data_6q5s_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 6q5s _Structure_validation_residue.Date_analyzed 2019-05-17 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 75.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 54.48 -123.36 27.9 Favored Glycine 0 C--N 1.34 0.758 0 C-N-CA 125.612 1.577 . . . . 70.23 113.466 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.87 -36.29 77.93 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.979 -0.689 . . . . 56.62 111.657 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.5 -38.55 91.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.897 -0.721 . . . . 59.85 111.149 -178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -65.72 -41.48 92.2 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.991 -0.684 . . . . 68.05 111.017 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.87 82.95 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.835 -0.746 . . . . 40.2 111.055 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.21 -32.41 73.45 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.266 -0.574 . . . . 37.46 111.312 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.3 -41.5 76.68 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.452 -0.499 . . . . 32.26 110.873 179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.86 -35.49 80.8 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.534 -0.467 . . . . 90.02 111.883 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.25 -39.14 92.26 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.631 -1.228 . . . . 53.84 111.084 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.4 tp -65.58 -39.17 91.33 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.147 -0.621 . . . . 34.97 111.352 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE1' ' NZ ' ' D' ' 25' ' ' LYS . 76.1 tt0 -61.39 -42.85 99.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.01 -0.676 . . . . 77.3 111.032 174.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.96 87.3 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 120.943 0.401 . . . . 34.73 111.405 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.35 -39.97 94.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.409 -0.516 . . . . 34.0 111.483 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.24 95.41 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.606 -0.838 . . . . 32.86 111.045 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' A' ' 101' ' ' HOH . 30.2 mttp -58.44 -39.87 81.02 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.113 -0.635 . . . . 68.4 110.915 175.853 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.15 -39.6 94.37 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.265 -0.574 . . . . 74.26 110.458 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.78 -42.17 95.28 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.53 -0.868 . . . . 31.75 111.064 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -58.92 -42.25 89.25 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.453 -0.499 . . . . 51.99 110.891 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.38 98.26 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 120.647 -0.421 . . . . 33.02 111.153 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.11 -38.62 91.71 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.312 -0.555 . . . . 34.79 111.064 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.9 81.81 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.985 -0.686 . . . . 33.75 110.723 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -75.55 -27.99 58.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.775 -0.77 . . . . 38.34 111.283 -174.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -61.43 -39.5 91.04 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.434 -0.906 . . . . 64.02 110.504 170.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp -66.9 -42.56 85.27 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.621 -0.432 . . . . 41.34 110.707 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.0 mttm -54.33 -45.05 72.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.568 -0.453 . . . . 62.52 110.695 173.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.72 68.64 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.85 -0.34 . . . . 54.76 111.108 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.13 -34.26 68.21 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.13 -0.628 . . . . 58.55 111.585 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.01 69.63 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.501 0.556 . . . . 77.14 112.501 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -68.05 -38.71 82.78 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.281 -0.968 . . . . 74.58 111.364 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 121.268 -0.491 . . . . 89.49 112.628 177.035 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 120.667 0.037 . . . . 66.59 113.184 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.72 -40.71 95.79 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.481 -0.488 . . . . 84.55 111.649 -172.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 14.2 tp -65.56 -42.72 91.5 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.221 -0.591 . . . . 46.57 111.531 -177.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.88 -40.77 94.25 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.947 -0.301 . . . . 97.93 111.159 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.57 86.35 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.818 -0.753 . . . . 41.23 111.247 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.11 -39.07 86.62 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.271 -0.572 . . . . 68.97 110.732 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.04 81.48 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.118 -0.633 . . . . 38.15 111.192 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 19.0 mm100 -66.17 -42.81 88.42 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.037 -0.414 . . . . 74.1 111.232 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.64 -42.0 87.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.706 0.288 . . . . 67.53 111.164 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.25 -37.37 87.0 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.448 -0.501 . . . . 47.68 111.499 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.9 -38.28 82.77 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.287 -0.565 . . . . 52.81 110.89 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.31 93.93 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.943 -0.703 . . . . 34.48 110.932 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.83 -35.65 72.55 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.071 -0.652 . . . . 46.61 111.475 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.46 87.92 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.745 -0.782 . . . . 29.49 111.171 174.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.445 -0.502 . . . . 37.37 110.821 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -62.2 -35.45 78.89 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.55 -0.86 . . . . 72.35 110.97 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp -65.41 -43.01 91.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.815 -0.754 . . . . 47.38 111.364 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . 0.419 ' NZ ' ' O ' ' B' ' 103' ' ' HOH . 89.5 mttt -60.75 -38.63 85.84 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.205 -0.598 . . . . 40.92 111.262 176.829 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.82 93.75 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.722 0.296 . . . . 29.43 111.271 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.08 -33.5 73.64 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.313 -0.955 . . . . 34.95 111.349 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.78 94.57 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.689 -0.404 . . . . 29.12 111.015 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -67.77 -35.76 79.28 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.797 -0.761 . . . . 46.03 111.126 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . 0.43 ' NZ ' ' O ' ' B' ' 102' ' ' HOH . 41.6 tptt -64.23 -39.89 94.9 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.23 -1.388 . . . . 77.35 110.362 176.416 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.99 -41.69 98.32 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 122.162 -0.336 . . . . 33.25 111.442 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.91 -39.15 91.0 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.177 -0.609 . . . . 40.92 111.47 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -46.15 84.42 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.622 -0.431 . . . . 35.99 110.799 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.54 -40.33 94.31 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 121.121 -0.232 . . . . 47.82 111.498 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.49 69.39 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.537 -0.465 . . . . 59.66 111.648 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -97.16 -27.74 14.42 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.34 0.867 . . . . 76.04 113.34 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.296 0 CA-C-N 118.268 0.486 . . . . 83.93 114.241 -176.355 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 63.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.16 65.06 Favored Glycine 0 C--N 1.335 0.517 0 N-CA-C 109.498 -1.441 . . . . 68.78 109.498 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.16 -37.12 75.13 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.568 -0.316 . . . . 100.0 111.415 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.43 -44.19 97.03 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.845 -0.742 . . . . 41.31 110.938 175.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -38.49 91.17 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.875 -0.73 . . . . 85.01 111.12 178.678 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.16 97.81 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.982 -0.687 . . . . 40.34 111.047 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.63 -41.79 99.21 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.107 -0.637 . . . . 42.31 110.902 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.97 91.33 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 120.507 -0.477 . . . . 32.57 111.177 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -61.8 -35.47 78.29 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.09 -0.644 . . . . 71.09 111.377 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.38 -40.96 98.64 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.831 -0.748 . . . . 58.16 110.753 174.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.26 -37.97 89.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.464 -0.894 . . . . 34.02 110.841 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.75 -45.57 82.07 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.803 -0.359 . . . . 76.81 111.469 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.57 0.224 . . . . 37.15 111.569 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.39 -42.56 87.7 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.367 -0.533 . . . . 38.96 111.23 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.93 78.95 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.129 -0.628 . . . . 32.87 111.11 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.27 -42.08 99.03 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.185 -0.606 . . . . 51.18 111.376 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.58 -36.0 82.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.714 -0.394 . . . . 59.46 111.707 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.68 -43.96 87.71 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.602 -0.839 . . . . 28.98 110.743 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.9 -42.48 93.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.661 -0.415 . . . . 73.21 110.535 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.93 85.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.704 -0.398 . . . . 34.39 110.882 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.84 -42.5 81.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 120.897 -0.321 . . . . 37.05 111.318 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.74 88.59 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.84 -0.744 . . . . 30.39 111.369 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -57.8 -41.23 81.71 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 119.634 -0.826 . . . . 41.85 110.696 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.2 -37.13 84.84 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.959 -0.696 . . . . 36.08 111.015 -179.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.77 -43.03 99.86 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.888 -0.725 . . . . 33.54 110.844 177.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.76 -44.7 95.51 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.899 -0.32 . . . . 69.76 111.19 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.07 -47.05 72.09 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.127 0.489 . . . . 37.64 111.555 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.39 -41.64 89.06 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.026 -0.67 . . . . 46.63 111.152 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.26 99.17 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.985 -0.686 . . . . 46.28 111.49 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -73.62 -40.26 63.94 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 111.982 0.364 . . . . 85.58 111.982 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.39 -179.93 49.42 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.132 0.413 . . . . 62.57 114.132 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.43 4.105 0 CA-C-N 113.457 -1.371 . . . . 42.98 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 82.19 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . 58.51 -119.22 16.38 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.129 0.871 . . . . 83.7 113.751 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.95 -40.15 96.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.861 -0.335 . . . . 94.46 111.556 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.95 -38.21 82.54 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.672 -0.811 . . . . 49.63 111.455 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.13 -40.17 78.43 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 118.759 -1.177 . . . . 91.36 110.71 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.76 76.43 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 119.882 -0.727 . . . . 40.69 110.555 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.48 -40.52 80.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.846 -0.742 . . . . 63.52 111.593 179.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.54 78.64 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 120.012 -0.675 . . . . 38.01 111.276 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.07 -40.29 97.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.707 0.289 . . . . 86.33 110.83 176.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.87 -39.2 93.65 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.595 -0.842 . . . . 62.54 110.792 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.45 -38.01 83.84 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.58 -0.448 . . . . 34.92 111.696 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' GLU . . . . . 0.651 ' OE2' ' O ' ' D' ' 101' ' ' HOH . 36.3 mt-10 -58.38 -47.31 84.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.946 0.403 . . . . 54.87 110.716 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.47 98.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.495 -0.32 . . . . 33.43 111.154 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.53 -39.44 94.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.249 -0.58 . . . . 65.51 111.024 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.69 90.99 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.237 -0.585 . . . . 29.53 111.159 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.96 -36.65 84.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.151 -0.62 . . . . 40.39 111.322 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -65.82 -38.23 88.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.081 -0.648 . . . . 66.35 111.01 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.29 -36.89 85.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.304 -0.958 . . . . 37.98 110.93 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -64.7 -42.49 95.26 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.213 -0.595 . . . . 57.11 111.036 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.75 79.02 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.388 -0.525 . . . . 31.78 110.665 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.12 -43.02 96.59 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.943 -0.703 . . . . 42.46 111.186 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.78 -44.25 81.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.968 0.413 . . . . 34.24 111.155 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.63 -34.35 71.98 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.08 -1.048 . . . . 45.95 110.928 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -61.38 -38.52 87.32 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.189 -1.005 . . . . 69.86 110.553 173.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -65.77 -43.48 88.73 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.527 -0.469 . . . . 62.13 111.31 179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' LYS . . . . . 0.408 ' NZ ' ' OE1' ' A' ' 11' ' ' GLU . 95.6 mttt -60.16 -41.35 92.62 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.348 -0.541 . . . . 42.71 111.297 176.606 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.1 85.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.21 -0.596 . . . . 38.44 110.816 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.52 -39.24 77.64 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.337 -0.545 . . . . 53.0 111.308 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.93 -20.19 55.99 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.518 -0.473 . . . . 55.65 111.884 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -103.5 -25.74 13.11 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.487 0.921 . . . . 83.3 113.487 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.317 0 N-CA-C 114.349 0.5 . . . . 80.46 114.349 -175.236 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.675 ' O ' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.43 ' O ' ' NZ ' ' B' ' 23' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . 0.419 ' O ' ' NZ ' ' B' ' 18' ' ' 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 orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . 0.651 ' O ' ' OE2' ' D' ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 75.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 54.48 -123.36 27.9 Favored Glycine 0 C--N 1.34 0.758 0 C-N-CA 125.612 1.577 . . . . 70.23 113.466 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.87 -36.29 77.93 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.979 -0.689 . . . . 56.62 111.657 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . 0.531 HD11 HD11 ' B' ' 3' ' ' LEU . 19.9 tp -64.5 -38.55 91.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.897 -0.721 . . . . 59.85 111.149 -178.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -65.72 -41.48 92.2 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.991 -0.684 . . . . 68.05 111.017 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.87 82.95 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.835 -0.746 . . . . 40.2 111.055 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.21 -32.41 73.45 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.266 -0.574 . . . . 37.46 111.312 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HA ' HD23 ' D' ' 24' ' ' LEU . . . -69.3 -41.5 76.68 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.452 -0.499 . . . . 32.26 110.873 179.131 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.86 -35.49 80.8 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.534 -0.467 . . . . 90.02 111.883 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.25 -39.14 92.26 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.631 -1.228 . . . . 53.84 111.084 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 21' ' ' ALA . 36.4 tp -65.58 -39.17 91.33 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.147 -0.621 . . . . 34.97 111.352 -179.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -61.39 -42.85 99.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.01 -0.676 . . . . 77.3 111.032 174.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.96 87.3 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 120.943 0.401 . . . . 34.73 111.405 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.35 -39.97 94.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.409 -0.516 . . . . 34.0 111.483 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.24 95.41 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.606 -0.838 . . . . 32.86 111.045 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' A' ' 101' ' ' HOH . 30.2 mttp -58.44 -39.87 81.02 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.113 -0.635 . . . . 68.4 110.915 175.853 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.15 -39.6 94.37 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.265 -0.574 . . . . 74.26 110.458 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.78 -42.17 95.28 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.53 -0.868 . . . . 31.75 111.064 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -58.92 -42.25 89.25 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.453 -0.499 . . . . 51.99 110.891 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.38 98.26 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 120.647 -0.421 . . . . 33.02 111.153 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.11 -38.62 91.71 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.312 -0.555 . . . . 34.79 111.064 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.9 81.81 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.985 -0.686 . . . . 33.75 110.723 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -75.55 -27.99 58.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.775 -0.77 . . . . 38.34 111.283 -174.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -61.43 -39.5 91.04 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.434 -0.906 . . . . 64.02 110.504 170.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp -66.9 -42.56 85.27 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.621 -0.432 . . . . 41.34 110.707 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 37.0 mttm -54.33 -45.05 72.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.568 -0.453 . . . . 62.52 110.695 173.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.72 68.64 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.85 -0.34 . . . . 54.76 111.108 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.13 -34.26 68.21 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.13 -0.628 . . . . 58.55 111.585 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.01 69.63 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.501 0.556 . . . . 77.14 112.501 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 25' ' ' LYS . 16.2 mm-40 -68.05 -38.71 82.78 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.281 -0.968 . . . . 74.58 111.364 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 121.268 -0.491 . . . . 89.49 112.628 177.035 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 120.667 0.037 . . . . 66.59 113.184 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.72 -40.71 95.79 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.481 -0.488 . . . . 84.55 111.649 -172.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 3' ' ' LEU . 14.2 tp -65.56 -42.72 91.5 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.221 -0.591 . . . . 46.57 111.531 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.88 -40.77 94.25 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.947 -0.301 . . . . 97.93 111.159 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.57 86.35 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.818 -0.753 . . . . 41.23 111.247 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.11 -39.07 86.62 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.271 -0.572 . . . . 68.97 110.732 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.04 81.48 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.118 -0.633 . . . . 38.15 111.192 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' B' ' 107' ' ' HOH . 19.0 mm100 -66.17 -42.81 88.42 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.037 -0.414 . . . . 74.1 111.232 177.21 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.64 -42.0 87.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.706 0.288 . . . . 67.53 111.164 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.25 -37.37 87.0 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.448 -0.501 . . . . 47.68 111.499 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.9 -38.28 82.77 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.287 -0.565 . . . . 52.81 110.89 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.31 93.93 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.943 -0.703 . . . . 34.48 110.932 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.83 -35.65 72.55 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.071 -0.652 . . . . 46.61 111.475 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.46 87.92 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.745 -0.782 . . . . 29.49 111.171 174.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.445 -0.502 . . . . 37.37 110.821 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -62.2 -35.45 78.89 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.55 -0.86 . . . . 72.35 110.97 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp -65.41 -43.01 91.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.815 -0.754 . . . . 47.38 111.364 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.75 -38.63 85.84 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.205 -0.598 . . . . 40.92 111.262 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.82 93.75 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.722 0.296 . . . . 29.43 111.271 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.08 -33.5 73.64 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.313 -0.955 . . . . 34.95 111.349 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.78 94.57 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.689 -0.404 . . . . 29.12 111.015 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -67.77 -35.76 79.28 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.797 -0.761 . . . . 46.03 111.126 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . 0.421 ' HG3' HD11 ' D' ' 6' ' ' LEU . 41.6 tptt -64.23 -39.89 94.9 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.23 -1.388 . . . . 77.35 110.362 176.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.99 -41.69 98.32 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 122.162 -0.336 . . . . 33.25 111.442 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.91 -39.15 91.0 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.177 -0.609 . . . . 40.92 111.47 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -46.15 84.42 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.622 -0.431 . . . . 35.99 110.799 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.54 -40.33 94.31 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 121.121 -0.232 . . . . 47.82 111.498 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.49 69.39 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.537 -0.465 . . . . 59.66 111.648 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -97.16 -27.74 14.42 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.34 0.867 . . . . 76.04 113.34 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.296 0 CA-C-N 118.268 0.486 . . . . 83.93 114.241 -176.355 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 63.97 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.16 65.06 Favored Glycine 0 C--N 1.335 0.517 0 N-CA-C 109.498 -1.441 . . . . 68.78 109.498 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.16 -37.12 75.13 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.568 -0.316 . . . . 100.0 111.415 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.43 -44.19 97.03 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.845 -0.742 . . . . 41.31 110.938 175.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -38.49 91.17 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.875 -0.73 . . . . 85.01 111.12 178.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.16 97.81 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.982 -0.687 . . . . 40.34 111.047 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.63 -41.79 99.21 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.107 -0.637 . . . . 42.31 110.902 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.97 91.33 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 120.507 -0.477 . . . . 32.57 111.177 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -61.8 -35.47 78.29 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.09 -0.644 . . . . 71.09 111.377 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.38 -40.96 98.64 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.831 -0.748 . . . . 58.16 110.753 174.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.26 -37.97 89.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.464 -0.894 . . . . 34.02 110.841 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.75 -45.57 82.07 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.803 -0.359 . . . . 76.81 111.469 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.57 0.224 . . . . 37.15 111.569 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.39 -42.56 87.7 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.367 -0.533 . . . . 38.96 111.23 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.93 78.95 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.129 -0.628 . . . . 32.87 111.11 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.27 -42.08 99.03 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.185 -0.606 . . . . 51.18 111.376 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.58 -36.0 82.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.714 -0.394 . . . . 59.46 111.707 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.68 -43.96 87.71 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.602 -0.839 . . . . 28.98 110.743 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.9 -42.48 93.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.661 -0.415 . . . . 73.21 110.535 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.93 85.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.704 -0.398 . . . . 34.39 110.882 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.84 -42.5 81.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 120.897 -0.321 . . . . 37.05 111.318 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.74 88.59 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.84 -0.744 . . . . 30.39 111.369 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -57.8 -41.23 81.71 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 119.634 -0.826 . . . . 41.85 110.696 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.2 -37.13 84.84 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.959 -0.696 . . . . 36.08 111.015 -179.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LEU . . . . . 0.421 HD21 HD21 ' D' ' 24' ' ' LEU . 70.9 mt -62.77 -43.03 99.86 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.888 -0.725 . . . . 33.54 110.844 177.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.76 -44.7 95.51 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.899 -0.32 . . . . 69.76 111.19 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.07 -47.05 72.09 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.127 0.489 . . . . 37.64 111.555 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.39 -41.64 89.06 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.026 -0.67 . . . . 46.63 111.152 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' B' ' 3' ' ' LEU . . . -62.78 -41.26 99.17 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.985 -0.686 . . . . 46.28 111.49 -179.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -73.62 -40.26 63.94 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 111.982 0.364 . . . . 85.58 111.982 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.39 -179.93 49.42 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.132 0.413 . . . . 62.57 114.132 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.43 4.105 0 CA-C-N 113.457 -1.371 . . . . 42.98 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 82.19 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . 58.51 -119.22 16.38 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.129 0.871 . . . . 83.7 113.751 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.95 -40.15 96.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.861 -0.335 . . . . 94.46 111.556 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.95 -38.21 82.54 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.672 -0.811 . . . . 49.63 111.455 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.13 -40.17 78.43 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 118.759 -1.177 . . . . 91.36 110.71 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.76 76.43 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 119.882 -0.727 . . . . 40.69 110.555 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . 0.421 HD11 ' HG3' ' B' ' 23' ' ' LYS . 2.9 mt -68.48 -40.52 80.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.846 -0.742 . . . . 63.52 111.593 179.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.54 78.64 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 120.012 -0.675 . . . . 38.01 111.276 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.07 -40.29 97.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.707 0.289 . . . . 86.33 110.83 176.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.87 -39.2 93.65 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.595 -0.842 . . . . 62.54 110.792 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.45 -38.01 83.84 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.58 -0.448 . . . . 34.92 111.696 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' GLU . . . . . 0.651 ' OE2' ' O ' ' D' ' 101' ' ' HOH . 36.3 mt-10 -58.38 -47.31 84.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.946 0.403 . . . . 54.87 110.716 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.47 98.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.495 -0.32 . . . . 33.43 111.154 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.53 -39.44 94.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.249 -0.58 . . . . 65.51 111.024 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.69 90.99 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.237 -0.585 . . . . 29.53 111.159 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.96 -36.65 84.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.151 -0.62 . . . . 40.39 111.322 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -65.82 -38.23 88.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.081 -0.648 . . . . 66.35 111.01 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.29 -36.89 85.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.304 -0.958 . . . . 37.98 110.93 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -64.7 -42.49 95.26 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.213 -0.595 . . . . 57.11 111.036 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.75 79.02 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.388 -0.525 . . . . 31.78 110.665 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.12 -43.02 96.59 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.943 -0.703 . . . . 42.46 111.186 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ALA . . . . . 0.43 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -56.78 -44.25 81.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.968 0.413 . . . . 34.24 111.155 178.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 22' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.63 -34.35 71.98 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.08 -1.048 . . . . 45.95 110.928 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -61.38 -38.52 87.32 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.189 -1.005 . . . . 69.86 110.553 173.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 3' ' ' LEU . 12.4 tp -65.77 -43.48 88.73 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.527 -0.469 . . . . 62.13 111.31 179.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 25' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.16 -41.35 92.62 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.348 -0.541 . . . . 42.71 111.297 176.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.1 85.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.21 -0.596 . . . . 38.44 110.816 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.52 -39.24 77.64 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.337 -0.545 . . . . 53.0 111.308 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' ALA . . . . . 0.412 ' HA ' HD23 ' A' ' 3' ' ' LEU . . . -59.93 -20.19 55.99 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.518 -0.473 . . . . 55.65 111.884 178.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -103.5 -25.74 13.11 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.487 0.921 . . . . 83.3 113.487 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.317 0 N-CA-C 114.349 0.5 . . . . 80.46 114.349 -175.236 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.675 ' O ' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.436 ' O ' ' HG2' ' B' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . 0.651 ' O ' ' OE2' ' D' ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 75.019999999999996 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . 54.48 -123.36 27.9 Favored Glycine 0 C--N 1.34 0.758 0 C-N-CA 125.612 1.577 . . . . 70.230000000000004 113.466 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.87 -36.29 77.93 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 119.979 -0.689 . . . . 56.619999999999997 111.657 178.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.531 HD11 HD11 ' B' ' 3' ' ' LEU . 19.9 tp -64.5 -38.55 91.41 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 119.897 -0.721 . . . . 59.850000000000001 111.149 -178.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -65.72 -41.48 92.2 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 119.991 -0.684 . . . . 68.049999999999997 111.017 175.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.16 -43.87 82.95 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.835 -0.746 . . . . 40.200000000000003 111.055 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.21 -32.41 73.45 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.266 -0.574 . . . . 37.460000000000001 111.312 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HA ' HD23 ' D' ' 24' ' ' LEU . . . -69.3 -41.5 76.68 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.452 -0.499 . . . . 32.259999999999998 110.873 179.131 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -65.86 -35.49 80.8 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.534 -0.467 . . . . 90.019999999999996 111.883 175.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -65.25 -39.14 92.26 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 118.631 -1.228 . . . . 53.840000000000003 111.084 175.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' D' ' 21' ' ' ALA . 36.4 tp -65.58 -39.17 91.33 Favored 'General case' 0 C--O 1.241 0.615 0 C-N-CA 120.147 -0.621 . . . . 34.969999999999999 111.352 -179.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -61.39 -42.85 99.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.01 -0.676 . . . . 77.299999999999997 111.032 174.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.96 87.3 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-O 120.943 0.401 . . . . 34.729999999999997 111.405 175.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.35 -39.97 94.94 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.409 -0.516 . . . . 34.0 111.483 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -45.24 95.41 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.606 -0.838 . . . . 32.859999999999999 111.045 177.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.682 ' NZ ' ' O ' ' A' ' 101' ' ' HOH . 30.2 mttp -58.44 -39.87 81.02 Favored 'General case' 0 C--O 1.241 0.619 0 C-N-CA 120.113 -0.635 . . . . 68.400000000000006 110.915 175.853 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tptm -64.15 -39.6 94.37 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.265 -0.574 . . . . 74.260000000000005 110.458 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 34.7 tp -64.78 -42.17 95.28 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.53 -0.868 . . . . 31.75 111.064 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -58.92 -42.25 89.25 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.453 -0.499 . . . . 51.990000000000002 110.891 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.81 -43.38 98.26 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 120.647 -0.421 . . . . 33.020000000000003 111.153 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.2 mt -64.11 -38.62 91.71 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.312 -0.555 . . . . 34.789999999999999 111.064 178.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.9 81.81 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 119.985 -0.686 . . . . 33.75 110.723 176.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 m95 -75.55 -27.99 58.85 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.775 -0.77 . . . . 38.340000000000003 111.283 -174.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -61.43 -39.5 91.04 Favored 'General case' 0 C--O 1.239 0.507 0 C-N-CA 119.434 -0.906 . . . . 64.019999999999996 110.504 170.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.0 tp -66.9 -42.56 85.27 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.621 -0.432 . . . . 41.340000000000003 110.707 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 37.0 mttm -54.33 -45.05 72.59 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.568 -0.453 . . . . 62.520000000000003 110.695 173.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.56 -51.72 68.64 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 120.85 -0.34 . . . . 54.759999999999998 111.108 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.5 mt -57.13 -34.26 68.21 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.13 -0.628 . . . . 58.549999999999997 111.585 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.89 -31.01 69.63 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.501 0.556 . . . . 77.140000000000001 112.501 -176.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 25' ' ' LYS . 16.2 mm-40 -68.05 -38.71 82.78 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.281 -0.968 . . . . 74.579999999999998 111.364 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.377 0 C-N-CA 121.268 -0.491 . . . . 89.489999999999995 112.628 177.035 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.675 ' N ' ' O ' ' B' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 120.667 0.037 . . . . 66.590000000000003 113.184 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -64.72 -40.71 95.79 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 120.481 -0.488 . . . . 84.549999999999997 111.649 -172.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.531 HD11 HD11 ' A' ' 3' ' ' LEU . 14.2 tp -65.56 -42.72 91.5 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 120.221 -0.591 . . . . 46.57 111.531 -177.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -60.88 -40.77 94.25 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.947 -0.301 . . . . 97.930000000000007 111.159 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -66.96 -38.57 86.35 Favored 'General case' 0 C--O 1.24 0.579 0 C-N-CA 119.818 -0.753 . . . . 41.229999999999997 111.247 -179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.11 -39.07 86.62 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.271 -0.572 . . . . 68.969999999999999 110.732 178.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.16 -37.04 81.48 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.118 -0.633 . . . . 38.149999999999999 111.192 176.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' B' ' 107' ' ' HOH . 19.0 mm100 -66.17 -42.81 88.42 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.037 -0.414 . . . . 74.099999999999994 111.232 177.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -58.64 -42.0 87.29 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.706 0.288 . . . . 67.530000000000001 111.164 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.25 -37.37 87.0 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.448 -0.501 . . . . 47.68 111.499 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -67.9 -38.28 82.77 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 120.287 -0.565 . . . . 52.810000000000002 110.89 178.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.8 -39.31 93.93 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.943 -0.703 . . . . 34.479999999999997 110.932 175.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 85.0 mt -70.83 -35.65 72.55 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.071 -0.652 . . . . 46.609999999999999 111.475 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.7 -38.46 87.92 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 119.745 -0.782 . . . . 29.489999999999998 111.171 174.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.07 -40.47 87.06 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.445 -0.502 . . . . 37.369999999999997 110.821 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 tttp -62.2 -35.45 78.89 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.55 -0.86 . . . . 72.349999999999994 110.97 174.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 tp -65.41 -43.01 91.94 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.815 -0.754 . . . . 47.380000000000003 111.364 177.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -60.75 -38.63 85.84 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.205 -0.598 . . . . 40.920000000000002 111.262 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.82 93.75 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-O 120.722 0.296 . . . . 29.43 111.271 177.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 67.6 mt -69.08 -33.5 73.64 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.313 -0.955 . . . . 34.950000000000003 111.349 -179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.22 -40.78 94.57 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.689 -0.404 . . . . 29.120000000000001 111.015 176.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -67.77 -35.76 79.28 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 119.797 -0.761 . . . . 46.030000000000001 111.126 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . 0.421 ' HG3' HD11 ' D' ' 6' ' ' LEU . 41.6 tptt -64.23 -39.89 94.9 Favored 'General case' 0 C--O 1.238 0.472 0 C-N-CA 118.23 -1.388 . . . . 77.349999999999994 110.362 176.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -61.99 -41.69 98.32 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 122.162 -0.336 . . . . 33.25 111.442 176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.91 -39.15 91.0 Favored 'General case' 0 C--O 1.239 0.526 0 C-N-CA 120.177 -0.609 . . . . 40.920000000000002 111.47 177.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.44 -46.15 84.42 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.622 -0.431 . . . . 35.990000000000002 110.799 178.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.54 -40.33 94.31 Favored 'General case' 0 C--O 1.238 0.481 0 C-N-CA 121.121 -0.232 . . . . 47.82 111.498 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.48 -31.49 69.39 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.537 -0.465 . . . . 59.659999999999997 111.648 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -97.16 -27.74 14.42 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 113.34 0.867 . . . . 76.040000000000006 113.34 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 0.296 0 CA-C-N 118.268 0.486 . . . . 83.930000000000007 114.241 -176.355 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.177 . . . . . . . . 63.969999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . -70.45 -42.16 65.06 Favored Glycine 0 C--N 1.335 0.517 0 N-CA-C 109.498 -1.441 . . . . 68.780000000000001 109.498 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -70.16 -37.12 75.13 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.568 -0.316 . . . . 100.0 111.415 174.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.43 -44.19 97.03 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 119.845 -0.742 . . . . 41.310000000000002 110.938 175.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -38.49 91.17 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.875 -0.73 . . . . 85.010000000000005 111.12 178.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.88 -41.16 97.81 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 119.982 -0.687 . . . . 40.340000000000003 111.047 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -62.63 -41.79 99.21 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.107 -0.637 . . . . 42.310000000000002 110.902 177.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.97 91.33 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 120.507 -0.477 . . . . 32.57 111.177 178.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -61.8 -35.47 78.29 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.09 -0.644 . . . . 71.090000000000003 111.377 177.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -63.38 -40.96 98.64 Favored 'General case' 0 C--O 1.24 0.565 0 C-N-CA 119.831 -0.748 . . . . 58.159999999999997 110.753 174.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.26 -37.97 89.34 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.464 -0.894 . . . . 34.020000000000003 110.841 178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -65.75 -45.57 82.07 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.803 -0.359 . . . . 76.810000000000002 111.469 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.86 -43.42 73.08 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 120.57 0.224 . . . . 37.149999999999999 111.569 174.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -66.39 -42.56 87.7 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.367 -0.533 . . . . 38.960000000000001 111.23 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.27 -36.93 78.95 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 120.129 -0.628 . . . . 32.869999999999997 111.11 177.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -62.27 -42.08 99.03 Favored 'General case' 0 C--O 1.238 0.499 0 C-N-CA 120.185 -0.606 . . . . 51.18 111.376 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 91.8 mttt -65.58 -36.0 82.47 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.714 -0.394 . . . . 59.460000000000001 111.707 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 97.0 mt -65.68 -43.96 87.71 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.602 -0.839 . . . . 28.98 110.743 178.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.9 -42.48 93.95 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.661 -0.415 . . . . 73.209999999999994 110.535 177.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.27 -36.93 85.61 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.704 -0.398 . . . . 34.390000000000001 110.882 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.84 -42.5 81.32 Favored 'General case' 0 C--O 1.242 0.684 0 C-N-CA 120.897 -0.321 . . . . 37.049999999999997 111.318 176.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.74 88.59 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 119.84 -0.744 . . . . 30.390000000000001 111.369 177.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -57.8 -41.23 81.71 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 119.634 -0.826 . . . . 41.850000000000001 110.696 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -66.2 -37.13 84.84 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 119.959 -0.696 . . . . 36.079999999999998 111.015 -179.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LEU . . . . . 0.421 HD21 HD21 ' D' ' 24' ' ' LEU . 70.9 mt -62.77 -43.03 99.86 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.888 -0.725 . . . . 33.539999999999999 110.844 177.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -62.76 -44.7 95.51 Favored 'General case' 0 C--O 1.236 0.343 0 C-N-CA 120.899 -0.32 . . . . 69.760000000000005 111.19 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.07 -47.05 72.09 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.127 0.489 . . . . 37.640000000000001 111.555 176.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 81.0 mt -66.39 -41.64 89.06 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.026 -0.67 . . . . 46.630000000000003 111.152 -179.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.469 ' HB2' HD23 ' B' ' 3' ' ' LEU . . . -62.78 -41.26 99.17 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 119.985 -0.686 . . . . 46.280000000000001 111.49 -179.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -73.62 -40.26 63.94 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 111.982 0.364 . . . . 85.579999999999998 111.982 -175.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' GLY . . . . . . . . . . . . . . . -86.39 -179.93 49.42 Favored Glycine 0 N--CA 1.452 -0.292 0 N-CA-C 114.132 0.413 . . . . 62.57 114.132 -176.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.43 4.105 0 CA-C-N 113.457 -1.371 . . . . 42.979999999999997 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 . . . . . . . . 82.189999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' GLY . . . . . . . . . . . . . . . 58.51 -119.22 16.38 Favored Glycine 0 C--N 1.338 0.672 0 C-N-CA 124.129 0.871 . . . . 83.700000000000003 113.751 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -62.95 -40.15 96.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.861 -0.335 . . . . 94.459999999999994 111.556 177.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 94.0 mt -67.95 -38.21 82.54 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.672 -0.811 . . . . 49.630000000000003 111.455 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.13 -40.17 78.43 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 118.759 -1.177 . . . . 91.359999999999999 110.71 177.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.88 -42.76 76.43 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 119.882 -0.727 . . . . 40.689999999999998 110.555 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . 0.421 HD11 ' HG3' ' B' ' 23' ' ' LYS . 2.9 mt -68.48 -40.52 80.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 119.846 -0.742 . . . . 63.520000000000003 111.593 179.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -60.52 -36.54 78.64 Favored 'General case' 0 C--O 1.241 0.623 0 C-N-CA 120.012 -0.675 . . . . 38.009999999999998 111.276 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.07 -40.29 97.23 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 120.707 0.289 . . . . 86.329999999999998 110.83 176.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -63.87 -39.2 93.65 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 119.595 -0.842 . . . . 62.539999999999999 110.792 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.45 -38.01 83.84 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 120.58 -0.448 . . . . 34.920000000000002 111.696 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.651 ' OE2' ' O ' ' D' ' 101' ' ' HOH . 36.3 mt-10 -58.38 -47.31 84.25 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.946 0.403 . . . . 54.869999999999997 110.716 176.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.49 -41.47 98.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.495 -0.32 . . . . 33.43 111.154 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LEU . . . . . . . . . . . . . 10.8 tp -63.53 -39.44 94.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.249 -0.58 . . . . 65.510000000000005 111.024 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.62 -41.69 90.99 Favored 'General case' 0 C--O 1.24 0.577 0 C-N-CA 120.237 -0.585 . . . . 29.530000000000001 111.159 174.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -63.96 -36.65 84.66 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.151 -0.62 . . . . 40.390000000000001 111.322 177.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -65.82 -38.23 88.38 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 120.081 -0.648 . . . . 66.349999999999994 111.01 175.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 14.9 mt -65.29 -36.89 85.46 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 119.304 -0.958 . . . . 37.979999999999997 110.93 179.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -64.7 -42.49 95.26 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.213 -0.595 . . . . 57.109999999999999 111.036 176.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.75 79.02 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.388 -0.525 . . . . 31.780000000000001 110.665 175.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' LEU . . . . . . . . . . . . . 14.6 mt -64.12 -43.02 96.59 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 119.943 -0.703 . . . . 42.460000000000001 111.186 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.43 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -56.78 -44.25 81.68 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 120.968 0.413 . . . . 34.240000000000002 111.155 178.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' TRP . . . . . . . . . . . . . 69.5 m95 -70.63 -34.35 71.98 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 119.08 -1.048 . . . . 45.950000000000003 110.928 -178.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -61.38 -38.52 87.32 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.189 -1.005 . . . . 69.859999999999999 110.553 173.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' LEU . . . . . 0.433 HD11 HD11 ' A' ' 3' ' ' LEU . 12.4 tp -65.77 -43.48 88.73 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.527 -0.469 . . . . 62.130000000000003 111.31 179.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.16 -41.35 92.62 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.348 -0.541 . . . . 42.710000000000001 111.297 176.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.64 -41.1 85.23 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.21 -0.596 . . . . 38.439999999999998 110.816 174.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 36.4 mt -69.52 -39.24 77.64 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.337 -0.545 . . . . 53.0 111.308 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' ALA . . . . . 0.412 ' HA ' HD23 ' A' ' 3' ' ' LEU . . . -59.93 -20.19 55.99 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.518 -0.473 . . . . 55.649999999999999 111.884 178.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -103.5 -25.74 13.11 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 113.487 0.921 . . . . 83.299999999999997 113.487 179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 0.317 0 N-CA-C 114.349 0.5 . . . . 80.459999999999994 114.349 -175.236 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.682 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.675 ' O ' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.436 ' O ' ' HG2' ' B' ' 8' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . 0.651 ' O ' ' OE2' ' D' ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_