA-C-O 121.126 0.489 . . . . 28.77 110.5 -178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG2' ' O ' ' A' ' 6' ' ' GLU . 18.7 mm-40 -72.96 -33.36 65.82 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.43 -0.908 . . . . 35.259999999999998 111.724 -177.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.01 92.84 Favored 'General case' 0 C--N 1.332 -0.179 0 C-N-CA 119.91 -0.716 . . . . 23.25 110.855 171.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.0 mt -66.89 -39.2 87.39 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 122.38 -0.2 . . . . 22.899999999999999 111.532 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.708 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 3.8 mt-10 -61.61 -38.19 86.7 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 119.717 -0.793 . . . . 34.829999999999998 110.693 178.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PPN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 38.6 mttm -53.19 -46.28 68.91 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 120.195 -1.565 . . . . 30.210000000000001 111.347 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 17.0 t -63.88 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 C-N-CA 120.043 -0.663 . . . . 20.23 110.431 -178.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.95 -44.32 97.44 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 119.809 -0.757 . . . . 39.68 111.464 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.7 tttt -62.28 -43.14 99.51 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.157 -0.617 . . . . 41.850000000000001 111.395 177.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.8 mt -56.94 -48.51 78.12 Favored 'General case' 0 C--O 1.237 0.42 0 O-C-N 122.095 -0.378 . . . . 15.31 111.415 174.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -54.76 -46.73 74.38 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 120.238 -0.585 . . . . 22.0 111.574 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -59.78 -44.01 94.13 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.845 -0.342 . . . . 31.460000000000001 111.552 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -70.09 -38.01 75.58 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 119.122 -1.031 . . . . 31.18 110.79 -177.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.15 -41.11 88.76 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 120.8 -0.36 . . . . 19.879999999999999 111.061 177.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -61.83 -41.98 98.46 Favored 'General case' 0 C--O 1.239 0.551 0 C-N-CA 119.203 -0.999 . . . . 32.850000000000001 111.094 175.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -37.54 77.3 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.594 -0.442 . . . . 26.59 111.261 177.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.7 mt -72.02 -35.02 69.27 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 120.906 -0.318 . . . . 29.379999999999999 111.639 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.84 -36.15 64.88 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.09 -0.644 . . . . 33.740000000000002 111.85 -177.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -95.6 -2.19 48.81 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.854 0.687 . . . . 34.93 112.854 -170.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.0 31.73 73.41 Favored Glycine 0 C--O 1.238 0.352 0 C-N-CA 120.352 -0.928 . . . . 36.340000000000003 112.964 -170.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -62.7 120.77 11.87 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 117.527 0.663 . . . . 37.43 109.993 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 47.1 m-20 61.06 39.91 15.7 Favored 'General case' 0 C--N 1.34 0.169 0 O-C-N 123.899 0.75 . . . . 39.159999999999997 111.443 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.28 -3.74 14.44 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-O 119.012 -0.882 . . . . 41.82 115.204 -177.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 . . . . . 0 N--CA 1.454 -0.227 0 CA-C-N 118.706 1.253 . . . . 41.979999999999997 109.125 172.527 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 . . . . . . . . 36.840000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -72.59 -42.88 64.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 111.73 0.27 . . . . 49.399999999999999 111.73 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 4.9 t -59.31 -49.36 83.76 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-O 121.435 0.636 . . . . 43.350000000000001 110.146 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -60.86 -36.26 78.69 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 122.014 -0.429 . . . . 46.490000000000002 110.961 -179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.8 60.71 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.893 -1.123 . . . . 34.780000000000001 110.913 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.66 -39.95 64.08 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 119.309 -0.956 . . . . 39.670000000000002 111.138 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.9 -36.14 76.35 Favored 'General case' 0 C--O 1.234 0.277 0 C-N-CA 120.178 -0.609 . . . . 42.789999999999999 110.824 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mtmt -65.3 -45.57 83.84 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.629 0.252 . . . . 43.729999999999997 111.607 176.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -66.68 -39.47 88.14 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 119.194 -1.002 . . . . 42.630000000000003 110.926 -178.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 39.4 t -64.69 -51.65 64.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.472 0 CA-C-O 121.177 0.513 . . . . 27.98 110.525 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -64.4 -21.67 66.71 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 119.939 -0.705 . . . . 40.060000000000002 112.163 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.61 -30.56 46.65 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 118.706 0.685 . . . . 25.379999999999999 111.765 169.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 28.8 mt -67.34 -39.65 85.81 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.583 -0.447 . . . . 23.460000000000001 110.883 173.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -54.49 -43.04 71.45 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 112.671 0.619 . . . . 40.850000000000001 112.671 175.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PPN . . . . . 0.452 ' HE1' ' NZ ' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.546 ' HE3' ' O ' ' B' ' 116' ' ' HOH . 32.6 mttm -61.42 -46.83 88.5 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 120.747 -1.221 . . . . 35.259999999999998 111.657 179.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.15 -43.19 95.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 C-N-CA 120.269 -0.572 . . . . 20.73 110.378 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -55.74 -48.05 75.9 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 121.627 -0.671 . . . . 35.740000000000002 111.305 176.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 tttt -63.34 -38.59 91.74 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 120.435 -0.506 . . . . 33.270000000000003 111.086 179.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 20.3 mt -61.0 -45.41 94.93 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.257 -0.577 . . . . 18.289999999999999 111.208 176.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -56.55 -44.51 80.96 Favored 'General case' 0 C--O 1.245 0.862 0 C-N-CA 120.331 -0.548 . . . . 21.710000000000001 111.745 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.24 -42.3 99.19 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 122.12 -0.362 . . . . 28.030000000000001 111.534 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -69.05 -41.14 78.03 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 119.12 -1.032 . . . . 27.34 110.666 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.55 ' O ' ' HG3' ' B' ' 27' ' ' GLU . 53.0 t -67.64 -40.54 84.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 C-N-CA 120.299 -0.561 . . . . 21.32 111.047 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -59.67 -43.53 93.93 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.196 -1.002 . . . . 33.200000000000003 111.459 176.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.51 -41.81 86.23 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 121.075 -0.25 . . . . 28.780000000000001 111.194 177.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -66.39 -42.01 88.53 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.498 -0.481 . . . . 30.399999999999999 111.312 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.55 ' HG3' ' O ' ' B' ' 23' ' ' VAL . 32.4 mt-10 -66.31 -33.31 75.45 Favored 'General case' 0 C--O 1.239 0.513 0 O-C-N 121.998 -0.439 . . . . 39.25 112.042 -176.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -100.66 -6.99 24.37 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 113.065 0.765 . . . . 34.270000000000003 113.065 -172.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.28 35.0 87.03 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.062 -1.066 . . . . 36.549999999999997 113.304 -171.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 36.6 m0 -63.12 120.17 10.95 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 117.746 0.773 . . . . 36.090000000000003 110.168 -178.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 61.29 35.59 18.07 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.682 0.614 . . . . 40.600000000000001 111.553 174.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 78.83 -4.56 60.74 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-O 119.082 -0.843 . . . . 40.060000000000002 115.008 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 . . . . . 0 C--O 1.234 0.271 0 CA-C-N 118.407 1.103 . . . . 41.479999999999997 109.617 169.293 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.708 ' O ' ' OE1' ' A' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.504 ' O ' ' NZ ' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . 0.546 ' O ' ' HE3' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_