data_6u47_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 6u47 _Structure_validation_residue.Date_analyzed 2020-04-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 58.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.11 -50.38 73.68 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.994 1.317 . . . . 55.47 112.935 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.82 -35.05 38.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 O-C-N 123.532 0.52 . . . . 36.88 111.732 -167.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.69 -45.67 78.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.436 -0.906 . . . . 58.15 111.074 174.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.97 97.58 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.782 -0.767 . . . . 32.32 110.967 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.81 -40.98 90.21 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.734 -0.786 . . . . 34.89 111.231 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -59.12 -42.86 91.58 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.275 -0.57 . . . . 49.66 110.742 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -67.69 -41.03 84.3 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.944 -0.302 . . . . 49.19 111.013 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -68.92 -40.15 79.24 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.878 -0.729 . . . . 39.59 110.595 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.9 t -61.83 -41.02 89.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 119.145 -1.022 . . . . 25.61 110.289 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . 0.758 ' OE2' ' O ' ' A' ' 101' ' ' HOH . 72.6 mt-10 -65.14 -40.86 94.99 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.827 -0.545 . . . . 44.75 111.217 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.59 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.325 -0.55 . . . . 23.3 110.699 172.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.22 -41.38 97.04 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.683 0.278 . . . . 22.17 111.416 -177.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.76 -44.93 93.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.24 -0.584 . . . . 31.98 111.078 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.41 81.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.014 -0.674 . . . . 18.27 110.532 177.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.621 ' NZ ' ' O ' ' A' ' 102' ' ' HOH . 53.4 mttt -63.06 -37.39 87.0 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.366 -0.534 . . . . 24.31 111.512 -179.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.88 -34.83 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 118.448 -1.301 . . . . 22.31 110.353 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -64.08 -46.05 86.01 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.1 -1.04 . . . . 32.1 110.969 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 104' ' ' HOH . 11.0 mmtt -61.3 -39.37 90.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 119.114 -1.034 . . . . 49.3 111.979 177.931 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.23 -38.86 88.93 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.855 -0.738 . . . . 20.6 111.044 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.19 -46.14 89.2 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.004 -0.678 . . . . 21.34 111.175 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.92 -49.59 76.84 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.621 -0.432 . . . . 32.0 110.553 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -60.25 -42.72 95.92 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.885 -0.726 . . . . 34.78 111.075 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.6 t -71.39 -36.67 62.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.502 -0.479 . . . . 22.22 110.575 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.54 -33.35 75.69 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 119.807 -0.757 . . . . 32.35 110.797 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.59 73.3 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.596 -0.842 . . . . 25.22 111.231 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 mt -67.05 -44.16 80.88 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.784 -0.766 . . . . 30.54 111.091 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.1 -41.43 97.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.649 -0.821 . . . . 44.11 111.9 -179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -86.33 -9.81 55.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.6 -0.687 . . . . 28.98 112.458 -178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 30.53 76.66 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.938 -0.648 . . . . 32.96 114.092 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -59.01 146.26 38.85 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.121 0.96 . . . . 38.05 110.601 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 54.73 39.43 31.33 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.319 -0.855 . . . . 44.19 112.158 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.43 60.43 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 115.886 1.114 . . . . 49.61 115.886 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 118.367 1.084 . . . . 53.46 110.366 -179.381 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.327 . . . . . . . . 43.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.334 -0.229 . . . . 59.05 111.012 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.1 -43.14 85.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 120.429 -0.508 . . . . 36.12 110.686 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.03 -32.68 70.93 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 118.681 -1.207 . . . . 58.47 111.781 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.85 95.84 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 120.424 -0.511 . . . . 32.55 110.978 170.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.11 -37.01 81.24 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.882 -0.327 . . . . 35.49 111.254 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -69.24 -36.45 77.2 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.977 -0.689 . . . . 47.47 110.944 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . 0.547 ' NZ ' ' O ' ' B' ' 101' ' ' HOH . 3.1 mttt -62.15 -48.02 81.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.405 -0.518 . . . . 39.13 109.873 178.162 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -62.2 -45.06 95.04 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.991 0.424 . . . . 34.97 111.137 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.68 -44.88 82.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 CA-C-O 121.122 0.487 . . . . 25.5 110.315 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -42.12 94.85 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.676 -0.81 . . . . 38.17 111.459 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.1 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.17 -1.012 . . . . 27.26 110.265 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -66.51 -43.66 84.67 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.053 -0.404 . . . . 25.17 111.076 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -60.99 -37.64 83.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.851 -0.739 . . . . 34.29 110.901 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.4 72.17 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.274 -0.97 . . . . 20.14 110.477 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.45 -36.21 82.98 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.026 -0.67 . . . . 23.52 110.998 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.46 -47.35 59.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.791 -0.764 . . . . 20.43 110.282 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -54.07 -37.26 64.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.048 -0.661 . . . . 33.73 110.791 175.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -75.25 -36.31 61.29 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.829 -1.148 . . . . 42.57 111.648 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.9 -44.16 97.53 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.219 -0.592 . . . . 19.75 111.279 172.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -56.49 -43.95 80.18 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.37 -0.532 . . . . 21.1 111.512 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.74 -42.62 97.84 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.997 -0.439 . . . . 36.24 111.004 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.93 -41.08 87.61 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.519 -0.472 . . . . 28.77 111.525 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -73.35 -37.74 52.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 121.8 -0.563 . . . . 22.72 110.713 -176.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -60.72 -40.91 94.11 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 119.509 -0.876 . . . . 30.99 110.757 175.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.77 -46.54 90.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.716 -0.793 . . . . 27.96 111.003 176.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.36 -48.57 81.14 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.275 -0.57 . . . . 33.35 110.754 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.86 -38.59 91.67 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.141 -0.349 . . . . 40.92 111.907 -176.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -87.58 -6.11 58.45 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.599 0.592 . . . . 28.74 112.599 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.01 23.33 67.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 119.984 -1.103 . . . . 39.43 114.142 -178.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -55.04 145.12 21.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 117.952 0.876 . . . . 39.7 109.827 176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 60.22 50.48 6.28 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.599 0.714 . . . . 49.88 112.063 167.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.96 11.2 74.02 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 116.517 1.367 . . . . 58.55 116.517 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 118.815 1.307 . . . . 48.14 110.626 178.522 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.758 ' O ' ' OE2' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . 0.621 ' O ' ' NZ ' ' A' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . 0.49 ' O ' ' NZ ' ' A' ' 18' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 101' ' ' HOH . . . . . 0.547 ' O ' ' NZ ' ' B' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 58.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.11 -50.38 73.68 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.994 1.317 . . . . 55.47 112.935 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.82 -35.05 38.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 O-C-N 123.532 0.52 . . . . 36.88 111.732 -167.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.69 -45.67 78.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.436 -0.906 . . . . 58.15 111.074 174.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.97 97.58 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.782 -0.767 . . . . 32.32 110.967 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.81 -40.98 90.21 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.734 -0.786 . . . . 34.89 111.231 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -59.12 -42.86 91.58 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.275 -0.57 . . . . 49.66 110.742 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -67.69 -41.03 84.3 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.944 -0.302 . . . . 49.19 111.013 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -68.92 -40.15 79.24 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.878 -0.729 . . . . 39.59 110.595 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.9 t -61.83 -41.02 89.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 119.145 -1.022 . . . . 25.61 110.289 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.758 ' OE2' ' O ' ' A' ' 101' ' ' HOH . 72.6 mt-10 -65.14 -40.86 94.99 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.827 -0.545 . . . . 44.75 111.217 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.59 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.325 -0.55 . . . . 23.3 110.699 172.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.22 -41.38 97.04 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.683 0.278 . . . . 22.17 111.416 -177.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.76 -44.93 93.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.24 -0.584 . . . . 31.98 111.078 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.41 81.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.014 -0.674 . . . . 18.27 110.532 177.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -63.06 -37.39 87.0 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.366 -0.534 . . . . 24.31 111.512 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.88 -34.83 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 118.448 -1.301 . . . . 22.31 110.353 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -64.08 -46.05 86.01 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.1 -1.04 . . . . 32.1 110.969 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.3 -39.37 90.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 119.114 -1.034 . . . . 49.3 111.979 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.23 -38.86 88.93 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.855 -0.738 . . . . 20.6 111.044 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.19 -46.14 89.2 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.004 -0.678 . . . . 21.34 111.175 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.92 -49.59 76.84 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.621 -0.432 . . . . 32.0 110.553 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -60.25 -42.72 95.92 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.885 -0.726 . . . . 34.78 111.075 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.6 t -71.39 -36.67 62.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.502 -0.479 . . . . 22.22 110.575 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.54 -33.35 75.69 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 119.807 -0.757 . . . . 32.35 110.797 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.59 73.3 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.596 -0.842 . . . . 25.22 111.231 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 mt -67.05 -44.16 80.88 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.784 -0.766 . . . . 30.54 111.091 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.1 -41.43 97.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.649 -0.821 . . . . 44.11 111.9 -179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -86.33 -9.81 55.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.6 -0.687 . . . . 28.98 112.458 -178.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 30.53 76.66 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.938 -0.648 . . . . 32.96 114.092 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -59.01 146.26 38.85 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.121 0.96 . . . . 38.05 110.601 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 54.73 39.43 31.33 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.319 -0.855 . . . . 44.19 112.158 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.43 60.43 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 115.886 1.114 . . . . 49.61 115.886 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 118.367 1.084 . . . . 53.46 110.366 -179.381 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.327 . . . . . . . . 43.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.334 -0.229 . . . . 59.05 111.012 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.1 -43.14 85.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 120.429 -0.508 . . . . 36.12 110.686 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.03 -32.68 70.93 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 118.681 -1.207 . . . . 58.47 111.781 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.85 95.84 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 120.424 -0.511 . . . . 32.55 110.978 170.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.11 -37.01 81.24 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.882 -0.327 . . . . 35.49 111.254 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -69.24 -36.45 77.2 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.977 -0.689 . . . . 47.47 110.944 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.15 -48.02 81.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.405 -0.518 . . . . 39.13 109.873 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -62.2 -45.06 95.04 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.991 0.424 . . . . 34.97 111.137 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.68 -44.88 82.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 CA-C-O 121.122 0.487 . . . . 25.5 110.315 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -42.12 94.85 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.676 -0.81 . . . . 38.17 111.459 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.1 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.17 -1.012 . . . . 27.26 110.265 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -66.51 -43.66 84.67 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.053 -0.404 . . . . 25.17 111.076 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -60.99 -37.64 83.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.851 -0.739 . . . . 34.29 110.901 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.4 72.17 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.274 -0.97 . . . . 20.14 110.477 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.45 -36.21 82.98 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.026 -0.67 . . . . 23.52 110.998 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.46 -47.35 59.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.791 -0.764 . . . . 20.43 110.282 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -54.07 -37.26 64.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.048 -0.661 . . . . 33.73 110.791 175.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -75.25 -36.31 61.29 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.829 -1.148 . . . . 42.57 111.648 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.9 -44.16 97.53 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.219 -0.592 . . . . 19.75 111.279 172.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -56.49 -43.95 80.18 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.37 -0.532 . . . . 21.1 111.512 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.74 -42.62 97.84 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.997 -0.439 . . . . 36.24 111.004 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.93 -41.08 87.61 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.519 -0.472 . . . . 28.77 111.525 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -73.35 -37.74 52.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 121.8 -0.563 . . . . 22.72 110.713 -176.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -60.72 -40.91 94.11 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 119.509 -0.876 . . . . 30.99 110.757 175.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . 0.442 ' HA ' ' CE3' ' B' ' 30' ' ' TRP . . . -60.77 -46.54 90.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.716 -0.793 . . . . 27.96 111.003 176.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.36 -48.57 81.14 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.275 -0.57 . . . . 33.35 110.754 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.86 -38.59 91.67 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.141 -0.349 . . . . 40.92 111.907 -176.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -87.58 -6.11 58.45 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.599 0.592 . . . . 28.74 112.599 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.01 23.33 67.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 119.984 -1.103 . . . . 39.43 114.142 -178.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' B' ' 25' ' ' ALA . 38.1 m0 -55.04 145.12 21.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 117.952 0.876 . . . . 39.7 109.827 176.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 60.22 50.48 6.28 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.599 0.714 . . . . 49.88 112.063 167.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.96 11.2 74.02 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 116.517 1.367 . . . . 58.55 116.517 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 118.815 1.307 . . . . 48.14 110.626 178.522 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.758 ' O ' ' OE2' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.241 . . . . . . . . 58.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.11 -50.38 73.68 Favored 'General case' 0 N--CA 1.443 -0.786 0 C-N-CA 124.994 1.317 . . . . 55.469999999999999 112.935 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.6 t -55.82 -35.05 38.54 Favored 'Isoleucine or valine' 0 C--O 1.233 0.204 0 O-C-N 123.532 0.52 . . . . 36.880000000000003 111.732 -167.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.69 -45.67 78.06 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.436 -0.906 . . . . 58.149999999999999 111.074 174.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.97 97.58 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.782 -0.767 . . . . 32.32 110.967 175.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.1 mt -59.81 -40.98 90.21 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 119.734 -0.786 . . . . 34.890000000000001 111.231 179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -59.12 -42.86 91.58 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.275 -0.57 . . . . 49.659999999999997 110.742 179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -67.69 -41.03 84.3 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 120.944 -0.302 . . . . 49.189999999999998 111.013 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -68.92 -40.15 79.24 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 119.878 -0.729 . . . . 39.590000000000003 110.595 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 63.9 t -61.83 -41.02 89.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 119.145 -1.022 . . . . 25.609999999999999 110.289 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.758 ' OE2' ' O ' ' A' ' 101' ' ' HOH . 72.6 mt-10 -65.14 -40.86 94.99 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 121.827 -0.545 . . . . 44.75 111.217 178.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.7 -45.82 81.59 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.325 -0.55 . . . . 23.300000000000001 110.699 172.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.22 -41.38 97.04 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 120.683 0.278 . . . . 22.170000000000002 111.416 -177.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -59.76 -44.93 93.64 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 120.24 -0.584 . . . . 31.98 111.078 179.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.51 -48.41 81.89 Favored 'General case' 0 CA--C 1.517 -0.307 0 C-N-CA 120.014 -0.674 . . . . 18.27 110.532 177.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 53.4 mttt -63.06 -37.39 87.0 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.366 -0.534 . . . . 24.309999999999999 111.512 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 46.1 t -70.88 -34.83 57.44 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 C-N-CA 118.448 -1.301 . . . . 22.309999999999999 110.353 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -64.08 -46.05 86.01 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 119.1 -1.04 . . . . 32.100000000000001 110.969 176.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -61.3 -39.37 90.24 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 119.114 -1.034 . . . . 49.299999999999997 111.979 177.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.23 -38.86 88.93 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 119.855 -0.738 . . . . 20.600000000000001 111.044 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -59.19 -46.14 89.2 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.004 -0.678 . . . . 21.34 111.175 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -60.92 -49.59 76.84 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.621 -0.432 . . . . 32.0 110.553 178.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -60.25 -42.72 95.92 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 119.885 -0.726 . . . . 34.780000000000001 111.075 -179.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 51.6 t -71.39 -36.67 62.01 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 C-N-CA 120.502 -0.479 . . . . 22.219999999999999 110.575 -176.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -64.54 -33.35 75.69 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 119.807 -0.757 . . . . 32.350000000000001 110.797 175.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.79 -37.59 73.3 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 119.596 -0.842 . . . . 25.219999999999999 111.231 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 55.3 mt -67.05 -44.16 80.88 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.784 -0.766 . . . . 30.539999999999999 111.091 175.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.1 -41.43 97.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.649 -0.821 . . . . 44.109999999999999 111.9 -179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -86.33 -9.81 55.68 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 121.6 -0.687 . . . . 28.98 112.458 -178.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.5 30.53 76.66 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.938 -0.648 . . . . 32.960000000000001 114.092 -176.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 40.5 m0 -59.01 146.26 38.85 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 118.121 0.96 . . . . 38.049999999999997 110.601 179.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 54.73 39.43 31.33 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.319 -0.855 . . . . 44.189999999999998 112.158 172.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 67.12 12.43 60.43 Favored Glycine 0 N--CA 1.45 -0.41 0 N-CA-C 115.886 1.114 . . . . 49.609999999999999 115.886 175.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.5 mmm-85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 118.367 1.084 . . . . 53.460000000000001 110.366 -179.381 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.327 . . . . . . . . 43.520000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -62.09 -36.56 82.07 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.334 -0.229 . . . . 59.049999999999997 111.012 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 76.8 t -68.1 -43.14 85.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 120.429 -0.508 . . . . 36.119999999999997 110.686 179.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.03 -32.68 70.93 Favored 'General case' 0 CA--C 1.519 -0.25 0 C-N-CA 118.681 -1.207 . . . . 58.469999999999999 111.781 178.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.65 -41.85 95.84 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 120.424 -0.511 . . . . 32.549999999999997 110.978 170.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 9.3 mt -61.11 -37.01 81.24 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.882 -0.327 . . . . 35.490000000000002 111.254 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -69.24 -36.45 77.2 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 119.977 -0.689 . . . . 47.469999999999999 110.944 -177.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -62.15 -48.02 81.96 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 120.405 -0.518 . . . . 39.130000000000003 109.873 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -62.2 -45.06 95.04 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.991 0.424 . . . . 34.969999999999999 111.137 -175.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 22.8 t -56.68 -44.88 82.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.601 0 CA-C-O 121.122 0.487 . . . . 25.5 110.315 176.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -64.97 -42.12 94.85 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 119.676 -0.81 . . . . 38.170000000000002 111.459 179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.98 -40.1 83.79 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.17 -1.012 . . . . 27.260000000000002 110.265 171.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -66.51 -43.66 84.67 Favored 'General case' 0 C--O 1.238 0.499 0 O-C-N 122.053 -0.404 . . . . 25.170000000000002 111.076 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.5 mt-10 -60.99 -37.64 83.2 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.851 -0.739 . . . . 34.289999999999999 110.901 179.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.76 -46.4 72.17 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 119.274 -0.97 . . . . 20.140000000000001 110.477 179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -63.45 -36.21 82.98 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.026 -0.67 . . . . 23.52 110.998 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 19.3 t -71.46 -47.35 59.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 C-N-CA 119.791 -0.764 . . . . 20.43 110.282 -175.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -54.07 -37.26 64.02 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.048 -0.661 . . . . 33.729999999999997 110.791 175.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 tppp? -75.25 -36.31 61.29 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 118.829 -1.148 . . . . 42.57 111.648 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 89.1 mt -60.9 -44.16 97.53 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 120.219 -0.592 . . . . 19.75 111.279 172.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 88.7 mt-10 -56.49 -43.95 80.18 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.37 -0.532 . . . . 21.100000000000001 111.512 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -63.74 -42.62 97.84 Favored 'General case' 0 C--O 1.237 0.401 0 O-C-N 121.997 -0.439 . . . . 36.240000000000002 111.004 178.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -66.93 -41.08 87.61 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.519 -0.472 . . . . 28.77 111.525 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -73.35 -37.74 52.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 O-C-N 121.8 -0.563 . . . . 22.719999999999999 110.713 -176.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -60.72 -40.91 94.11 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 119.509 -0.876 . . . . 30.989999999999998 110.757 175.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . 0.442 ' HA ' ' CE3' ' B' ' 30' ' ' TRP . . . -60.77 -46.54 90.07 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.716 -0.793 . . . . 27.960000000000001 111.003 176.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.4 mt -59.36 -48.57 81.14 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 120.275 -0.57 . . . . 33.350000000000001 110.754 178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -63.86 -38.59 91.67 Favored 'General case' 0 C--O 1.237 0.435 0 O-C-N 122.141 -0.349 . . . . 40.920000000000002 111.907 -176.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -87.58 -6.11 58.45 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 112.599 0.592 . . . . 28.739999999999998 112.599 -178.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.01 23.33 67.62 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 119.984 -1.103 . . . . 39.43 114.142 -178.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TRP . . . . . 0.442 ' CE3' ' HA ' ' B' ' 25' ' ' ALA . 38.1 m0 -55.04 145.12 21.41 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 117.952 0.876 . . . . 39.700000000000003 109.827 176.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 60.22 50.48 6.28 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.599 0.714 . . . . 49.880000000000003 112.063 167.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.96 11.2 74.02 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 116.517 1.367 . . . . 58.549999999999997 116.517 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 mtm-85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 118.815 1.307 . . . . 48.140000000000001 110.626 178.522 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.758 ' O ' ' OE2' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' 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 ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_