data_6xxz_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 6xxz _Structure_validation_residue.Date_analyzed 2020-03-13 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 1.232 0.148 . . . . . . . . 59.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -95.18 -127.3 5.11 Favored Glycine 0 N--CA 1.447 -0.573 0 O-C-N 123.385 0.428 . . . . 50.12 112.503 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -62.5 -42.24 99.36 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.353 -0.539 . . . . 73.88 112.193 -164.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.79 -46.65 96.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.575 -0.85 . . . . 28.89 110.074 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -68.06 -34.5 76.56 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 118.574 -1.25 . . . . 75.41 112.222 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -70.49 -40.88 73.33 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.921 -0.712 . . . . 86.68 111.141 177.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -60.83 -42.68 98.2 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.094 -0.643 . . . . 44.9 110.944 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.73 -41.91 99.4 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 120.219 -0.592 . . . . 25.89 110.849 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.27 96.64 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.731 -0.387 . . . . 30.76 111.172 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.59 -40.97 96.68 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 119.394 -0.923 . . . . 92.73 110.872 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.94 -45.14 99.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.119 0.485 . . . . 17.76 110.05 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -62.68 -37.13 85.23 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 119.398 -0.921 . . . . 46.72 111.238 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -65.09 -42.16 94.31 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.075 -0.65 . . . . 49.6 111.436 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -61.88 -42.0 98.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.112 -0.635 . . . . 25.8 111.406 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.11 -40.51 96.11 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.642 -0.823 . . . . 17.19 111.044 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.86 91.42 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.117 0.484 . . . . 21.09 110.728 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.18 -37.77 88.65 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.487 -0.485 . . . . 41.57 111.347 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.77 -41.52 92.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 120.992 0.425 . . . . 14.38 110.589 177.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -62.09 -38.64 89.59 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.713 -0.795 . . . . 45.78 111.41 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -63.58 -45.86 88.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.499 -0.88 . . . . 24.89 111.037 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -57.46 -43.04 83.7 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.526 -0.47 . . . . 23.88 111.257 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.21 -40.79 94.64 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.675 -0.41 . . . . 18.46 111.631 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.89 92.89 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 120.011 -0.676 . . . . 19.88 111.016 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' NZ ' ' B' ' 25' ' ' LYS . 91.5 mt-10 -64.33 -43.12 95.64 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.565 -0.454 . . . . 42.55 111.542 177.469 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mt -62.35 -46.34 96.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-O 121.266 0.555 . . . . 14.95 110.224 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -53.91 -46.1 71.34 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.724 -0.61 . . . . 43.73 111.788 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -66.74 -37.31 84.41 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 119.205 -0.998 . . . . 65.29 111.126 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -60.48 -43.37 97.06 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 120.506 -0.478 . . . . 40.98 111.373 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.16 -31.84 72.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.116 -0.634 . . . . 28.89 112.022 178.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.56 -12.82 59.47 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 112.978 0.733 . . . . 37.96 112.978 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-N 118.358 0.526 . . . . 75.21 112.808 175.677 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.284 . . . . . . . . 46.61 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.11 98.72 Favored Glycine 0 C--N 1.345 1.073 0 C-N-CA 126.686 2.089 . . . . 34.91 117.319 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -61.64 -47.65 84.44 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 117.369 0.584 . . . . 75.86 111.815 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.0 mt -54.36 -47.47 69.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-O 121.413 0.625 . . . . 25.17 110.083 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 70.1 mttt -56.53 -39.76 73.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 121.899 -0.501 . . . . 36.78 111.506 179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -69.8 -40.51 75.93 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 118.777 -1.169 . . . . 73.29 111.283 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -66.81 -40.91 88.21 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 122.138 -0.351 . . . . 59.57 111.911 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.56 -37.72 88.52 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 118.693 -1.203 . . . . 21.89 111.229 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.66 94.89 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.512 -0.475 . . . . 22.9 111.498 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.84 -37.66 86.81 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.178 -0.609 . . . . 62.72 111.284 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.45 -45.41 95.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.401 0.619 . . . . 18.96 110.552 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.85 -42.68 84.95 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.937 -0.477 . . . . 60.64 111.279 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -63.54 -42.83 98.38 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.744 -0.382 . . . . 58.6 111.45 -179.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLN . . . . . 0.624 ' NE2' ' O ' ' B' ' 202' ' ' HOH . 40.2 mt-30 -64.32 -40.24 95.51 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 120.325 -0.55 . . . . 41.44 111.223 177.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.21 -38.43 90.43 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.234 -0.587 . . . . 19.97 111.543 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.57 92.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.008 -0.677 . . . . 20.01 110.7 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.84 -39.37 90.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 121.0 -0.28 . . . . 55.59 111.16 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.29 -43.72 97.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-O 120.908 0.385 . . . . 16.77 110.917 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -56.96 -46.29 82.24 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.118 0.485 . . . . 41.33 111.469 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -61.39 -42.57 98.94 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.46 -0.496 . . . . 29.82 111.43 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -64.07 -38.52 91.36 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.137 -0.625 . . . . 37.7 110.751 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 52.6 mt -71.06 -37.38 72.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.927 -0.709 . . . . 22.81 111.517 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.79 80.01 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.148 -0.621 . . . . 20.28 111.142 173.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -66.66 -43.16 85.28 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.575 -0.85 . . . . 54.45 111.808 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.86 -43.06 97.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.319 -0.552 . . . . 18.62 110.131 -179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . 0.439 ' NZ ' ' OE1' ' A' ' 23' ' ' GLU . 6.3 ttpt -55.2 -44.25 75.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.559 -0.456 . . . . 71.12 111.3 175.567 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -69.46 -34.98 75.19 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.092 -0.643 . . . . 56.33 111.103 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.6 -42.89 99.51 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.752 -0.779 . . . . 54.35 110.991 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.39 -36.5 58.07 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.223 -0.591 . . . . 37.9 111.826 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.56 -15.84 16.96 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.082 1.142 . . . . 35.05 114.082 -173.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 CA-C-O 119.243 -0.754 . . . . 35.66 112.592 -173.414 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PPI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' PPI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . 0.624 ' O ' ' NE2' ' B' ' 13' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . 0.424 ' O ' ' NE2' ' B' ' 13' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 59.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.585 ' O ' ' HG2' ' A' ' 5' ' ' GLN . . . -95.18 -127.3 5.11 Favored Glycine 0 N--CA 1.447 -0.573 0 O-C-N 123.385 0.428 . . . . 50.12 112.503 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . 0.624 ' HB3' ' HE2' ' B' ' 4' ' ' LYS . 62.7 tt0 -62.5 -42.24 99.36 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.353 -0.539 . . . . 73.88 112.193 -164.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.79 -46.65 96.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.575 -0.85 . . . . 28.89 110.074 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -68.06 -34.5 76.56 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 118.574 -1.25 . . . . 75.41 112.222 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 1' ' ' GLY . 6.7 mm-40 -70.49 -40.88 73.33 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.921 -0.712 . . . . 86.68 111.141 177.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -60.83 -42.68 98.2 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.094 -0.643 . . . . 44.9 110.944 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.73 -41.91 99.4 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 120.219 -0.592 . . . . 25.89 110.849 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.27 96.64 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.731 -0.387 . . . . 30.76 111.172 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.59 -40.97 96.68 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 119.394 -0.923 . . . . 92.73 110.872 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.94 -45.14 99.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.119 0.485 . . . . 17.76 110.05 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -62.68 -37.13 85.23 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 119.398 -0.921 . . . . 46.72 111.238 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -65.09 -42.16 94.31 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.075 -0.65 . . . . 49.6 111.436 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -61.88 -42.0 98.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.112 -0.635 . . . . 25.8 111.406 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.11 -40.51 96.11 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.642 -0.823 . . . . 17.19 111.044 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.86 91.42 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.117 0.484 . . . . 21.09 110.728 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.18 -37.77 88.65 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.487 -0.485 . . . . 41.57 111.347 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.77 -41.52 92.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 120.992 0.425 . . . . 14.38 110.589 177.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -62.09 -38.64 89.59 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.713 -0.795 . . . . 45.78 111.41 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -63.58 -45.86 88.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.499 -0.88 . . . . 24.89 111.037 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -57.46 -43.04 83.7 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.526 -0.47 . . . . 23.88 111.257 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.21 -40.79 94.64 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.675 -0.41 . . . . 18.46 111.631 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.89 92.89 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 120.011 -0.676 . . . . 19.88 111.016 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -64.33 -43.12 95.64 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.565 -0.454 . . . . 42.55 111.542 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mt -62.35 -46.34 96.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-O 121.266 0.555 . . . . 14.95 110.224 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -53.91 -46.1 71.34 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.724 -0.61 . . . . 43.73 111.788 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -66.74 -37.31 84.41 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 119.205 -0.998 . . . . 65.29 111.126 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -60.48 -43.37 97.06 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 120.506 -0.478 . . . . 40.98 111.373 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.16 -31.84 72.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.116 -0.634 . . . . 28.89 112.022 178.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.56 -12.82 59.47 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 112.978 0.733 . . . . 37.96 112.978 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-N 118.358 0.526 . . . . 75.21 112.808 175.677 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . 0.632 ' H2 ' ' H ' ' B' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.234 0.284 . . . . . . . . 46.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.11 98.72 Favored Glycine 0 C--N 1.345 1.073 0 C-N-CA 126.686 2.089 . . . . 34.91 117.319 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -61.64 -47.65 84.44 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 117.369 0.584 . . . . 75.86 111.815 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.0 mt -54.36 -47.47 69.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-O 121.413 0.625 . . . . 25.17 110.083 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . 0.632 ' H ' ' H2 ' ' B' ' 0' ' ' ACE . 70.1 mttt -56.53 -39.76 73.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 121.899 -0.501 . . . . 36.78 111.506 179.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -69.8 -40.51 75.93 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 118.777 -1.169 . . . . 73.29 111.283 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -66.81 -40.91 88.21 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 122.138 -0.351 . . . . 59.57 111.911 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.56 -37.72 88.52 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 118.693 -1.203 . . . . 21.89 111.229 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.66 94.89 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.512 -0.475 . . . . 22.9 111.498 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.84 -37.66 86.81 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.178 -0.609 . . . . 62.72 111.284 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.45 -45.41 95.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.401 0.619 . . . . 18.96 110.552 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.85 -42.68 84.95 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.937 -0.477 . . . . 60.64 111.279 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 208' ' ' HOH . 77.5 mt-30 -63.54 -42.83 98.38 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.744 -0.382 . . . . 58.6 111.45 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 202' ' ' HOH . 40.2 mt-30 -64.32 -40.24 95.51 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 120.325 -0.55 . . . . 41.44 111.223 177.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.21 -38.43 90.43 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.234 -0.587 . . . . 19.97 111.543 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.57 92.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.008 -0.677 . . . . 20.01 110.7 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.84 -39.37 90.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 121.0 -0.28 . . . . 55.59 111.16 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.29 -43.72 97.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-O 120.908 0.385 . . . . 16.77 110.917 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -56.96 -46.29 82.24 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.118 0.485 . . . . 41.33 111.469 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TRP . . . . . 0.509 ' O ' ' HG3' ' B' ' 23' ' ' GLU . 60.5 m95 -61.39 -42.57 98.94 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.46 -0.496 . . . . 29.82 111.43 178.557 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -64.07 -38.52 91.36 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.137 -0.625 . . . . 37.7 110.751 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 52.6 mt -71.06 -37.38 72.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.927 -0.709 . . . . 22.81 111.517 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.79 80.01 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.148 -0.621 . . . . 20.28 111.142 173.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' B' ' 19' ' ' TRP . 45.2 mt-10 -66.66 -43.16 85.28 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.575 -0.85 . . . . 54.45 111.808 178.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.86 -43.06 97.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.319 -0.552 . . . . 18.62 110.131 -179.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -55.2 -44.25 75.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.559 -0.456 . . . . 71.12 111.3 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -69.46 -34.98 75.19 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.092 -0.643 . . . . 56.33 111.103 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.6 -42.89 99.51 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.752 -0.779 . . . . 54.35 110.991 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.39 -36.5 58.07 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.223 -0.591 . . . . 37.9 111.826 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.56 -15.84 16.96 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.082 1.142 . . . . 35.05 114.082 -173.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 CA-C-O 119.243 -0.754 . . . . 35.66 112.592 -173.414 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PPI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' PPI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . 0.426 ' O ' ' NE2' ' B' ' 13' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . 0.433 ' O ' ' HG3' ' B' ' 12' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 59.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.585 ' O ' ' HG2' ' A' ' 5' ' ' GLN . . . -95.18 -127.3 5.11 Favored Glycine 0 N--CA 1.447 -0.573 0 O-C-N 123.385 0.428 . . . . 50.12 112.503 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.624 ' HB3' ' HE2' ' B' ' 4' ' ' LYS . 62.7 tt0 -62.5 -42.24 99.36 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.353 -0.539 . . . . 73.88 112.193 -164.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.79 -46.65 96.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 C-N-CA 119.575 -0.85 . . . . 28.89 110.074 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -68.06 -34.5 76.56 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 118.574 -1.25 . . . . 75.41 112.222 -177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 1' ' ' GLY . 6.7 mm-40 -70.49 -40.88 73.33 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 119.921 -0.712 . . . . 86.68 111.141 177.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -60.83 -42.68 98.2 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.094 -0.643 . . . . 44.9 110.944 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 73.7 mt -62.73 -41.91 99.4 Favored 'General case' 0 C--O 1.241 0.655 0 C-N-CA 120.219 -0.592 . . . . 25.89 110.849 177.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.73 -44.27 96.64 Favored 'General case' 0 C--O 1.24 0.582 0 C-N-CA 120.731 -0.387 . . . . 30.76 111.172 177.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.59 -40.97 96.68 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 119.394 -0.923 . . . . 92.73 110.872 178.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 62.4 mt -62.94 -45.14 99.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.119 0.485 . . . . 17.76 110.05 -179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -62.68 -37.13 85.23 Favored 'General case' 0 C--O 1.24 0.566 0 C-N-CA 119.398 -0.921 . . . . 46.72 111.238 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -65.09 -42.16 94.31 Favored 'General case' 0 C--O 1.242 0.702 0 C-N-CA 120.075 -0.65 . . . . 49.6 111.436 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -61.88 -42.0 98.55 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 120.112 -0.635 . . . . 25.8 111.406 177.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.11 -40.51 96.11 Favored 'General case' 0 C--O 1.24 0.568 0 C-N-CA 119.642 -0.823 . . . . 17.19 111.044 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.04 -45.86 91.42 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 121.117 0.484 . . . . 21.09 110.728 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -64.18 -37.77 88.65 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 120.487 -0.485 . . . . 41.57 111.347 -178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt -64.77 -41.52 92.42 Favored 'Isoleucine or valine' 0 C--O 1.244 0.768 0 CA-C-O 120.992 0.425 . . . . 14.38 110.589 177.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -62.09 -38.64 89.59 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.713 -0.795 . . . . 45.78 111.41 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -63.58 -45.86 88.48 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 119.499 -0.88 . . . . 24.89 111.037 175.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -57.46 -43.04 83.7 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.526 -0.47 . . . . 23.88 111.257 179.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 37.2 mt -65.21 -40.79 94.64 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.675 -0.41 . . . . 18.46 111.631 179.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.48 -38.89 92.89 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 120.011 -0.676 . . . . 19.88 111.016 176.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -64.33 -43.12 95.64 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.565 -0.454 . . . . 42.55 111.542 177.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 36.1 mt -62.35 -46.34 96.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 CA-C-O 121.266 0.555 . . . . 14.95 110.224 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.4 mmtm -53.91 -46.1 71.34 Favored 'General case' 0 C--O 1.241 0.655 0 O-C-N 121.724 -0.61 . . . . 43.73 111.788 174.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -66.74 -37.31 84.41 Favored 'General case' 0 C--O 1.242 0.67 0 C-N-CA 119.205 -0.998 . . . . 65.29 111.126 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -60.48 -43.37 97.06 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 120.506 -0.478 . . . . 40.98 111.373 175.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 82.8 mt -66.16 -31.84 72.93 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.116 -0.634 . . . . 28.89 112.022 178.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.56 -12.82 59.47 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 112.978 0.733 . . . . 37.96 112.978 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-N 118.358 0.526 . . . . 75.21 112.808 175.677 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . 0.632 ' H2 ' ' H ' ' B' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.234 0.284 . . . . . . . . 46.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . -63.44 -43.11 98.72 Favored Glycine 0 C--N 1.345 1.073 0 C-N-CA 126.686 2.089 . . . . 34.91 117.319 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 29.9 tp10 -61.64 -47.65 84.44 Favored 'General case' 0 C--O 1.243 0.741 0 CA-C-N 117.369 0.584 . . . . 75.86 111.815 178.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.0 mt -54.36 -47.47 69.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.573 0 CA-C-O 121.413 0.625 . . . . 25.17 110.083 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.632 ' H ' ' H2 ' ' B' ' 0' ' ' ACE . 70.1 mttt -56.53 -39.76 73.92 Favored 'General case' 0 C--O 1.239 0.512 0 O-C-N 121.899 -0.501 . . . . 36.78 111.506 179.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -69.8 -40.51 75.93 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 118.777 -1.169 . . . . 73.29 111.283 -178.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 85.0 mm-40 -66.81 -40.91 88.21 Favored 'General case' 0 C--O 1.241 0.626 0 O-C-N 122.138 -0.351 . . . . 59.57 111.911 177.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.2 mt -64.56 -37.72 88.52 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 118.693 -1.203 . . . . 21.89 111.229 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.24 -40.66 94.89 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.512 -0.475 . . . . 22.9 111.498 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -65.84 -37.66 86.81 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 120.178 -0.609 . . . . 62.72 111.284 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 89.8 mt -64.45 -45.41 95.86 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.401 0.619 . . . . 18.96 110.552 178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 ttpt -57.85 -42.68 84.95 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.937 -0.477 . . . . 60.64 111.279 176.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.433 ' HG3' ' O ' ' B' ' 208' ' ' HOH . 77.5 mt-30 -63.54 -42.83 98.38 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.744 -0.382 . . . . 58.6 111.45 -179.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' B' ' 202' ' ' HOH . 40.2 mt-30 -64.32 -40.24 95.51 Favored 'General case' 0 C--O 1.244 0.812 0 C-N-CA 120.325 -0.55 . . . . 41.44 111.223 177.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.21 -38.43 90.43 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 120.234 -0.587 . . . . 19.97 111.543 178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.57 92.92 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.008 -0.677 . . . . 20.01 110.7 175.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -65.84 -39.37 90.75 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 121.0 -0.28 . . . . 55.59 111.16 178.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 57.8 mt -61.29 -43.72 97.08 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 CA-C-O 120.908 0.385 . . . . 16.77 110.917 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -56.96 -46.29 82.24 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-O 121.118 0.485 . . . . 41.33 111.469 177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TRP . . . . . 0.509 ' O ' ' HG3' ' B' ' 23' ' ' GLU . 60.5 m95 -61.39 -42.57 98.94 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 120.46 -0.496 . . . . 29.82 111.43 178.557 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -64.07 -38.52 91.36 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 120.137 -0.625 . . . . 37.7 110.751 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 52.6 mt -71.06 -37.38 72.5 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 119.927 -0.709 . . . . 22.81 111.517 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.79 80.01 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 120.148 -0.621 . . . . 20.28 111.142 173.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' B' ' 19' ' ' TRP . 45.2 mt-10 -66.66 -43.16 85.28 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 119.575 -0.85 . . . . 54.45 111.808 178.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.86 -43.06 97.71 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 C-N-CA 120.319 -0.552 . . . . 18.62 110.131 -179.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -55.2 -44.25 75.18 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.559 -0.456 . . . . 71.12 111.3 175.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 48.1 tp60 -69.46 -34.98 75.19 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.092 -0.643 . . . . 56.33 111.103 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -61.6 -42.89 99.51 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.752 -0.779 . . . . 54.35 110.991 177.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 92.0 mt -76.39 -36.5 58.07 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.223 -0.591 . . . . 37.9 111.826 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.56 -15.84 16.96 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 114.082 1.142 . . . . 35.05 114.082 -173.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.446 0 CA-C-O 119.243 -0.754 . . . . 35.66 112.592 -173.414 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PPI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' PPI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . 0.426 ' O ' ' NE2' ' B' ' 13' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . 0.433 ' O ' ' HG3' ' B' ' 12' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_