data_6o8o_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 6o8o _Structure_validation_residue.Date_analyzed 2020-03-27 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 ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.369 . . . . 93.78 110.673 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -29.11 64.38 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.22 -0.592 . . . . 119.54 111.077 173.139 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -68.94 -31.25 70.0 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.48 -0.488 . . . . 103.37 111.061 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 10.9 ttm -63.02 -42.18 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.367 -0.208 . . . . 126.05 111.374 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -37.56 87.86 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.362 -0.535 . . . . 81.63 111.356 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.8 m -68.55 -43.6 76.28 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.253 -0.579 . . . . 67.2 111.157 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -66.84 -37.73 85.04 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.219 -0.592 . . . . 75.87 111.244 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.2 86.82 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.551 -0.459 . . . . 58.47 111.431 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -41.39 65.91 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.759 -0.376 . . . . 106.04 111.249 -177.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.11 84.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.642 -0.423 . . . . 45.46 110.965 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.03 84.05 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.622 -0.431 . . . . 51.21 111.2 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -66.26 -35.73 81.18 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.945 -0.702 . . . . 69.24 111.214 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -62.34 -36.57 82.62 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.986 -0.686 . . . . 57.18 111.025 174.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -68.76 -43.23 76.2 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.389 -0.524 . . . . 50.76 111.133 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.45 -35.99 80.3 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.172 -0.611 . . . . 50.12 111.283 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . 0.495 ' NZ ' ' O ' ' A' ' 303' ' ' HOH . 47.8 mttp -58.38 -41.5 84.97 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.454 -0.499 . . . . 71.74 111.095 176.295 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.85 62.77 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.353 0.501 . . . . 54.15 112.353 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.7 mt -104.86 -11.13 16.9 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.843 1.053 . . . . 48.37 113.843 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.13 68.39 6.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 122.624 1.202 . . . . 55.07 109.975 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -159.26 127.69 5.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.842 -1.072 . . . . 70.59 108.171 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.0 -45.14 94.93 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.508 0.505 . . . . 79.24 111.513 -174.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.4 -42.09 96.13 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.118 -1.039 . . . . 50.71 112.867 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -66.37 -40.06 89.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.27 -0.572 . . . . 64.64 111.155 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.82 -31.19 70.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.929 -0.309 . . . . 48.42 111.391 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MSE . . . . . . . . . . . . . 7.2 tpp -69.73 -38.22 76.78 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.737 0.303 . . . . 107.97 110.407 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.75 -42.28 89.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.934 -0.576 . . . . 46.88 110.525 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' MSE . . . . . . . . . . . . . 49.7 mmm -58.54 -44.45 89.63 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.355 0.597 . . . . 62.91 110.675 178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.12 -48.33 82.15 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.742 -1.117 . . . . 53.23 111.549 -179.679 -171.478 61.969 -113.335 104.758 2.033 104.072 -89.734 -40.533 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -59.99 -42.34 94.0 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.745 -0.382 . . . . 54.45 110.766 176.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.63 -16.17 61.72 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.402 0.519 . . . . 50.42 112.402 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.73 65.79 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.377 -0.529 . . . . 53.86 112.164 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.2 p -91.33 8.55 35.51 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.856 0.687 . . . . 54.42 112.856 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.22 169.77 12.86 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.38 0.989 . . . . 43.1 112.151 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.62 142.34 49.72 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.184 -1.008 . . . . 63.31 110.696 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -145.23 150.34 36.52 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.379 -0.6 . . . . 49.58 109.379 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.1 p -87.62 171.02 10.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.896 0.855 . . . . 56.38 110.584 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.78 -44.66 89.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.289 -0.869 . . . . 55.39 110.727 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 p -65.7 -33.94 77.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.939 -0.704 . . . . 74.79 111.54 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.89 -43.25 98.74 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.343 -0.543 . . . . 73.29 111.018 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.22 -39.51 65.46 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.251 -0.58 . . . . 57.23 111.292 179.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.67 -32.59 72.78 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.885 -0.726 . . . . 83.78 111.351 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -71.0 -38.99 72.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.701 -0.4 . . . . 57.6 111.345 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -78.83 -31.06 45.61 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 112.348 0.499 . . . . 66.86 112.348 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -89.79 134.86 33.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 65.01 110.674 -173.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -68.91 -43.08 75.94 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.718 -0.674 . . . . 114.05 111.821 -174.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 p -65.29 170.4 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.133 0.968 . . . . 94.64 111.064 -171.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.61 149.03 49.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.053 -0.976 . . . . 105.24 111.025 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -65.28 -21.08 66.68 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.368 -0.833 . . . . 101.01 112.762 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . 0.733 ' O ' ' O ' ' A' ' 302' ' ' HOH . . . -66.53 -35.2 79.66 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.875 -0.73 . . . . 95.47 111.296 174.404 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.15 -33.78 65.68 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.183 -0.607 . . . . 66.98 111.55 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.21 -46.82 94.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.177 0.513 . . . . 81.69 110.436 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -66.38 -34.54 78.19 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 122.054 -0.404 . . . . 95.62 111.791 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.46 -42.31 83.26 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.149 -0.62 . . . . 103.65 111.058 175.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -64.6 -36.5 84.44 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.319 -0.552 . . . . 73.47 110.987 176.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.5 mt -65.59 -43.79 88.64 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.485 -0.486 . . . . 59.23 111.023 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.95 86.91 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.453 -0.499 . . . . 55.16 111.087 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -66.02 -48.28 71.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.695 -0.402 . . . . 62.33 111.06 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.22 -32.74 71.4 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.459 -0.496 . . . . 54.67 111.501 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -75.83 -46.34 30.98 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.737 -0.385 . . . . 76.35 111.619 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.38 -20.17 65.52 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.392 -0.923 . . . . 52.59 111.98 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . 0.765 ' OE2' ' O ' ' A' ' 301' ' ' HOH . 58.4 mm-40 -83.47 0.6 45.63 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 112.645 0.609 . . . . 81.03 112.645 172.108 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.79 9.64 70.6 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-O 119.476 -0.624 . . . . 51.64 114.633 -177.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.18 -7.76 56.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.988 0.894 . . . . 60.95 113.402 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.21 158.73 11.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 N-CA-C 107.78 -1.193 . . . . 52.26 107.78 170.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -124.62 160.43 28.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.402 0.62 . . . . 67.79 109.573 172.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . 0.508 ' N ' ' O1 ' ' A' ' 202' ' ' SO4 . 3.5 p -133.76 158.11 44.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.78 0.8 . . . . 61.48 110.402 -175.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -150.41 154.91 38.58 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.798 -1.186 . . . . 61.13 107.798 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -114.5 134.39 55.06 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.026 -0.533 . . . . 116.64 109.953 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.45 87.64 2.73 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 106.001 -1.851 . . . . 102.2 106.001 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.85 -113.45 4.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 116.163 -0.471 . . . . 87.4 111.966 -174.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 -1.77 51.5 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.74 0.644 . . . . 84.41 112.74 177.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 m -96.29 141.09 30.05 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.013 0.525 . . . . 84.06 110.202 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.9 mt -119.0 120.35 63.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 107.7 -1.222 . . . . 61.11 107.7 174.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -105.26 141.04 37.48 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.111 0.564 . . . . 72.21 109.94 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -121.59 147.47 45.79 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.817 0.447 . . . . 60.33 110.437 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 p -148.58 172.39 14.6 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.428 0.632 . . . . 51.77 109.397 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.35 -60.43 3.18 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.322 -0.854 . . . . 98.88 112.602 -162.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . 0.539 ' O ' ' OG ' ' A' ' 91' ' ' SER . 1.0 OUTLIER 66.34 11.46 7.97 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.383 1.623 . . . . 80.42 115.383 172.713 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -154.03 110.0 2.48 Favored Pre-proline 0 C--O 1.238 0.47 0 CA-C-N 119.695 1.134 . . . . 66.82 111.346 173.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.35 -26.66 29.28 Favored 'Trans proline' 0 C--O 1.237 0.456 0 N-CA-C 113.834 0.667 . . . . 49.74 113.834 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -65.16 -46.37 81.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.786 0.721 . . . . 51.56 110.917 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.8 75.9 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.524 -0.471 . . . . 48.13 111.672 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.9 82.12 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.132 -0.627 . . . . 41.22 111.135 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -71.39 -37.2 71.57 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.987 -0.685 . . . . 79.64 111.289 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.18 -48.66 82.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.213 0.53 . . . . 50.93 110.164 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.8 t -57.86 -44.61 86.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.163 0.506 . . . . 49.27 110.388 177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -58.3 -36.58 73.55 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 122.159 -0.338 . . . . 79.91 111.331 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.0 m -74.45 -48.69 25.94 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.13 -0.356 . . . . 47.79 111.583 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 m -71.5 -27.01 27.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 120.024 -0.67 . . . . 49.95 111.004 -173.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.3 -10.31 52.65 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.839 0.681 . . . . 50.51 112.839 175.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 52.43 51.44 16.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.888 0.851 . . . . 85.48 110.888 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 61.68 21.83 12.47 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.091 0.956 . . . . 120.98 112.679 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.75 -33.28 75.61 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.45 -0.5 . . . . 53.76 111.63 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.1 m -79.69 -19.88 47.9 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.687 0.625 . . . . 73.24 112.687 177.832 -40.533 -89.734 -113.335 104.072 2.033 104.758 61.969 -171.478 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -67.68 -7.29 25.66 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.457 0.54 . . . . 91.6 112.457 172.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.9 8.92 63.0 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-O 119.169 -0.795 . . . . 113.68 113.815 -166.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.462 0.141 0 CA-C-N 117.913 0.856 . . . . 110.0 110.849 -176.729 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 5.0 ttp . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.119 0.485 . . . . 131.45 111.084 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.13 8.12 39.48 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 119.329 -0.706 . . . . 61.72 114.596 -172.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -57.58 153.64 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.293 1.046 . . . . 89.37 111.456 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.07 -50.36 55.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.758 -1.11 . . . . 96.7 110.489 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.771 -0.372 . . . . 92.14 111.541 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -80.69 -51.27 8.88 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 111.831 0.308 . . . . 112.67 111.831 -175.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' B' ' 302' ' ' HOH . 29.2 mm-40 -66.15 -20.72 66.23 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.134 -0.626 . . . . 62.0 112.12 176.112 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -76.45 -41.26 47.99 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.066 0.394 . . . . 84.35 111.297 173.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.1 m -58.79 -39.42 81.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.448 -0.501 . . . . 78.0 111.083 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.96 -11.09 59.63 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.404 0.89 . . . . 62.23 113.404 -177.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.7 126.26 51.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.709 0.686 . . . . 59.98 110.006 -177.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.96 125.3 26.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.113 -0.494 . . . . 52.14 110.09 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -84.26 118.88 24.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.272 -0.422 . . . . 59.68 110.3 -174.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -26.11 65.49 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.354 0.501 . . . . 80.65 112.354 -177.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -89.07 -23.76 22.46 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.548 -0.861 . . . . 72.64 113.09 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -67.51 -35.12 78.51 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.342 -0.943 . . . . 63.25 110.881 165.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' MSE . . . . . . . . . . . . . 8.2 ttm -65.26 -41.18 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 123.942 0.897 . . . . 82.44 110.193 175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.92 -40.38 92.96 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.002 -0.544 . . . . 45.87 111.148 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 303' ' ' HOH . 54.3 m -64.76 -45.86 84.57 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.854 -0.338 . . . . 58.68 110.912 177.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -66.62 -34.26 77.48 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.212 -0.595 . . . . 74.91 111.642 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.6 87.49 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.374 -0.53 . . . . 45.56 111.373 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -67.88 -43.04 80.26 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.943 -0.703 . . . . 80.0 111.358 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.65 90.41 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.0 -0.68 . . . . 51.02 110.976 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.84 79.35 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.685 -0.406 . . . . 45.23 111.694 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -60.97 -45.42 94.84 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.523 -0.471 . . . . 65.79 110.922 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.41 -33.69 76.55 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.316 -0.554 . . . . 60.63 111.572 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.84 -43.01 76.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.128 -0.629 . . . . 57.0 111.215 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.28 -34.54 72.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.263 -0.575 . . . . 57.15 111.709 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -57.09 -40.71 77.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.51 -0.476 . . . . 54.3 111.088 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -22.36 61.79 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.482 0.549 . . . . 61.01 112.482 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -102.42 -14.39 16.89 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.521 0.934 . . . . 57.4 113.521 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.86 62.01 2.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 122.562 1.172 . . . . 55.25 110.781 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -152.33 127.39 9.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.651 -1.24 . . . . 78.53 107.651 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLU . . . . . 0.766 ' N ' ' O ' ' B' ' 301' ' ' HOH . 82.2 tt0 -63.17 -43.46 98.2 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.595 0.56 . . . . 85.36 111.615 -173.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.99 -46.5 89.06 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.023 -1.084 . . . . 57.79 112.555 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ARG . . . . . . . . . . . . . 82.2 mtm-85 -63.84 -35.88 82.09 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 122.223 -0.575 . . . . 77.59 111.122 177.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.87 -35.5 80.19 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.482 -0.487 . . . . 65.07 111.089 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' MSE . . . . . . . . . . . . . 22.4 mtm -71.8 -35.65 70.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.886 0.374 . . . . 114.44 110.07 -177.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.23 -41.18 90.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.972 -0.558 . . . . 70.55 110.308 174.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' MSE . . . . . . . . . . . . . 5.5 mmt -64.89 -37.95 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.957 -0.465 . . . . 92.56 111.605 -178.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 48.3 t -65.37 -44.4 87.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.909 -0.587 . . . . 89.07 111.23 178.409 -173.346 52.172 -113.992 103.727 2.034 104.946 -79.425 -33.477 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -63.09 -42.72 99.68 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.359 -0.537 . . . . 82.54 111.044 178.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.03 -19.5 62.5 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.387 0.514 . . . . 73.96 112.387 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.77 -27.72 67.0 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.218 -0.593 . . . . 83.54 111.424 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -70.15 -28.22 65.18 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.486 -0.485 . . . . 106.82 111.438 175.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.93 -179.55 30.89 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.339 -1.104 . . . . 98.75 110.339 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.43 133.67 56.32 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 114.534 -0.833 . . . . 125.95 110.647 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -143.19 146.3 33.57 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.374 -0.602 . . . . 93.54 109.374 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.87 162.94 13.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.426 -0.806 . . . . 104.35 110.999 -173.595 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 25.8 t -62.98 -44.84 99.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 115.349 -0.841 . . . . 103.26 111.035 -170.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' THR . . . . . 0.439 ' O ' ' OG1' ' B' ' 55' ' ' THR . 3.9 t -74.03 -26.7 60.57 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.191 -1.003 . . . . 98.84 111.729 -174.814 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -82.12 -14.85 55.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.508 -0.877 . . . . 116.85 111.913 172.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.2 -52.17 13.25 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.618 -0.433 . . . . 92.69 110.638 165.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -56.05 -31.08 62.83 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.906 -0.318 . . . . 135.95 111.502 174.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 51' ' ' THR . 47.0 m -67.67 -45.57 74.86 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.844 -0.343 . . . . 100.42 111.184 176.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 65.4 mtt-85 -79.05 -36.6 40.73 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.173 -0.329 . . . . 105.58 111.811 -171.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -98.2 -59.6 1.72 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.947 -0.301 . . . . 101.59 111.237 -170.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t 56.17 52.98 9.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.525 0.679 . . . . 126.99 112.082 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 6.1 t -68.14 -37.76 81.42 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 118.837 -1.145 . . . . 129.72 110.389 168.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -177.12 159.39 1.63 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.822 2.049 . . . . 130.92 107.062 173.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -66.42 -10.91 48.54 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.324 0.861 . . . . 143.77 113.324 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.36 -11.7 6.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.943 1.09 . . . . 121.92 113.943 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.53 -29.18 52.21 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.818 0.736 . . . . 100.83 111.837 -176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.19 -44.46 97.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.498 -0.481 . . . . 93.94 110.463 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.7 m -63.03 -37.9 89.04 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.418 -0.513 . . . . 81.78 111.35 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.64 -47.44 78.5 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.655 -0.418 . . . . 125.27 110.996 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -68.81 -33.42 73.81 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.598 -0.441 . . . . 89.57 111.762 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.73 -43.81 92.18 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.398 -0.521 . . . . 67.55 111.052 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.22 93.94 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.545 -0.462 . . . . 72.23 111.243 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -38.33 77.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.221 -0.591 . . . . 97.65 111.366 -179.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.37 -32.24 73.77 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.158 -0.617 . . . . 77.01 111.455 174.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ARG . . . . . 0.503 ' NH2' ' OE1' ' C' ' 104' ' ' GLU . 41.5 ttp85 -75.79 -41.87 51.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.939 -0.304 . . . . 75.83 111.617 179.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.2 mt -65.39 -25.12 67.42 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.555 -0.458 . . . . 98.51 111.596 178.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -86.48 -3.38 59.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.583 0.586 . . . . 76.68 112.583 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.65 13.37 78.31 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 115.585 0.994 . . . . 63.15 115.585 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 17.6 mt -91.46 -23.62 19.94 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.502 1.151 . . . . 73.2 113.312 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 32.9 m -121.63 161.6 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.931 0.872 . . . . 88.27 108.872 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -122.86 158.86 29.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.051 -0.977 . . . . 94.88 109.539 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.31 146.71 51.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.261 -0.881 . . . . 112.43 110.194 -174.678 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -159.33 158.71 32.85 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.949 -1.13 . . . . 138.38 107.949 171.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -133.26 141.99 48.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.619 -0.719 . . . . 161.44 110.756 -173.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -129.61 85.72 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.519 -1.66 . . . . 144.89 106.519 167.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.59 -109.78 3.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.098 -0.573 . . . . 147.14 113.211 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.01 25.15 2.93 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.296 0.638 . . . . 150.27 112.589 179.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 6.8 m -135.13 108.03 7.57 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.085 -0.709 . . . . 142.93 109.085 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 4.4 mt -90.54 118.97 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.772 -1.195 . . . . 131.72 107.772 172.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -107.32 119.83 40.46 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.332 -0.618 . . . . 128.33 109.332 -177.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -106.49 143.64 34.32 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.185 0.594 . . . . 97.34 109.971 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -140.52 157.23 45.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.401 0.619 . . . . 95.3 109.543 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.4 115.47 16.18 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.371 -0.974 . . . . 83.77 108.371 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.3 p -97.93 -29.59 13.22 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 114.048 1.129 . . . . 84.36 114.048 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.34 116.72 65.97 Favored Pre-proline 0 C--O 1.242 0.663 0 CA-C-N 118.655 0.661 . . . . 82.58 110.111 -173.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.58 -26.81 39.61 Favored 'Trans proline' 0 C--O 1.237 0.467 0 CA-C-N 119.242 0.765 . . . . 73.9 113.374 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -65.25 -43.89 89.92 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.203 -0.599 . . . . 60.8 110.994 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.52 74.09 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.38 -0.528 . . . . 70.19 111.591 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.53 94.68 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.513 -0.475 . . . . 54.93 111.229 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -72.55 -33.38 66.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.205 -0.598 . . . . 54.02 111.648 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.41 -45.19 93.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.113 0.482 . . . . 53.95 110.198 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' VAL . . . . . . . . . . . . . 44.0 t -61.74 -43.29 97.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.964 0.412 . . . . 56.84 110.331 179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -61.83 -34.29 75.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.407 -0.517 . . . . 108.81 111.628 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m -72.19 -47.84 47.67 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.296 -0.562 . . . . 49.02 111.296 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 -40.48 42.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 119.812 -0.755 . . . . 66.32 110.993 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -89.02 77.02 7.73 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.132 -1.803 . . . . 109.03 106.132 167.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -37.48 -41.8 0.47 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.291 -0.868 . . . . 99.43 111.255 -173.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -148.02 -1.37 0.57 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 114.02 1.119 . . . . 130.92 114.02 -161.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -88.32 -40.49 13.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.668 0.618 . . . . 88.62 112.668 -154.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 m -85.36 -55.22 4.12 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.122 -0.631 . . . . 97.22 111.513 -176.1 -33.477 -79.425 -113.992 104.946 2.034 103.727 52.172 -173.346 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 108.11 110.236 179.71 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.467 0.175 . . . . 114.66 110.565 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . 72.01 -7.94 1.22 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.271 1.428 . . . . 104.57 111.47 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -128.71 -28.65 2.45 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.075 -1.454 . . . . 148.52 107.075 165.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLU . . . . . 0.548 ' OE2' ' NH1' ' C' ' 20' ' ' ARG . 31.7 tp10 -64.85 -43.39 93.19 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.702 -0.681 . . . . 130.15 110.572 165.408 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' MSE . . . . . . . . . . . . . 7.1 ttm -67.69 -37.45 82.33 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.216 -0.303 . . . . 101.06 111.552 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.02 85.98 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.272 -0.571 . . . . 69.09 111.338 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -72.11 -40.27 68.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.418 -0.513 . . . . 88.43 111.208 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ARG . . . . . 0.548 ' NH1' ' OE2' ' C' ' 16' ' ' GLU . 9.4 mtp85 -66.05 -37.12 85.06 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.262 -0.575 . . . . 83.63 111.143 176.254 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.18 80.44 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.361 -0.536 . . . . 50.58 111.581 -176.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -73.13 -37.49 66.63 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.583 -0.847 . . . . 108.62 111.172 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.8 84.63 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.987 -0.685 . . . . 59.32 111.033 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.9 83.46 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.424 -0.51 . . . . 58.24 111.334 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -66.24 -42.58 88.39 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 55.74 110.955 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.49 -36.37 78.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.545 -0.462 . . . . 68.26 110.876 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.8 -42.97 76.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.371 -0.532 . . . . 50.19 111.228 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.96 -33.65 63.96 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.027 -0.669 . . . . 51.85 111.597 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm -60.45 -35.42 75.82 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.064 -0.654 . . . . 73.29 111.579 175.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -24.77 60.91 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.276 -0.569 . . . . 58.41 111.649 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 94.7 mt -99.21 -15.72 18.81 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.661 0.985 . . . . 60.13 113.661 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 61.35 2.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 122.605 1.193 . . . . 70.58 110.415 179.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -150.7 116.75 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 107.314 -1.365 . . . . 71.33 107.314 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -59.15 -38.74 80.44 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.449 0.468 . . . . 97.77 111.288 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLY . . . . . 0.566 ' O ' ' O ' ' C' ' 301' ' ' HOH . . . -67.25 -26.75 73.43 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.429 -0.891 . . . . 89.47 113.474 178.192 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ARG . . . . . . . . . . . . . 82.0 mtm-85 -92.58 -24.27 18.77 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.131 0.789 . . . . 70.13 113.131 177.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.04 -38.77 72.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.267 0.485 . . . . 64.18 111.608 -176.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' MSE . . . . . . . . . . . . . 46.9 mtm -69.12 -36.03 77.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.045 -0.41 . . . . 110.7 110.738 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ILE . . . . . 0.673 ' N ' ' O ' ' C' ' 301' ' ' HOH . 54.9 mt -58.6 -47.48 88.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.569 -0.742 . . . . 53.48 110.175 175.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' MSE . . . . . . . . . . . . . 79.3 mmm -60.26 -38.86 84.8 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.636 0.375 . . . . 78.3 111.343 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.34 -43.57 90.5 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.727 -0.67 . . . . 71.23 111.14 177.598 -176.095 63.738 -111.713 104.764 2.038 104.029 -83.697 -41.328 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -44.41 96.19 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.811 -0.356 . . . . 77.77 110.825 176.059 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.85 -26.6 66.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.529 -0.468 . . . . 64.48 111.413 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.42 72.29 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.053 -0.659 . . . . 63.77 111.241 174.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 40.3 t -72.86 -24.31 60.86 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.225 0.454 . . . . 68.76 112.225 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.87 163.53 13.63 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 122.102 0.835 . . . . 56.39 111.306 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' GLU . . . . . 0.402 ' OE2' ' NH2' ' C' ' 80' ' ' ARG . 40.0 tt0 -57.24 140.52 49.55 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.772 -0.714 . . . . 61.77 110.333 177.259 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -142.41 146.92 35.38 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.455 -0.572 . . . . 65.27 109.455 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 58.8 p -85.33 173.31 10.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.804 0.811 . . . . 65.62 110.218 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.13 -48.19 88.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 115.399 -0.818 . . . . 67.46 110.348 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 19.4 p -68.04 -33.19 74.1 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.362 -0.535 . . . . 90.72 111.778 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' GLU . . . . . 0.489 ' O ' ' NH2' ' C' ' 56' ' ' ARG . 50.5 mt-10 -65.36 -32.78 74.59 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.006 -0.678 . . . . 73.94 111.552 175.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.31 -36.81 39.03 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.647 -0.421 . . . . 66.89 111.378 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -66.3 -25.35 66.81 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.495 -0.482 . . . . 92.6 111.543 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 2.4 m -71.95 -38.79 69.75 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.157 -0.617 . . . . 81.73 110.949 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' ARG . . . . . 0.538 ' NE ' ' O4 ' ' C' ' 204' ' ' SO4 . 62.3 mtt85 -83.74 -22.24 32.02 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 113.216 0.821 . . . . 81.15 113.216 -177.499 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.3 133.45 55.73 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.382 0.537 . . . . 90.53 109.758 -178.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.918 0.866 . . . . 106.6 110.404 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.19 -36.9 85.56 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.255 -0.884 . . . . 163.47 111.631 -175.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -41.18 92.46 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.378 -0.529 . . . . 178.6 111.686 -174.278 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -97.82 0.71 47.27 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.382 0.882 . . . . 162.21 113.382 -175.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.0 118.05 2.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.61 0.641 . . . . 127.22 109.697 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.26 83.62 6.47 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.259 -1.756 . . . . 89.67 106.259 162.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -59.61 -49.38 83.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 114.613 -1.176 . . . . 63.59 111.036 -160.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -63.38 -39.59 94.93 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.201 -0.6 . . . . 72.79 111.643 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -71.37 -44.84 64.23 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.956 -0.698 . . . . 102.77 111.406 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -67.64 -29.99 69.44 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.246 -0.582 . . . . 94.1 111.619 -178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.75 -45.0 79.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.239 -0.585 . . . . 56.01 110.833 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.86 76.53 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.371 -0.532 . . . . 58.66 111.401 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -66.42 -44.2 83.58 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.529 -0.468 . . . . 86.1 111.156 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.24 -33.38 75.87 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.525 -0.47 . . . . 54.08 111.607 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -72.46 -41.69 65.81 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.219 -0.592 . . . . 50.59 111.268 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 66.9 mt -70.72 -19.06 62.78 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.388 -0.525 . . . . 59.12 112.045 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' C' ' 302' ' ' HOH . 24.8 mm-40 -85.46 2.4 44.72 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.547 0.573 . . . . 89.16 112.547 171.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.2 9.95 84.21 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 114.959 0.744 . . . . 50.43 114.959 -178.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.06 -7.77 44.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.202 1.001 . . . . 62.44 113.428 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 77' ' ' VAL . . . . . . . . . . . . . 35.1 m -147.98 161.13 7.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 107.858 -1.164 . . . . 54.84 107.858 171.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -129.44 162.06 28.96 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.207 -0.664 . . . . 75.58 109.207 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -131.99 157.22 44.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 122.009 0.909 . . . . 52.96 111.495 -170.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 80' ' ' ARG . . . . . 0.402 ' NH2' ' OE2' ' C' ' 47' ' ' GLU . 51.5 ptt85 -153.56 158.34 41.08 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.892 -1.521 . . . . 56.11 106.892 171.024 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 81' ' ' ARG . . . . . 0.557 ' NH2' ' O3 ' ' C' ' 202' ' ' SO4 . 1.2 ptm180 -137.55 148.71 46.16 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.817 -0.753 . . . . 62.27 111.103 -175.516 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -116.25 93.65 4.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 105.194 -2.15 . . . . 80.2 105.194 169.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.23 -110.19 3.05 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.81 . . . . 58.11 111.378 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -106.22 -6.16 18.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.353 0.871 . . . . 87.1 113.353 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 85.8 m -83.63 114.81 21.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.911 -0.774 . . . . 65.56 108.911 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mt -104.15 122.05 56.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.776 -0.824 . . . . 59.24 108.776 -175.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -101.31 139.94 36.29 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.121 0.568 . . . . 65.11 110.283 178.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 88' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.96 148.01 44.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.134 0.574 . . . . 47.64 110.197 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.8 p -148.49 170.47 17.97 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.191 -0.67 . . . . 51.2 109.191 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mt -59.64 -65.38 0.68 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.358 -0.837 . . . . 94.42 112.407 -163.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 91' ' ' SER . . . . . 0.555 ' O ' ' OG ' ' C' ' 91' ' ' SER . 0.9 OUTLIER 66.24 11.95 8.24 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.908 1.447 . . . . 66.29 114.908 173.95 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -151.53 109.37 2.95 Favored Pre-proline 0 C--O 1.238 0.465 0 CA-C-N 119.489 1.041 . . . . 79.96 110.778 174.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 93' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.54 -26.68 46.72 Favored 'Trans proline' 0 C--O 1.237 0.459 0 N-CA-C 113.811 0.658 . . . . 57.96 113.811 -175.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 94' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.67 -52.12 62.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.829 0.74 . . . . 54.0 110.864 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.38 78.94 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.564 -0.455 . . . . 56.34 111.275 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.65 91.83 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.386 -0.526 . . . . 58.69 111.212 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -71.86 -36.01 69.98 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.351 -0.54 . . . . 83.67 111.313 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.19 -46.51 93.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.407 -0.517 . . . . 53.29 110.106 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 37.1 t -59.81 -44.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.978 0.418 . . . . 63.11 110.509 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 100' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -62.57 -32.36 73.32 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.978 -0.452 . . . . 107.01 111.816 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -74.88 -48.81 22.94 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.717 -0.393 . . . . 66.13 111.673 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.19 -21.24 15.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 112.633 0.605 . . . . 78.95 112.633 -177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -92.35 -13.9 29.53 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.784 0.661 . . . . 74.85 112.784 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' GLU . . . . . 0.503 ' OE1' ' NH2' ' B' ' 72' ' ' ARG . 74.0 mt-10 54.37 57.33 5.94 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.028 0.918 . . . . 97.52 111.037 -179.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 55.56 21.44 4.45 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.77 -1.104 . . . . 126.78 113.197 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.46 -32.63 74.33 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.486 -0.486 . . . . 85.27 111.395 172.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.52 -16.57 41.88 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.845 0.683 . . . . 97.17 112.845 -178.133 -41.328 -83.697 -111.713 104.029 2.038 104.764 63.738 -176.095 1 1 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 118.375 0.534 . . . . 93.05 110.139 -179.074 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 109.18 111.026 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.87 160.7 30.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.892 0.853 . . . . 103.28 110.964 -176.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.53 141.48 53.85 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.255 -0.884 . . . . 96.15 110.224 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -62.39 115.48 4.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.531 . . . . 89.64 109.631 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.71 65.23 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.33 0.493 . . . . 82.3 112.33 -172.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.68 -28.29 18.45 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.594 0.961 . . . . 125.12 113.594 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' D' ' 20' ' ' ARG . 1.1 tt0 -78.63 -25.49 45.06 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.07 -1.052 . . . . 87.81 111.395 175.313 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' MSE . . . . . . . . . . . . . 46.4 ttp -65.57 -42.74 91.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.117 -0.697 . . . . 114.92 109.117 172.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.18 72.41 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.724 -0.671 . . . . 72.69 111.511 176.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -72.77 -46.16 54.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.535 -0.466 . . . . 81.54 110.811 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ARG . . . . . 0.532 ' NH1' ' OE2' ' D' ' 16' ' ' GLU . 2.8 mtp85 -63.11 -34.66 78.08 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.605 -0.438 . . . . 87.87 111.464 176.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.32 72.86 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.453 -0.499 . . . . 63.97 111.556 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -65.87 -40.9 92.08 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.656 -0.818 . . . . 102.74 110.978 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.66 90.03 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.164 -0.615 . . . . 70.54 110.985 175.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.52 84.41 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.552 -0.459 . . . . 55.53 111.276 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' SER . . . . . . . . . . . . . 42.5 t -63.6 -42.76 98.21 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.25 -0.58 . . . . 67.25 111.17 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ASN . . . . . 0.7 ' OD1' ' O ' ' D' ' 302' ' ' HOH . 93.4 m-20 -64.94 -34.55 78.68 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.098 -0.641 . . . . 57.48 111.36 177.987 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' LEU . . . . . . . . . . . . . 49.2 tp -67.81 -42.51 81.42 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.322 -0.551 . . . . 63.4 111.21 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.53 -36.4 73.7 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.159 -0.617 . . . . 57.93 111.267 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -59.0 -39.39 81.7 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.37 -0.532 . . . . 67.61 110.965 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.77 65.66 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.389 -0.524 . . . . 50.24 111.626 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.09 -14.19 19.51 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.522 0.934 . . . . 54.66 113.522 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.75 60.85 2.88 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.467 1.127 . . . . 64.18 111.009 -174.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -149.47 130.12 14.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.774 -1.103 . . . . 58.47 108.121 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.07 -44.82 96.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.36 -0.536 . . . . 73.26 111.965 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.07 99.93 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.016 -1.087 . . . . 57.68 112.916 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -69.07 -38.15 78.87 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.133 -0.627 . . . . 95.01 111.662 -176.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.07 -35.62 81.34 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.421 -0.511 . . . . 54.68 111.502 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' MSE . . . . . . . . . . . . . 28.2 mtm -64.91 -37.51 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.034 -0.416 . . . . 84.81 110.704 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -61.14 -48.15 90.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.041 -0.527 . . . . 67.94 110.289 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' MSE . . . . . . . . . . . . . 26.6 mmm -63.47 -32.14 73.49 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.952 -0.467 . . . . 95.02 112.205 179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 49.0 t -65.84 -42.94 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.628 -0.829 . . . . 78.49 111.118 177.248 -174.124 60.811 -105.361 104.554 2.04 105.605 -89.756 -39.004 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -67.88 -39.26 83.71 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.089 -0.645 . . . . 74.65 111.175 176.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.24 -16.61 61.93 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.423 0.527 . . . . 70.59 112.423 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.87 66.92 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.337 -0.545 . . . . 74.71 111.656 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -72.29 -29.69 64.11 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.332 -0.547 . . . . 97.89 111.369 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.54 169.63 24.06 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.322 -1.111 . . . . 105.19 110.322 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.89 143.98 55.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.788 -0.706 . . . . 98.27 110.224 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -133.56 162.27 32.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.639 0.733 . . . . 90.56 109.36 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' SER . . . . . 0.668 ' OG ' ' N ' ' D' ' 52' ' ' GLU . 1.3 p -65.26 -176.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.079 0.943 . . . . 100.5 110.245 173.173 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -88.18 -33.62 6.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.487 -0.779 . . . . 91.92 110.548 156.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' THR . . . . . 0.498 ' N ' ' OG ' ' D' ' 49' ' ' SER . 32.0 p -75.87 -50.36 15.29 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 122.162 -0.336 . . . . 102.85 111.678 -176.952 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' GLU . . . . . 0.668 ' N ' ' OG ' ' D' ' 49' ' ' SER . 9.0 pt-20 -66.77 -10.34 46.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.337 -0.945 . . . . 118.99 112.038 176.144 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' LEU . . . . . . . . . . . . . 12.8 mt -79.12 -47.9 15.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 117.978 0.353 . . . . 84.8 110.945 166.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -73.86 -17.65 61.03 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.173 -0.611 . . . . 106.43 112.459 -178.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 69.1 p -79.16 -41.92 27.34 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.691 -0.803 . . . . 107.32 111.329 171.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -75.38 -17.21 60.27 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.704 0.631 . . . . 102.51 112.704 179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -97.15 -49.11 5.1 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.561 0.578 . . . . 96.33 112.561 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m 61.4 20.24 10.96 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.472 1.109 . . . . 137.3 112.881 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 59' ' ' THR . . . . . . . . . . . . . 1.2 t -70.71 -50.03 40.68 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.957 -0.697 . . . . 131.07 110.959 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 60' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -175.81 152.91 1.31 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.1 -1.074 . . . . 142.63 108.1 171.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -78.31 6.4 8.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.226 0.824 . . . . 136.59 113.226 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.15 -27.91 2.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.448 0.567 . . . . 116.32 110.177 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.62 74.67 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.504 -0.479 . . . . 100.53 111.268 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.47 -48.17 88.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.179 0.514 . . . . 74.91 110.512 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -34.41 77.79 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.257 -0.577 . . . . 80.57 111.884 -175.514 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.48 -40.0 70.54 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.481 -0.888 . . . . 112.59 110.927 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 67' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -68.63 -29.15 67.59 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.739 -0.384 . . . . 62.37 111.034 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -42.0 80.43 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.507 -0.477 . . . . 73.09 110.931 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.74 -45.55 92.18 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.754 -0.378 . . . . 60.64 111.022 178.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -37.99 89.43 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.089 -0.645 . . . . 96.56 111.062 -179.224 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.1 -33.62 76.45 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.079 -0.648 . . . . 59.73 111.277 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -73.41 -42.68 61.78 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.601 -0.439 . . . . 73.6 111.259 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 73' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.09 -26.53 68.59 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.38 -0.528 . . . . 75.02 111.885 179.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 74' ' ' GLU . . . . . 0.761 ' OE1' ' O ' ' D' ' 301' ' ' HOH . 56.5 mm-40 -86.57 0.78 53.7 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.806 0.669 . . . . 76.99 112.806 176.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.77 12.6 81.21 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.369 0.907 . . . . 56.3 115.369 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 76' ' ' LEU . . . . . . . . . . . . . 24.2 mt -90.67 -22.79 20.99 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.398 1.099 . . . . 59.92 113.41 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.31 156.1 42.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.729 0.776 . . . . 64.04 109.21 176.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 78' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -122.41 168.07 12.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.089 -0.959 . . . . 102.66 109.85 178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -126.55 141.79 51.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.406 -0.815 . . . . 92.24 110.215 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 80' ' ' ARG . . . . . . . . . . . . . 24.0 ptt85 -142.3 157.73 44.5 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.404 -0.961 . . . . 116.91 108.404 172.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttp-105 -120.65 141.0 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 126.47 110.702 -168.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -129.73 47.65 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.153 0.981 . . . . 132.23 109.933 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.55 -107.46 3.3 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.581 -0.607 . . . . 125.89 111.581 -177.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -106.09 26.27 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.494 -0.415 . . . . 122.53 111.506 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 85' ' ' THR . . . . . . . . . . . . . 4.1 m -116.53 136.72 52.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.063 -0.717 . . . . 117.03 109.063 171.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 86' ' ' ILE . . . . . . . . . . . . . 9.6 tp -111.77 123.17 67.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 107.584 -1.265 . . . . 110.51 107.584 173.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -109.74 123.53 49.68 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.796 -0.816 . . . . 116.31 108.796 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 88' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -97.49 141.95 29.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.459 -0.571 . . . . 81.87 109.459 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.9 m -132.91 154.75 50.11 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.482 0.658 . . . . 84.28 109.74 -175.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mt -69.7 121.08 16.47 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.171 -0.922 . . . . 88.18 109.668 171.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -104.25 -46.06 4.52 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.136 0.791 . . . . 75.71 113.136 -171.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.54 119.57 69.06 Favored Pre-proline 0 C--O 1.238 0.486 0 N-CA-C 109.649 -0.5 . . . . 89.03 109.649 -173.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 93' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.93 -27.71 42.87 Favored 'Trans proline' 0 C--O 1.239 0.532 0 CA-C-N 119.225 0.759 . . . . 75.93 113.294 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 94' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -62.91 -48.59 78.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.476 0.58 . . . . 65.66 110.856 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.17 -31.71 73.03 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.5 -0.48 . . . . 58.26 111.503 178.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.83 85.64 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.479 -0.488 . . . . 61.0 111.183 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 97' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -73.43 -35.99 65.88 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.122 -0.631 . . . . 72.93 111.233 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.8 -45.49 98.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.198 0.523 . . . . 62.85 110.17 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 99' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.28 -45.28 96.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.173 0.511 . . . . 62.66 110.323 177.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.77 -34.53 74.61 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.0 -0.438 . . . . 107.22 111.717 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' THR . . . . . . . . . . . . . 82.5 m -74.03 -46.19 44.99 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.594 -0.442 . . . . 61.95 111.312 -176.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.78 -22.92 16.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 112.534 0.568 . . . . 73.53 112.534 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.12 -22.24 17.44 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.515 0.932 . . . . 73.52 113.515 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 56.38 66.98 1.06 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.91 0.862 . . . . 106.77 111.592 171.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 70.35 3.43 4.45 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.725 1.21 . . . . 129.6 112.711 173.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -73.75 -37.47 65.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.89 0.768 . . . . 94.73 111.442 -175.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 107' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.97 -19.31 24.64 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 112.876 0.695 . . . . 92.67 112.876 175.819 -39.004 -89.756 -105.361 105.605 2.04 104.554 60.811 -174.124 1 1 . 1 . 001 ecloud orig full ' D' D ' 108' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' D' ' 108' ' ' SER . 11.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 118.103 0.411 . . . . 109.43 110.874 177.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' SO4 . . . . . 0.508 ' O1 ' ' N ' ' A' ' 79' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' SO4 . . . . . 0.557 ' O3 ' ' NH2' ' C' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' SO4 . . . . . 0.538 ' O4 ' ' NE ' ' C' ' 56' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.765 ' O ' ' OE2' ' A' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . 0.733 ' O ' ' O ' ' A' ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . 0.495 ' O ' ' NZ ' ' A' ' 29' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . 0.766 ' O ' ' N ' ' B' ' 34' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . 0.54 ' O ' ' O ' ' B' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . 0.415 ' O ' ' OG1' ' B' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 301' ' ' HOH . . . . . 0.673 ' O ' ' N ' ' C' ' 39' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 302' ' ' HOH . . . . . 0.404 ' O ' ' OE1' ' C' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 301' ' ' HOH . . . . . 0.761 ' O ' ' OE1' ' D' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 302' ' ' HOH . . . . . 0.7 ' O ' ' OD1' ' D' ' 26' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.369 . . . . 93.78 110.673 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -29.11 64.38 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.22 -0.592 . . . . 119.54 111.077 173.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -68.94 -31.25 70.0 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.48 -0.488 . . . . 103.37 111.061 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 10.9 ttm -63.02 -42.18 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.367 -0.208 . . . . 126.05 111.374 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -37.56 87.86 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.362 -0.535 . . . . 81.63 111.356 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.8 m -68.55 -43.6 76.28 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.253 -0.579 . . . . 67.2 111.157 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -66.84 -37.73 85.04 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.219 -0.592 . . . . 75.87 111.244 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.2 86.82 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.551 -0.459 . . . . 58.47 111.431 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.52 -41.39 65.91 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.759 -0.376 . . . . 106.04 111.249 -177.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.11 84.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.642 -0.423 . . . . 45.46 110.965 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.03 84.05 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.622 -0.431 . . . . 51.21 111.2 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -66.26 -35.73 81.18 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.945 -0.702 . . . . 69.24 111.214 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -62.34 -36.57 82.62 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.986 -0.686 . . . . 57.18 111.025 174.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -68.76 -43.23 76.2 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.389 -0.524 . . . . 50.76 111.133 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.45 -35.99 80.3 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.172 -0.611 . . . . 50.12 111.283 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -58.38 -41.5 84.97 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.454 -0.499 . . . . 71.74 111.095 176.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.85 62.77 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.353 0.501 . . . . 54.15 112.353 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.7 mt -104.86 -11.13 16.9 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.843 1.053 . . . . 48.37 113.843 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.13 68.39 6.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 122.624 1.202 . . . . 55.07 109.975 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 t-80 -159.26 127.69 5.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.842 -1.072 . . . . 70.59 108.171 179.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.0 -45.14 94.93 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.508 0.505 . . . . 79.24 111.513 -174.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.4 -42.09 96.13 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.118 -1.039 . . . . 50.71 112.867 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -66.37 -40.06 89.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.27 -0.572 . . . . 64.64 111.155 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.82 -31.19 70.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.929 -0.309 . . . . 48.42 111.391 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MSE . . . . . 0.404 'SE ' ' HA ' ' B' ' 18' ' ' ALA . 7.2 tpp -69.73 -38.22 76.78 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.737 0.303 . . . . 107.97 110.407 178.297 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.75 -42.28 89.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.934 -0.576 . . . . 46.88 110.525 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' MSE . . . . . 0.409 ' HB3' HG21 ' A' ' 99' ' ' VAL . 49.7 mmm -58.54 -44.45 89.63 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.355 0.597 . . . . 62.91 110.675 178.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.12 -48.33 82.15 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.742 -1.117 . . . . 53.23 111.549 -179.679 -171.478 61.969 -113.335 104.758 2.033 104.072 -89.734 -40.533 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' TYR . . . . . 0.523 ' CE2' ' HE1' ' B' ' 17' ' ' MSE . 5.6 m-85 -59.99 -42.34 94.0 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.745 -0.382 . . . . 54.45 110.766 176.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.63 -16.17 61.72 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.402 0.519 . . . . 50.42 112.402 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.73 65.79 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.377 -0.529 . . . . 53.86 112.164 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.2 p -91.33 8.55 35.51 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.856 0.687 . . . . 54.42 112.856 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.22 169.77 12.86 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.38 0.989 . . . . 43.1 112.151 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.62 142.34 49.72 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.184 -1.008 . . . . 63.31 110.696 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -145.23 150.34 36.52 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.379 -0.6 . . . . 49.58 109.379 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.1 p -87.62 171.02 10.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.896 0.855 . . . . 56.38 110.584 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.78 -44.66 89.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.289 -0.869 . . . . 55.39 110.727 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 p -65.7 -33.94 77.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.939 -0.704 . . . . 74.79 111.54 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.89 -43.25 98.74 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.343 -0.543 . . . . 73.29 111.018 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.22 -39.51 65.46 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.251 -0.58 . . . . 57.23 111.292 179.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.67 -32.59 72.78 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.885 -0.726 . . . . 83.78 111.351 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -71.0 -38.99 72.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.701 -0.4 . . . . 57.6 111.345 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -78.83 -31.06 45.61 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 112.348 0.499 . . . . 66.86 112.348 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -89.79 134.86 33.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 65.01 110.674 -173.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -68.91 -43.08 75.94 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.718 -0.674 . . . . 114.05 111.821 -174.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 p -65.29 170.4 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.133 0.968 . . . . 94.64 111.064 -171.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.61 149.03 49.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.053 -0.976 . . . . 105.24 111.025 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -65.28 -21.08 66.68 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.368 -0.833 . . . . 101.01 112.762 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . 0.733 ' O ' ' O ' ' A' ' 302' ' ' HOH . . . -66.53 -35.2 79.66 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.875 -0.73 . . . . 95.47 111.296 174.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.15 -33.78 65.68 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.183 -0.607 . . . . 66.98 111.55 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . 0.493 ' HA ' HE21 ' A' ' 67' ' ' GLN . 41.4 t -63.21 -46.82 94.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.177 0.513 . . . . 81.69 110.436 -178.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -66.38 -34.54 78.19 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 122.054 -0.404 . . . . 95.62 111.791 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.46 -42.31 83.26 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.149 -0.62 . . . . 103.65 111.058 175.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLN . . . . . 0.493 HE21 ' HA ' ' A' ' 64' ' ' VAL . 4.5 mt-30 -64.6 -36.5 84.44 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.319 -0.552 . . . . 73.47 110.987 176.862 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.5 mt -65.59 -43.79 88.64 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.485 -0.486 . . . . 59.23 111.023 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.95 86.91 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.453 -0.499 . . . . 55.16 111.087 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -66.02 -48.28 71.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.695 -0.402 . . . . 62.33 111.06 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.22 -32.74 71.4 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.459 -0.496 . . . . 54.67 111.501 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -75.83 -46.34 30.98 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.737 -0.385 . . . . 76.35 111.619 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.38 -20.17 65.52 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.392 -0.923 . . . . 52.59 111.98 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . 0.765 ' OE2' ' O ' ' A' ' 301' ' ' HOH . 58.4 mm-40 -83.47 0.6 45.63 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 112.645 0.609 . . . . 81.03 112.645 172.108 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.79 9.64 70.6 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-O 119.476 -0.624 . . . . 51.64 114.633 -177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.18 -7.76 56.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.988 0.894 . . . . 60.95 113.402 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.21 158.73 11.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 N-CA-C 107.78 -1.193 . . . . 52.26 107.78 170.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -124.62 160.43 28.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.402 0.62 . . . . 67.79 109.573 172.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . 0.494 ' N ' ' O1 ' ' A' ' 202' ' ' SO4 . 3.5 p -133.76 158.11 44.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.78 0.8 . . . . 61.48 110.402 -175.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -150.41 154.91 38.58 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.798 -1.186 . . . . 61.13 107.798 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -114.5 134.39 55.06 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.026 -0.533 . . . . 116.64 109.953 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.45 87.64 2.73 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 106.001 -1.851 . . . . 102.2 106.001 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.85 -113.45 4.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 116.163 -0.471 . . . . 87.4 111.966 -174.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . 0.548 ' H ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.07 -1.77 51.5 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.74 0.644 . . . . 84.41 112.74 177.156 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 m -96.29 141.09 30.05 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.013 0.525 . . . . 84.06 110.202 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.9 mt -119.0 120.35 63.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 107.7 -1.222 . . . . 61.11 107.7 174.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -105.26 141.04 37.48 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.111 0.564 . . . . 72.21 109.94 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -121.59 147.47 45.79 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.817 0.447 . . . . 60.33 110.437 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 p -148.58 172.39 14.6 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.428 0.632 . . . . 51.77 109.397 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.35 -60.43 3.18 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.322 -0.854 . . . . 98.88 112.602 -162.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . 0.539 ' O ' ' OG ' ' A' ' 91' ' ' SER . 1.0 OUTLIER 66.34 11.46 7.97 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.383 1.623 . . . . 80.42 115.383 172.713 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -154.03 110.0 2.48 Favored Pre-proline 0 C--O 1.238 0.47 0 CA-C-N 119.695 1.134 . . . . 66.82 111.346 173.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.35 -26.66 29.28 Favored 'Trans proline' 0 C--O 1.237 0.456 0 N-CA-C 113.834 0.667 . . . . 49.74 113.834 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -65.16 -46.37 81.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.786 0.721 . . . . 51.56 110.917 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.8 75.9 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.524 -0.471 . . . . 48.13 111.672 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.9 82.12 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.132 -0.627 . . . . 41.22 111.135 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -71.39 -37.2 71.57 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.987 -0.685 . . . . 79.64 111.289 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.18 -48.66 82.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.213 0.53 . . . . 50.93 110.164 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 40' ' ' MSE . 34.8 t -57.86 -44.61 86.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.163 0.506 . . . . 49.27 110.388 177.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -58.3 -36.58 73.55 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 122.159 -0.338 . . . . 79.91 111.331 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.0 m -74.45 -48.69 25.94 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.13 -0.356 . . . . 47.79 111.583 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 m -71.5 -27.01 27.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 120.024 -0.67 . . . . 49.95 111.004 -173.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.3 -10.31 52.65 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.839 0.681 . . . . 50.51 112.839 175.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 52.43 51.44 16.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.888 0.851 . . . . 85.48 110.888 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 61.68 21.83 12.47 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.091 0.956 . . . . 120.98 112.679 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.75 -33.28 75.61 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.45 -0.5 . . . . 53.76 111.63 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.1 m -79.69 -19.88 47.9 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.687 0.625 . . . . 73.24 112.687 177.832 -40.533 -89.734 -113.335 104.072 2.033 104.758 61.969 -171.478 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -67.68 -7.29 25.66 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.457 0.54 . . . . 91.6 112.457 172.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.9 8.92 63.0 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-O 119.169 -0.795 . . . . 113.68 113.815 -166.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.462 0.141 0 CA-C-N 117.913 0.856 . . . . 110.0 110.849 -176.729 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 5.0 ttp . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.119 0.485 . . . . 131.45 111.084 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.13 8.12 39.48 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 119.329 -0.706 . . . . 61.72 114.596 -172.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' SER . . . . . 0.488 ' HB3' ' CG ' ' B' ' 6' ' ' ASP . 5.5 t -57.58 153.64 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.293 1.046 . . . . 89.37 111.456 -179.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.07 -50.36 55.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.758 -1.11 . . . . 96.7 110.489 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.771 -0.372 . . . . 92.14 111.541 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ASP . . . . . 0.488 ' CG ' ' HB3' ' B' ' 3' ' ' SER . 9.4 m-20 -80.69 -51.27 8.88 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 111.831 0.308 . . . . 112.67 111.831 -175.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' B' ' 302' ' ' HOH . 29.2 mm-40 -66.15 -20.72 66.23 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.134 -0.626 . . . . 62.0 112.12 176.112 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -76.45 -41.26 47.99 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.066 0.394 . . . . 84.35 111.297 173.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.1 m -58.79 -39.42 81.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.448 -0.501 . . . . 78.0 111.083 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.96 -11.09 59.63 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.404 0.89 . . . . 62.23 113.404 -177.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.7 126.26 51.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.709 0.686 . . . . 59.98 110.006 -177.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.96 125.3 26.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.113 -0.494 . . . . 52.14 110.09 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -84.26 118.88 24.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.272 -0.422 . . . . 59.68 110.3 -174.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -26.11 65.49 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.354 0.501 . . . . 80.65 112.354 -177.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -89.07 -23.76 22.46 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.548 -0.861 . . . . 72.64 113.09 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -67.51 -35.12 78.51 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.342 -0.943 . . . . 63.25 110.881 165.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' MSE . . . . . 0.523 ' HE1' ' CE2' ' A' ' 42' ' ' TYR . 8.2 ttm -65.26 -41.18 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 123.942 0.897 . . . . 82.44 110.193 175.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . 0.404 ' HA ' 'SE ' ' A' ' 38' ' ' MSE . . . -60.92 -40.38 92.96 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.002 -0.544 . . . . 45.87 111.148 176.892 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 303' ' ' HOH . 54.3 m -64.76 -45.86 84.57 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.854 -0.338 . . . . 58.68 110.912 177.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -66.62 -34.26 77.48 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.212 -0.595 . . . . 74.91 111.642 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.6 87.49 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.374 -0.53 . . . . 45.56 111.373 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -67.88 -43.04 80.26 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.943 -0.703 . . . . 80.0 111.358 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.65 90.41 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.0 -0.68 . . . . 51.02 110.976 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.84 79.35 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.685 -0.406 . . . . 45.23 111.694 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -60.97 -45.42 94.84 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.523 -0.471 . . . . 65.79 110.922 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.41 -33.69 76.55 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.316 -0.554 . . . . 60.63 111.572 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.84 -43.01 76.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.128 -0.629 . . . . 57.0 111.215 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.28 -34.54 72.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.263 -0.575 . . . . 57.15 111.709 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -57.09 -40.71 77.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.51 -0.476 . . . . 54.3 111.088 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -22.36 61.79 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.482 0.549 . . . . 61.01 112.482 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -102.42 -14.39 16.89 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.521 0.934 . . . . 57.4 113.521 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.86 62.01 2.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 122.562 1.172 . . . . 55.25 110.781 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -152.33 127.39 9.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.651 -1.24 . . . . 78.53 107.651 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -63.17 -43.46 98.2 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.595 0.56 . . . . 85.36 111.615 -173.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.99 -46.5 89.06 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.023 -1.084 . . . . 57.79 112.555 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' B' ' 40' ' ' MSE . 82.2 mtm-85 -63.84 -35.88 82.09 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 122.223 -0.575 . . . . 77.59 111.122 177.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.87 -35.5 80.19 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.482 -0.487 . . . . 65.07 111.089 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' MSE . . . . . . . . . . . . . 22.4 mtm -71.8 -35.65 70.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.886 0.374 . . . . 114.44 110.07 -177.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.23 -41.18 90.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.972 -0.558 . . . . 70.55 110.308 174.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' MSE . . . . . 0.878 ' HE2' ' HA ' ' B' ' 40' ' ' MSE . 5.5 mmt -64.89 -37.95 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.957 -0.465 . . . . 92.56 111.605 -178.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 48.3 t -65.37 -44.4 87.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.909 -0.587 . . . . 89.07 111.23 178.409 -173.346 52.172 -113.992 103.727 2.034 104.946 -79.425 -33.477 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' TYR . . . . . 0.416 ' CE1' ' HD3' ' B' ' 56' ' ' ARG . 2.7 m-85 -63.09 -42.72 99.68 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.359 -0.537 . . . . 82.54 111.044 178.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.03 -19.5 62.5 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.387 0.514 . . . . 73.96 112.387 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.77 -27.72 67.0 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.218 -0.593 . . . . 83.54 111.424 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -70.15 -28.22 65.18 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.486 -0.485 . . . . 106.82 111.438 175.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.93 -179.55 30.89 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.339 -1.104 . . . . 98.75 110.339 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.43 133.67 56.32 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 114.534 -0.833 . . . . 125.95 110.647 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -143.19 146.3 33.57 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.374 -0.602 . . . . 93.54 109.374 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.87 162.94 13.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.426 -0.806 . . . . 104.35 110.999 -173.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' VAL . . . . . 0.446 HG23 ' HB ' ' B' ' 86' ' ' ILE . 25.8 t -62.98 -44.84 99.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 115.349 -0.841 . . . . 103.26 111.035 -170.825 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -74.03 -26.7 60.57 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.191 -1.003 . . . . 98.84 111.729 -174.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -82.12 -14.85 55.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.508 -0.877 . . . . 116.85 111.913 172.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.2 -52.17 13.25 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.618 -0.433 . . . . 92.69 110.638 165.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -56.05 -31.08 62.83 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.906 -0.318 . . . . 135.95 111.502 174.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.0 m -67.67 -45.57 74.86 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.844 -0.343 . . . . 100.42 111.184 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . 0.416 ' HD3' ' CE1' ' B' ' 42' ' ' TYR . 65.4 mtt-85 -79.05 -36.6 40.73 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.173 -0.329 . . . . 105.58 111.811 -171.909 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' LEU . . . . . 0.57 HD13 ' H ' ' B' ' 59' ' ' THR . 1.8 tm? -98.2 -59.6 1.72 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.947 -0.301 . . . . 101.59 111.237 -170.499 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t 56.17 52.98 9.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.525 0.679 . . . . 126.99 112.082 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' THR . . . . . 0.57 ' H ' HD13 ' B' ' 57' ' ' LEU . 6.1 t -68.14 -37.76 81.42 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 118.837 -1.145 . . . . 129.72 110.389 168.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -177.12 159.39 1.63 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.822 2.049 . . . . 130.92 107.062 173.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -66.42 -10.91 48.54 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.324 0.861 . . . . 143.77 113.324 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.36 -11.7 6.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.943 1.09 . . . . 121.92 113.943 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ALA . . . . . 0.541 ' HB3' HG23 ' B' ' 59' ' ' THR . . . -77.53 -29.18 52.21 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.818 0.736 . . . . 100.83 111.837 -176.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.19 -44.46 97.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.498 -0.481 . . . . 93.94 110.463 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.7 m -63.03 -37.9 89.04 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.418 -0.513 . . . . 81.78 111.35 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.64 -47.44 78.5 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.655 -0.418 . . . . 125.27 110.996 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLN . . . . . 0.405 ' HB3' ' HG2' ' B' ' 36' ' ' ARG . 42.5 mt-30 -68.81 -33.42 73.81 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.598 -0.441 . . . . 89.57 111.762 -178.789 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.73 -43.81 92.18 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.398 -0.521 . . . . 67.55 111.052 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.22 93.94 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.545 -0.462 . . . . 72.23 111.243 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -38.33 77.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.221 -0.591 . . . . 97.65 111.366 -179.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.37 -32.24 73.77 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.158 -0.617 . . . . 77.01 111.455 174.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -75.79 -41.87 51.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.939 -0.304 . . . . 75.83 111.617 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' D' ' 20' ' ' ARG . 62.2 mt -65.39 -25.12 67.42 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.555 -0.458 . . . . 98.51 111.596 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -86.48 -3.38 59.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.583 0.586 . . . . 76.68 112.583 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.65 13.37 78.31 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 115.585 0.994 . . . . 63.15 115.585 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 17.6 mt -91.46 -23.62 19.94 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.502 1.151 . . . . 73.2 113.312 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' VAL . . . . . 0.556 HG12 ' HE1' ' B' ' 40' ' ' MSE . 32.9 m -121.63 161.6 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.931 0.872 . . . . 88.27 108.872 176.648 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -122.86 158.86 29.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.051 -0.977 . . . . 94.88 109.539 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.31 146.71 51.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.261 -0.881 . . . . 112.43 110.194 -174.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -159.33 158.71 32.85 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.949 -1.13 . . . . 138.38 107.949 171.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -133.26 141.99 48.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.619 -0.719 . . . . 161.44 110.756 -173.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -129.61 85.72 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.519 -1.66 . . . . 144.89 106.519 167.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.59 -109.78 3.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.098 -0.573 . . . . 147.14 113.211 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.01 25.15 2.93 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.296 0.638 . . . . 150.27 112.589 179.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 6.8 m -135.13 108.03 7.57 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.085 -0.709 . . . . 142.93 109.085 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ILE . . . . . 0.446 ' HB ' HG23 ' B' ' 50' ' ' VAL . 4.4 mt -90.54 118.97 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.772 -1.195 . . . . 131.72 107.772 172.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -107.32 119.83 40.46 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.332 -0.618 . . . . 128.33 109.332 -177.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -106.49 143.64 34.32 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.185 0.594 . . . . 97.34 109.971 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -140.52 157.23 45.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.401 0.619 . . . . 95.3 109.543 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.4 115.47 16.18 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.371 -0.974 . . . . 83.77 108.371 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.3 p -97.93 -29.59 13.22 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 114.048 1.129 . . . . 84.36 114.048 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.34 116.72 65.97 Favored Pre-proline 0 C--O 1.242 0.663 0 CA-C-N 118.655 0.661 . . . . 82.58 110.111 -173.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' PRO . . . . . 0.484 ' HG3' ' HG2' ' D' ' 78' ' ' GLN . 55.7 Cg_endo -67.58 -26.81 39.61 Favored 'Trans proline' 0 C--O 1.237 0.467 0 CA-C-N 119.242 0.765 . . . . 73.9 113.374 178.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -65.25 -43.89 89.92 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.203 -0.599 . . . . 60.8 110.994 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.52 74.09 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.38 -0.528 . . . . 70.19 111.591 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.53 94.68 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.513 -0.475 . . . . 54.93 111.229 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -72.55 -33.38 66.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.205 -0.598 . . . . 54.02 111.648 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.41 -45.19 93.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.113 0.482 . . . . 53.95 110.198 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' B' ' 40' ' ' MSE . 44.0 t -61.74 -43.29 97.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.964 0.412 . . . . 56.84 110.331 179.027 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -61.83 -34.29 75.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.407 -0.517 . . . . 108.81 111.628 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m -72.19 -47.84 47.67 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.296 -0.562 . . . . 49.02 111.296 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 -40.48 42.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 119.812 -0.755 . . . . 66.32 110.993 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -89.02 77.02 7.73 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.132 -1.803 . . . . 109.03 106.132 167.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -37.48 -41.8 0.47 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.291 -0.868 . . . . 99.43 111.255 -173.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -148.02 -1.37 0.57 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 114.02 1.119 . . . . 130.92 114.02 -161.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -88.32 -40.49 13.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.668 0.618 . . . . 88.62 112.668 -154.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 m -85.36 -55.22 4.12 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.122 -0.631 . . . . 97.22 111.513 -176.1 -33.477 -79.425 -113.992 104.946 2.034 103.727 52.172 -173.346 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 108.11 110.236 179.71 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.467 0.175 . . . . 114.66 110.565 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . 72.01 -7.94 1.22 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.271 1.428 . . . . 104.57 111.47 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -128.71 -28.65 2.45 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.075 -1.454 . . . . 148.52 107.075 165.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLU . . . . . 0.548 ' OE2' ' NH1' ' C' ' 20' ' ' ARG . 31.7 tp10 -64.85 -43.39 93.19 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.702 -0.681 . . . . 130.15 110.572 165.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' MSE . . . . . . . . . . . . . 7.1 ttm -67.69 -37.45 82.33 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.216 -0.303 . . . . 101.06 111.552 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.02 85.98 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.272 -0.571 . . . . 69.09 111.338 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -72.11 -40.27 68.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.418 -0.513 . . . . 88.43 111.208 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ARG . . . . . 0.548 ' NH1' ' OE2' ' C' ' 16' ' ' GLU . 9.4 mtp85 -66.05 -37.12 85.06 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.262 -0.575 . . . . 83.63 111.143 176.254 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.18 80.44 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.361 -0.536 . . . . 50.58 111.581 -176.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -73.13 -37.49 66.63 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.583 -0.847 . . . . 108.62 111.172 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.8 84.63 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.987 -0.685 . . . . 59.32 111.033 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.9 83.46 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.424 -0.51 . . . . 58.24 111.334 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -66.24 -42.58 88.39 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 55.74 110.955 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.49 -36.37 78.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.545 -0.462 . . . . 68.26 110.876 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.8 -42.97 76.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.371 -0.532 . . . . 50.19 111.228 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.96 -33.65 63.96 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.027 -0.669 . . . . 51.85 111.597 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LYS . . . . . 0.601 ' HG2' ' HB1' ' D' ' 32' ' ' ALA . 3.3 mtmm -60.45 -35.42 75.82 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.064 -0.654 . . . . 73.29 111.579 175.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -24.77 60.91 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.276 -0.569 . . . . 58.41 111.649 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 94.7 mt -99.21 -15.72 18.81 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.661 0.985 . . . . 60.13 113.661 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 61.35 2.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 122.605 1.193 . . . . 70.58 110.415 179.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -150.7 116.75 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 107.314 -1.365 . . . . 71.33 107.314 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -59.15 -38.74 80.44 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.449 0.468 . . . . 97.77 111.288 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLY . . . . . 0.566 ' O ' ' O ' ' C' ' 301' ' ' HOH . . . -67.25 -26.75 73.43 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.429 -0.891 . . . . 89.47 113.474 178.192 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ARG . . . . . 0.406 ' HG2' ' HB3' ' C' ' 67' ' ' GLN . 82.0 mtm-85 -92.58 -24.27 18.77 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.131 0.789 . . . . 70.13 113.131 177.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.04 -38.77 72.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.267 0.485 . . . . 64.18 111.608 -176.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' MSE . . . . . 0.663 ' HB3' ' HE3' ' D' ' 17' ' ' MSE . 46.9 mtm -69.12 -36.03 77.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.045 -0.41 . . . . 110.7 110.738 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 54.9 mt -58.6 -47.48 88.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.569 -0.742 . . . . 53.48 110.175 175.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' MSE . . . . . . . . . . . . . 79.3 mmm -60.26 -38.86 84.8 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.636 0.375 . . . . 78.3 111.343 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.34 -43.57 90.5 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.727 -0.67 . . . . 71.23 111.14 177.598 -176.095 63.738 -111.713 104.764 2.038 104.029 -83.697 -41.328 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' TYR . . . . . 0.55 ' CE2' ' HE1' ' D' ' 17' ' ' MSE . 0.9 OUTLIER -62.86 -44.41 96.19 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.811 -0.356 . . . . 77.77 110.825 176.059 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.85 -26.6 66.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.529 -0.468 . . . . 64.48 111.413 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.42 72.29 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.053 -0.659 . . . . 63.77 111.241 174.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 40.3 t -72.86 -24.31 60.86 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.225 0.454 . . . . 68.76 112.225 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.87 163.53 13.63 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 122.102 0.835 . . . . 56.39 111.306 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.24 140.52 49.55 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.772 -0.714 . . . . 61.77 110.333 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -142.41 146.92 35.38 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.455 -0.572 . . . . 65.27 109.455 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 58.8 p -85.33 173.31 10.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.804 0.811 . . . . 65.62 110.218 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.13 -48.19 88.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 115.399 -0.818 . . . . 67.46 110.348 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 19.4 p -68.04 -33.19 74.1 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.362 -0.535 . . . . 90.72 111.778 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' GLU . . . . . 0.434 ' O ' ' NH2' ' C' ' 56' ' ' ARG . 50.5 mt-10 -65.36 -32.78 74.59 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.006 -0.678 . . . . 73.94 111.552 175.609 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.31 -36.81 39.03 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.647 -0.421 . . . . 66.89 111.378 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -66.3 -25.35 66.81 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.495 -0.482 . . . . 92.6 111.543 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 2.4 m -71.95 -38.79 69.75 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.157 -0.617 . . . . 81.73 110.949 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' C' ' 52' ' ' GLU . 62.3 mtt85 -83.74 -22.24 32.02 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 113.216 0.821 . . . . 81.15 113.216 -177.499 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.3 133.45 55.73 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.382 0.537 . . . . 90.53 109.758 -178.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.918 0.866 . . . . 106.6 110.404 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.19 -36.9 85.56 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.255 -0.884 . . . . 163.47 111.631 -175.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -41.18 92.46 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.378 -0.529 . . . . 178.6 111.686 -174.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -97.82 0.71 47.27 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.382 0.882 . . . . 162.21 113.382 -175.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.0 118.05 2.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.61 0.641 . . . . 127.22 109.697 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.26 83.62 6.47 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.259 -1.756 . . . . 89.67 106.259 162.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -59.61 -49.38 83.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 114.613 -1.176 . . . . 63.59 111.036 -160.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -63.38 -39.59 94.93 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.201 -0.6 . . . . 72.79 111.643 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -71.37 -44.84 64.23 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.956 -0.698 . . . . 102.77 111.406 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 67' ' ' GLN . . . . . 0.406 ' HB3' ' HG2' ' C' ' 36' ' ' ARG . 53.0 mm-40 -67.64 -29.99 69.44 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.246 -0.582 . . . . 94.1 111.619 -178.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.75 -45.0 79.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.239 -0.585 . . . . 56.01 110.833 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.86 76.53 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.371 -0.532 . . . . 58.66 111.401 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -66.42 -44.2 83.58 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.529 -0.468 . . . . 86.1 111.156 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.24 -33.38 75.87 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.525 -0.47 . . . . 54.08 111.607 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -72.46 -41.69 65.81 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.219 -0.592 . . . . 50.59 111.268 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 66.9 mt -70.72 -19.06 62.78 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.388 -0.525 . . . . 59.12 112.045 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 74' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' C' ' 302' ' ' HOH . 24.8 mm-40 -85.46 2.4 44.72 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.547 0.573 . . . . 89.16 112.547 171.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.2 9.95 84.21 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 114.959 0.744 . . . . 50.43 114.959 -178.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.06 -7.77 44.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.202 1.001 . . . . 62.44 113.428 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 77' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' C' ' 90' ' ' LEU . 35.1 m -147.98 161.13 7.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 107.858 -1.164 . . . . 54.84 107.858 171.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -129.44 162.06 28.96 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.207 -0.664 . . . . 75.58 109.207 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -131.99 157.22 44.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 122.009 0.909 . . . . 52.96 111.495 -170.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -153.56 158.34 41.08 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.892 -1.521 . . . . 56.11 106.892 171.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 81' ' ' ARG . . . . . 0.552 ' NH2' ' O3 ' ' C' ' 202' ' ' SO4 . 1.2 ptm180 -137.55 148.71 46.16 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.817 -0.753 . . . . 62.27 111.103 -175.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -116.25 93.65 4.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 105.194 -2.15 . . . . 80.2 105.194 169.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.23 -110.19 3.05 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.81 . . . . 58.11 111.378 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -106.22 -6.16 18.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.353 0.871 . . . . 87.1 113.353 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 85.8 m -83.63 114.81 21.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.911 -0.774 . . . . 65.56 108.911 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mt -104.15 122.05 56.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.776 -0.824 . . . . 59.24 108.776 -175.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -101.31 139.94 36.29 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.121 0.568 . . . . 65.11 110.283 178.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 88' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.96 148.01 44.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.134 0.574 . . . . 47.64 110.197 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.8 p -148.49 170.47 17.97 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.191 -0.67 . . . . 51.2 109.191 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 90' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' C' ' 77' ' ' VAL . 5.8 mt -59.64 -65.38 0.68 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.358 -0.837 . . . . 94.42 112.407 -163.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 91' ' ' SER . . . . . 0.555 ' O ' ' OG ' ' C' ' 91' ' ' SER . 0.9 OUTLIER 66.24 11.95 8.24 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.908 1.447 . . . . 66.29 114.908 173.95 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -151.53 109.37 2.95 Favored Pre-proline 0 C--O 1.238 0.465 0 CA-C-N 119.489 1.041 . . . . 79.96 110.778 174.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 93' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.54 -26.68 46.72 Favored 'Trans proline' 0 C--O 1.237 0.459 0 N-CA-C 113.811 0.658 . . . . 57.96 113.811 -175.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 94' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.67 -52.12 62.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.829 0.74 . . . . 54.0 110.864 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.38 78.94 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.564 -0.455 . . . . 56.34 111.275 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.65 91.83 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.386 -0.526 . . . . 58.69 111.212 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -71.86 -36.01 69.98 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.351 -0.54 . . . . 83.67 111.313 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.19 -46.51 93.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.407 -0.517 . . . . 53.29 110.106 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 37.1 t -59.81 -44.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.978 0.418 . . . . 63.11 110.509 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 100' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -62.57 -32.36 73.32 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.978 -0.452 . . . . 107.01 111.816 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -74.88 -48.81 22.94 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.717 -0.393 . . . . 66.13 111.673 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 102' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.19 -21.24 15.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 112.633 0.605 . . . . 78.95 112.633 -177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 103' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -92.35 -13.9 29.53 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.784 0.661 . . . . 74.85 112.784 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 54.37 57.33 5.94 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.028 0.918 . . . . 97.52 111.037 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 55.56 21.44 4.45 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.77 -1.104 . . . . 126.78 113.197 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.46 -32.63 74.33 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.486 -0.486 . . . . 85.27 111.395 172.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 107' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.52 -16.57 41.88 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.845 0.683 . . . . 97.17 112.845 -178.133 -41.328 -83.697 -111.713 104.029 2.038 104.764 63.738 -176.095 1 1 . 1 . 001 ecloud build full ' C' C ' 108' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 118.375 0.534 . . . . 93.05 110.139 -179.074 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 109.18 111.026 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.87 160.7 30.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.892 0.853 . . . . 103.28 110.964 -176.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.53 141.48 53.85 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.255 -0.884 . . . . 96.15 110.224 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -62.39 115.48 4.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.531 . . . . 89.64 109.631 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.71 65.23 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.33 0.493 . . . . 82.3 112.33 -172.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.68 -28.29 18.45 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.594 0.961 . . . . 125.12 113.594 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' D' ' 20' ' ' ARG . 1.1 tt0 -78.63 -25.49 45.06 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.07 -1.052 . . . . 87.81 111.395 175.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 17' ' ' MSE . . . . . 0.663 ' HE3' ' HB3' ' C' ' 38' ' ' MSE . 46.4 ttp -65.57 -42.74 91.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.117 -0.697 . . . . 114.92 109.117 172.273 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.18 72.41 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.724 -0.671 . . . . 72.69 111.511 176.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -72.77 -46.16 54.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.535 -0.466 . . . . 81.54 110.811 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ARG . . . . . 0.538 ' HG2' HD13 ' B' ' 73' ' ' LEU . 2.8 mtp85 -63.11 -34.66 78.08 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.605 -0.438 . . . . 87.87 111.464 176.996 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.32 72.86 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.453 -0.499 . . . . 63.97 111.556 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -65.87 -40.9 92.08 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.656 -0.818 . . . . 102.74 110.978 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.66 90.03 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.164 -0.615 . . . . 70.54 110.985 175.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.52 84.41 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.552 -0.459 . . . . 55.53 111.276 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' SER . . . . . . . . . . . . . 42.5 t -63.6 -42.76 98.21 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.25 -0.58 . . . . 67.25 111.17 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ASN . . . . . 0.7 ' OD1' ' O ' ' D' ' 302' ' ' HOH . 93.4 m-20 -64.94 -34.55 78.68 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.098 -0.641 . . . . 57.48 111.36 177.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 27' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' D' ' 95' ' ' ALA . 49.2 tp -67.81 -42.51 81.42 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.322 -0.551 . . . . 63.4 111.21 178.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.53 -36.4 73.7 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.159 -0.617 . . . . 57.93 111.267 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -59.0 -39.39 81.7 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.37 -0.532 . . . . 67.61 110.965 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.77 65.66 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.389 -0.524 . . . . 50.24 111.626 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.09 -14.19 19.51 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.522 0.934 . . . . 54.66 113.522 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' ALA . . . . . 0.601 ' HB1' ' HG2' ' C' ' 29' ' ' LYS . . . -78.75 60.85 2.88 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.467 1.127 . . . . 64.18 111.009 -174.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -149.47 130.12 14.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.774 -1.103 . . . . 58.47 108.121 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.07 -44.82 96.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.36 -0.536 . . . . 73.26 111.965 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.07 99.93 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.016 -1.087 . . . . 57.68 112.916 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 36' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' D' ' 40' ' ' MSE . 9.9 mtt180 -69.07 -38.15 78.87 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.133 -0.627 . . . . 95.01 111.662 -176.49 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.07 -35.62 81.34 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.421 -0.511 . . . . 54.68 111.502 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' MSE . . . . . . . . . . . . . 28.2 mtm -64.91 -37.51 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.034 -0.416 . . . . 84.81 110.704 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -61.14 -48.15 90.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.041 -0.527 . . . . 67.94 110.289 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' MSE . . . . . 0.443 ' HG2' ' O ' ' D' ' 36' ' ' ARG . 26.6 mmm -63.47 -32.14 73.49 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.952 -0.467 . . . . 95.02 112.205 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 49.0 t -65.84 -42.94 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.628 -0.829 . . . . 78.49 111.118 177.248 -174.124 60.811 -105.361 104.554 2.04 105.605 -89.756 -39.004 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' TYR . . . . . 0.416 ' CE1' ' HD3' ' D' ' 56' ' ' ARG . 4.0 m-85 -67.88 -39.26 83.71 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.089 -0.645 . . . . 74.65 111.175 176.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.24 -16.61 61.93 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.423 0.527 . . . . 70.59 112.423 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.87 66.92 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.337 -0.545 . . . . 74.71 111.656 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -72.29 -29.69 64.11 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.332 -0.547 . . . . 97.89 111.369 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.54 169.63 24.06 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.322 -1.111 . . . . 105.19 110.322 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.89 143.98 55.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.788 -0.706 . . . . 98.27 110.224 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -133.56 162.27 32.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.639 0.733 . . . . 90.56 109.36 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 49' ' ' SER . . . . . 0.668 ' OG ' ' N ' ' D' ' 52' ' ' GLU . 1.3 p -65.26 -176.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.079 0.943 . . . . 100.5 110.245 173.173 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -88.18 -33.62 6.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.487 -0.779 . . . . 91.92 110.548 156.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 51' ' ' THR . . . . . 0.498 ' N ' ' OG ' ' D' ' 49' ' ' SER . 32.0 p -75.87 -50.36 15.29 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 122.162 -0.336 . . . . 102.85 111.678 -176.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 52' ' ' GLU . . . . . 0.668 ' N ' ' OG ' ' D' ' 49' ' ' SER . 9.0 pt-20 -66.77 -10.34 46.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.337 -0.945 . . . . 118.99 112.038 176.144 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 53' ' ' LEU . . . . . . . . . . . . . 12.8 mt -79.12 -47.9 15.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 117.978 0.353 . . . . 84.8 110.945 166.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' D' ' 51' ' ' THR . 16.1 pt-20 -73.86 -17.65 61.03 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.173 -0.611 . . . . 106.43 112.459 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 55' ' ' THR . . . . . 0.406 HG23 ' O ' ' D' ' 51' ' ' THR . 69.1 p -79.16 -41.92 27.34 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.691 -0.803 . . . . 107.32 111.329 171.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 56' ' ' ARG . . . . . 0.416 ' HD3' ' CE1' ' D' ' 42' ' ' TYR . 1.5 ttt180 -75.38 -17.21 60.27 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.704 0.631 . . . . 102.51 112.704 179.647 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -97.15 -49.11 5.1 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.561 0.578 . . . . 96.33 112.561 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m 61.4 20.24 10.96 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.472 1.109 . . . . 137.3 112.881 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 59' ' ' THR . . . . . . . . . . . . . 1.2 t -70.71 -50.03 40.68 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.957 -0.697 . . . . 131.07 110.959 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 60' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -175.81 152.91 1.31 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.1 -1.074 . . . . 142.63 108.1 171.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -78.31 6.4 8.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.226 0.824 . . . . 136.59 113.226 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.15 -27.91 2.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.448 0.567 . . . . 116.32 110.177 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.62 74.67 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.504 -0.479 . . . . 100.53 111.268 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.47 -48.17 88.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.179 0.514 . . . . 74.91 110.512 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -34.41 77.79 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.257 -0.577 . . . . 80.57 111.884 -175.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.48 -40.0 70.54 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.481 -0.888 . . . . 112.59 110.927 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 67' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -68.63 -29.15 67.59 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.739 -0.384 . . . . 63.45 111.034 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -42.0 80.43 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.507 -0.477 . . . . 73.09 110.931 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 69' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' D' ' 73' ' ' LEU . . . -62.74 -45.55 92.18 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.754 -0.378 . . . . 60.64 111.022 178.419 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -37.99 89.43 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.089 -0.645 . . . . 96.56 111.062 -179.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.1 -33.62 76.45 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.079 -0.648 . . . . 59.73 111.277 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -73.41 -42.68 61.78 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.601 -0.439 . . . . 73.6 111.259 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 73' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' D' ' 69' ' ' ALA . 17.9 mt -64.09 -26.53 68.59 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.38 -0.528 . . . . 75.02 111.885 179.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 74' ' ' GLU . . . . . 0.761 ' OE1' ' O ' ' D' ' 301' ' ' HOH . 56.5 mm-40 -86.57 0.78 53.7 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.806 0.669 . . . . 76.99 112.806 176.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.77 12.6 81.21 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.369 0.907 . . . . 56.3 115.369 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 76' ' ' LEU . . . . . . . . . . . . . 24.2 mt -90.67 -22.79 20.99 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.398 1.099 . . . . 59.92 113.41 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.31 156.1 42.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.729 0.776 . . . . 64.04 109.21 176.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 78' ' ' GLN . . . . . 0.551 ' HG3' ' HB2' ' D' ' 91' ' ' SER . 27.5 mt-30 -122.41 168.07 12.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.089 -0.959 . . . . 102.66 109.85 178.45 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 79' ' ' SER . . . . . 0.545 ' HB3' HD11 ' D' ' 86' ' ' ILE . 2.6 m -126.55 141.79 51.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.406 -0.815 . . . . 92.24 110.215 -179.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 80' ' ' ARG . . . . . 0.408 ' O ' HD12 ' D' ' 86' ' ' ILE . 24.0 ptt85 -142.3 157.73 44.5 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.404 -0.961 . . . . 116.91 108.404 172.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttp-105 -120.65 141.0 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 126.47 110.702 -168.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -129.73 47.65 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.153 0.981 . . . . 132.23 109.933 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.55 -107.46 3.3 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.581 -0.607 . . . . 125.89 111.581 -177.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -106.09 26.27 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.494 -0.415 . . . . 122.53 111.506 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 85' ' ' THR . . . . . . . . . . . . . 4.1 m -116.53 136.72 52.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.063 -0.717 . . . . 117.03 109.063 171.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 86' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' D' ' 79' ' ' SER . 9.6 tp -111.77 123.17 67.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 107.584 -1.265 . . . . 110.51 107.584 173.76 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -109.74 123.53 49.68 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.796 -0.816 . . . . 116.31 108.796 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 88' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -97.49 141.95 29.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.459 -0.571 . . . . 81.87 109.459 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.9 m -132.91 154.75 50.11 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.482 0.658 . . . . 84.28 109.74 -175.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mt -69.7 121.08 16.47 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.171 -0.922 . . . . 88.18 109.668 171.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 91' ' ' SER . . . . . 0.551 ' HB2' ' HG3' ' D' ' 78' ' ' GLN . 1.3 t -104.25 -46.06 4.52 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.136 0.791 . . . . 75.71 113.136 -171.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.54 119.57 69.06 Favored Pre-proline 0 C--O 1.238 0.486 0 N-CA-C 109.649 -0.5 . . . . 89.03 109.649 -173.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 93' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.93 -27.71 42.87 Favored 'Trans proline' 0 C--O 1.239 0.532 0 CA-C-N 119.225 0.759 . . . . 75.93 113.294 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 94' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -62.91 -48.59 78.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.476 0.58 . . . . 65.66 110.856 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 95' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' D' ' 27' ' ' LEU . . . -65.17 -31.71 73.03 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.5 -0.48 . . . . 58.26 111.503 178.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.83 85.64 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.479 -0.488 . . . . 61.0 111.183 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 97' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -73.43 -35.99 65.88 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.122 -0.631 . . . . 72.93 111.233 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.8 -45.49 98.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.198 0.523 . . . . 62.85 110.17 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 99' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.28 -45.28 96.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.173 0.511 . . . . 62.66 110.323 177.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.77 -34.53 74.61 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.0 -0.438 . . . . 107.22 111.717 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 101' ' ' THR . . . . . . . . . . . . . 82.5 m -74.03 -46.19 44.99 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.594 -0.442 . . . . 61.95 111.312 -176.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 102' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.78 -22.92 16.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 112.534 0.568 . . . . 73.53 112.534 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 103' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.12 -22.24 17.44 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.515 0.932 . . . . 73.52 113.515 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 104' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 56.38 66.98 1.06 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.91 0.862 . . . . 106.77 111.592 171.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 70.35 3.43 4.45 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.725 1.21 . . . . 129.6 112.711 173.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 106' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -73.75 -37.47 65.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.89 0.768 . . . . 94.73 111.442 -175.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 107' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.97 -19.31 24.64 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 112.876 0.695 . . . . 92.67 112.876 175.819 -39.004 -89.756 -105.361 105.605 2.04 104.554 60.811 -174.124 1 1 . 1 . 001 ecloud build full ' D' D ' 108' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 118.103 0.411 . . . . 109.43 110.874 177.316 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' SO4 . . . . . 0.494 ' O1 ' ' N ' ' A' ' 79' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' SO4 . . . . . 0.552 ' O3 ' ' NH2' ' C' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.765 ' O ' ' OE2' ' A' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . 0.733 ' O ' ' O ' ' A' ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . 0.54 ' O ' ' O ' ' B' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . 0.415 ' O ' ' OG1' ' B' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 301' ' ' HOH . . . . . 0.566 ' O ' ' O ' ' C' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 302' ' ' HOH . . . . . 0.404 ' O ' ' OE1' ' C' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 301' ' ' HOH . . . . . 0.761 ' O ' ' OE1' ' D' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 302' ' ' HOH . . . . . 0.7 ' O ' ' OD1' ' D' ' 26' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.369 . . . . 93.78 110.673 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -29.11 64.38 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.22 -0.592 . . . . 119.54 111.077 173.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -68.94 -31.25 70.0 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.48 -0.488 . . . . 103.37 111.061 170.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 10.9 ttm -63.02 -42.18 99.73 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.367 -0.208 . . . . 126.05 111.374 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.89 -37.56 87.86 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.362 -0.535 . . . . 81.63 111.356 -179.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.8 m -68.55 -43.6 76.28 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.253 -0.579 . . . . 67.2 111.157 177.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 mtp85 -66.84 -37.73 85.04 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.219 -0.592 . . . . 75.87 111.244 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.2 86.82 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 120.551 -0.459 . . . . 58.47 111.431 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.423 ' CZ ' HD21 ' A' ' 26' ' ' ASN . 0.3 OUTLIER -72.52 -41.39 65.91 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.759 -0.376 . . . . 106.04 111.249 -177.281 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.11 84.97 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.642 -0.423 . . . . 45.46 110.965 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.76 -45.03 84.05 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.622 -0.431 . . . . 51.21 111.2 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.1 p -66.26 -35.73 81.18 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.945 -0.702 . . . . 69.24 111.214 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.423 HD21 ' CZ ' ' A' ' 22' ' ' ARG . 87.6 m-20 -62.34 -36.57 82.62 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.986 -0.686 . . . . 57.18 111.025 174.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 54.8 tp -68.76 -43.23 76.2 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.389 -0.524 . . . . 50.76 111.133 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 29.2 mt -67.45 -35.99 80.3 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.172 -0.611 . . . . 50.12 111.283 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.8 mttp -58.38 -41.5 84.97 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.454 -0.499 . . . . 71.74 111.095 176.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.75 -18.85 62.77 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.353 0.501 . . . . 54.15 112.353 179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 81.7 mt -104.86 -11.13 16.9 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 113.843 1.053 . . . . 48.37 113.843 -178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.13 68.39 6.26 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 122.624 1.202 . . . . 55.07 109.975 -176.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.615 ' HE1' HE21 ' A' ' 67' ' ' GLN . 64.5 t-80 -159.26 127.69 5.13 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.842 -1.072 . . . . 70.59 108.171 179.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -62.0 -45.14 94.93 Favored 'General case' 0 C--O 1.237 0.428 0 O-C-N 123.508 0.505 . . . . 79.24 111.513 -174.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -65.4 -42.09 96.13 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.118 -1.039 . . . . 50.71 112.867 -179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 87.1 mtm-85 -66.37 -40.06 89.5 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.27 -0.572 . . . . 64.64 111.155 177.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.82 -31.19 70.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.929 -0.309 . . . . 48.42 111.391 177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MSE . . . . . 0.404 'SE ' ' HA ' ' B' ' 18' ' ' ALA . 7.2 tpp -69.73 -38.22 76.78 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.737 0.303 . . . . 107.97 110.407 178.297 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.75 -42.28 89.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.934 -0.576 . . . . 46.88 110.525 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' MSE . . . . . 0.409 ' HB3' HG21 ' A' ' 99' ' ' VAL . 49.7 mmm -58.54 -44.45 89.63 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.355 0.597 . . . . 62.91 110.675 178.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.12 -48.33 82.15 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 114.742 -1.117 . . . . 53.23 111.549 -179.679 -171.478 61.969 -113.335 104.758 2.033 104.072 -89.734 -40.533 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.523 ' CE2' ' HE1' ' B' ' 17' ' ' MSE . 5.6 m-85 -59.99 -42.34 94.0 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.745 -0.382 . . . . 54.45 110.766 176.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.1 mt -72.63 -16.17 61.72 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 112.402 0.519 . . . . 50.42 112.402 -179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.11 -22.73 65.79 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.377 -0.529 . . . . 53.86 112.164 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 85.2 p -91.33 8.55 35.51 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.856 0.687 . . . . 54.42 112.856 176.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 126.22 169.77 12.86 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-O 122.38 0.989 . . . . 43.1 112.151 175.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.62 142.34 49.72 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 114.184 -1.008 . . . . 63.31 110.696 -178.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -145.23 150.34 36.52 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.379 -0.6 . . . . 49.58 109.379 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 54.1 p -87.62 171.02 10.78 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.896 0.855 . . . . 56.38 110.584 -178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.78 -44.66 89.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.462 0 CA-C-N 115.289 -0.869 . . . . 55.39 110.727 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 p -65.7 -33.94 77.05 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 119.939 -0.704 . . . . 74.79 111.54 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.89 -43.25 98.74 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.343 -0.543 . . . . 73.29 111.018 174.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 23.7 mt -73.22 -39.51 65.46 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.251 -0.58 . . . . 57.23 111.292 179.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.67 -32.59 72.78 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 119.885 -0.726 . . . . 83.78 111.351 175.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -71.0 -38.99 72.67 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.701 -0.4 . . . . 57.6 111.345 176.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 48.2 mtt85 -78.83 -31.06 45.61 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 112.348 0.499 . . . . 66.86 112.348 -176.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 88.8 mt -89.79 134.86 33.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.991 0.424 . . . . 65.01 110.674 -173.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -68.91 -43.08 75.94 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.718 -0.674 . . . . 114.05 111.821 -174.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 32.0 p -65.29 170.4 4.75 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 122.133 0.968 . . . . 94.64 111.064 -171.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -68.61 149.03 49.63 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.053 -0.976 . . . . 105.24 111.025 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -65.28 -21.08 66.68 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.368 -0.833 . . . . 101.01 112.762 -174.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.733 ' O ' ' O ' ' A' ' 302' ' ' HOH . . . -66.53 -35.2 79.66 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.875 -0.73 . . . . 95.47 111.296 174.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.15 -33.78 65.68 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.183 -0.607 . . . . 66.98 111.55 175.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.21 -46.82 94.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.177 0.513 . . . . 81.69 110.436 -178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 m -66.38 -34.54 78.19 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 122.054 -0.404 . . . . 95.62 111.791 -177.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -67.46 -42.31 83.26 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.149 -0.62 . . . . 103.65 111.058 175.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.615 HE21 ' HE1' ' A' ' 33' ' ' HIS . 42.6 mt-30 -64.6 -36.5 84.44 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.319 -0.552 . . . . 73.47 110.987 176.862 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 36.5 mt -65.59 -43.79 88.64 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.485 -0.486 . . . . 59.23 111.023 175.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.06 -37.95 86.91 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.453 -0.499 . . . . 55.16 111.087 178.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -66.02 -48.28 71.66 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.695 -0.402 . . . . 62.33 111.06 178.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.0 mt -60.22 -32.74 71.4 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.459 -0.496 . . . . 54.67 111.501 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -75.83 -46.34 30.98 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.737 -0.385 . . . . 76.35 111.619 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.38 -20.17 65.52 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 119.392 -0.923 . . . . 52.59 111.98 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.765 ' OE2' ' O ' ' A' ' 301' ' ' HOH . 58.4 mm-40 -83.47 0.6 45.63 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 112.645 0.609 . . . . 81.03 112.645 172.108 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.79 9.64 70.6 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-O 119.476 -0.624 . . . . 51.64 114.633 -177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.2 mt -88.18 -7.76 56.38 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 117.988 0.894 . . . . 60.95 113.402 -176.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 29.1 m -146.21 158.73 11.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 N-CA-C 107.78 -1.193 . . . . 52.26 107.78 170.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -124.62 160.43 28.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.402 0.62 . . . . 67.79 109.573 172.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . 0.494 ' N ' ' O1 ' ' A' ' 202' ' ' SO4 . 3.5 p -133.76 158.11 44.16 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.78 0.8 . . . . 61.48 110.402 -175.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 53.6 ptt85 -150.41 154.91 38.58 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 107.798 -1.186 . . . . 61.13 107.798 173.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 8.8 mtt85 -114.5 134.39 55.06 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.026 -0.533 . . . . 116.64 109.953 -176.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -125.45 87.64 2.73 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 106.001 -1.851 . . . . 102.2 106.001 174.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 70.85 -113.45 4.77 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 116.163 -0.471 . . . . 87.4 111.966 -174.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.548 ' H ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -95.07 -1.77 51.5 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.74 0.644 . . . . 84.41 112.74 177.156 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.8 m -96.29 141.09 30.05 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 123.013 0.525 . . . . 84.06 110.202 -178.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 55.9 mt -119.0 120.35 63.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 107.7 -1.222 . . . . 61.11 107.7 174.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -105.26 141.04 37.48 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 123.111 0.564 . . . . 72.21 109.94 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -121.59 147.47 45.79 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 122.817 0.447 . . . . 60.33 110.437 -178.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 p -148.58 172.39 14.6 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.428 0.632 . . . . 51.77 109.397 179.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 mt -64.35 -60.43 3.18 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.322 -0.854 . . . . 98.88 112.602 -162.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . 0.539 ' O ' ' OG ' ' A' ' 91' ' ' SER . 1.0 OUTLIER 66.34 11.46 7.97 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 115.383 1.623 . . . . 80.42 115.383 172.713 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -154.03 110.0 2.48 Favored Pre-proline 0 C--O 1.238 0.47 0 CA-C-N 119.695 1.134 . . . . 66.82 111.346 173.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -69.35 -26.66 29.28 Favored 'Trans proline' 0 C--O 1.237 0.456 0 N-CA-C 113.834 0.667 . . . . 49.74 113.834 -176.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 25.3 mtm180 -65.16 -46.37 81.13 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 118.786 0.721 . . . . 51.56 110.917 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.43 -33.8 75.9 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.524 -0.471 . . . . 48.13 111.672 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.75 -35.9 82.12 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.132 -0.627 . . . . 41.22 111.135 178.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -71.39 -37.2 71.57 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.987 -0.685 . . . . 79.64 111.289 178.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.7 t -65.18 -48.66 82.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 CA-C-O 121.213 0.53 . . . . 50.93 110.164 177.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.409 HG21 ' HB3' ' A' ' 40' ' ' MSE . 34.8 t -57.86 -44.61 86.7 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.163 0.506 . . . . 49.27 110.388 177.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -58.3 -36.58 73.55 Favored 'General case' 0 C--O 1.237 0.447 0 O-C-N 122.159 -0.338 . . . . 79.91 111.331 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 51.0 m -74.45 -48.69 25.94 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 122.13 -0.356 . . . . 47.79 111.583 -176.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 19.9 m -71.5 -27.01 27.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 C-N-CA 120.024 -0.67 . . . . 49.95 111.004 -173.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -87.3 -10.31 52.65 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 112.839 0.681 . . . . 50.51 112.839 175.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 52.43 51.44 16.18 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.888 0.851 . . . . 85.48 110.888 -173.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 61.68 21.83 12.47 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 124.091 0.956 . . . . 120.98 112.679 175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.75 -33.28 75.61 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.45 -0.5 . . . . 53.76 111.63 177.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 4.1 m -79.69 -19.88 47.9 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.687 0.625 . . . . 73.24 112.687 177.832 -40.533 -89.734 -113.335 104.072 2.033 104.758 61.969 -171.478 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 74.5 m -67.68 -7.29 25.66 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 112.457 0.54 . . . . 91.6 112.457 172.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 91.9 8.92 63.0 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-O 119.169 -0.795 . . . . 113.68 113.815 -166.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 N--CA 1.462 0.141 0 CA-C-N 117.913 0.856 . . . . 110.0 110.849 -176.729 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 5.0 ttp . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 121.119 0.485 . . . . 131.45 111.084 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.13 8.12 39.48 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-O 119.329 -0.706 . . . . 61.72 114.596 -172.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' SER . . . . . 0.488 ' HB3' ' CG ' ' B' ' 6' ' ' ASP . 5.5 t -57.58 153.64 12.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 118.293 1.046 . . . . 89.37 111.456 -179.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.07 -50.36 55.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 114.758 -1.11 . . . . 96.7 110.489 176.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 5.7 p -61.13 -27.52 68.45 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.771 -0.372 . . . . 92.14 111.541 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.488 ' CG ' ' HB3' ' B' ' 3' ' ' SER . 9.4 m-20 -80.69 -51.27 8.88 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 111.831 0.308 . . . . 112.67 111.831 -175.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.54 ' O ' ' O ' ' B' ' 302' ' ' HOH . 29.2 mm-40 -66.15 -20.72 66.23 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.134 -0.626 . . . . 62.0 112.12 176.112 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mtt180 -76.45 -41.26 47.99 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 118.066 0.394 . . . . 84.35 111.297 173.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 30.1 m -58.79 -39.42 81.01 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.448 -0.501 . . . . 78.0 111.083 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.96 -11.09 59.63 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 113.404 0.89 . . . . 62.23 113.404 -177.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -104.7 126.26 51.61 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 118.709 0.686 . . . . 59.98 110.006 -177.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -69.96 125.3 26.34 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.113 -0.494 . . . . 52.14 110.09 178.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -84.26 118.88 24.46 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.272 -0.422 . . . . 59.68 110.3 -174.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.28 -26.11 65.49 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 112.354 0.501 . . . . 80.65 112.354 -177.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -89.07 -23.76 22.46 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 119.548 -0.861 . . . . 72.64 113.09 -176.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -67.51 -35.12 78.51 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.342 -0.943 . . . . 63.25 110.881 165.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' MSE . . . . . 0.523 ' HE1' ' CE2' ' A' ' 42' ' ' TYR . 8.2 ttm -65.26 -41.18 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 123.942 0.897 . . . . 82.44 110.193 175.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.404 ' HA ' 'SE ' ' A' ' 38' ' ' MSE . . . -60.92 -40.38 92.96 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.002 -0.544 . . . . 45.87 111.148 176.892 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' B' ' 303' ' ' HOH . 54.3 m -64.76 -45.86 84.57 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.854 -0.338 . . . . 58.68 110.912 177.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -66.62 -34.26 77.48 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.212 -0.595 . . . . 74.91 111.642 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.6 87.49 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.374 -0.53 . . . . 45.56 111.373 -177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -67.88 -43.04 80.26 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.943 -0.703 . . . . 80.0 111.358 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.46 -44.65 90.41 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.0 -0.68 . . . . 51.02 110.976 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.91 -34.84 79.35 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.685 -0.406 . . . . 45.23 111.694 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' SER . . . . . . . . . . . . . 31.2 t -60.97 -45.42 94.84 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.523 -0.471 . . . . 65.79 110.922 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -65.41 -33.69 76.55 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 120.316 -0.554 . . . . 60.63 111.572 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 49.4 tp -68.84 -43.01 76.36 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.128 -0.629 . . . . 57.0 111.215 179.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.28 -34.54 72.91 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.263 -0.575 . . . . 57.15 111.709 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 19.4 mttm -57.09 -40.71 77.5 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.51 -0.476 . . . . 54.3 111.088 174.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.52 -22.36 61.79 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.482 0.549 . . . . 61.01 112.482 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 91.0 mt -102.42 -14.39 16.89 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 113.521 0.934 . . . . 57.4 113.521 -177.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.86 62.01 2.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 122.562 1.172 . . . . 55.25 110.781 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 -152.33 127.39 9.73 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 107.651 -1.24 . . . . 78.53 107.651 -179.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -63.17 -43.46 98.2 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.595 0.56 . . . . 85.36 111.615 -173.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -64.99 -46.5 89.06 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.023 -1.084 . . . . 57.79 112.555 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.407 ' O ' ' HG2' ' B' ' 40' ' ' MSE . 82.2 mtm-85 -63.84 -35.88 82.09 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 122.223 -0.575 . . . . 77.59 111.122 177.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -62.87 -35.5 80.19 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.482 -0.487 . . . . 65.07 111.089 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' MSE . . . . . . . . . . . . . 22.4 mtm -71.8 -35.65 70.04 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.886 0.374 . . . . 114.44 110.07 -177.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 72.5 mt -62.23 -41.18 90.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-N 115.972 -0.558 . . . . 70.55 110.308 174.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' MSE . . . . . 0.878 ' HE2' ' HA ' ' B' ' 40' ' ' MSE . 5.5 mmt -64.89 -37.95 89.35 Favored 'General case' 0 C--N 1.329 -0.309 0 O-C-N 121.957 -0.465 . . . . 92.56 111.605 -178.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' CYS . . . . . . . . . . . . . 48.3 t -65.37 -44.4 87.7 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.909 -0.587 . . . . 89.07 111.23 178.409 -173.346 52.172 -113.992 103.727 2.034 104.946 -79.425 -33.477 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' TYR . . . . . 0.416 ' CE1' ' HD3' ' B' ' 56' ' ' ARG . 2.7 m-85 -63.09 -42.72 99.68 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.359 -0.537 . . . . 82.54 111.044 178.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.8 mt -71.03 -19.5 62.5 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 112.387 0.514 . . . . 73.96 112.387 179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.77 -27.72 67.0 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 120.218 -0.593 . . . . 83.54 111.424 176.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -70.15 -28.22 65.18 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.486 -0.485 . . . . 106.82 111.438 175.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLY . . . . . . . . . . . . . . . 154.93 -179.55 30.89 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 110.339 -1.104 . . . . 98.75 110.339 -178.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.43 133.67 56.32 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 114.534 -0.833 . . . . 125.95 110.647 179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -143.19 146.3 33.57 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 109.374 -0.602 . . . . 93.54 109.374 179.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -92.87 162.94 13.89 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.426 -0.806 . . . . 104.35 110.999 -173.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.446 HG23 ' HB ' ' B' ' 86' ' ' ILE . 25.8 t -62.98 -44.84 99.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 115.349 -0.841 . . . . 103.26 111.035 -170.825 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 3.9 t -74.03 -26.7 60.57 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 119.191 -1.003 . . . . 98.84 111.729 -174.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -82.12 -14.85 55.11 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 119.508 -0.877 . . . . 116.85 111.913 172.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 35.3 mt -74.2 -52.17 13.25 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.618 -0.433 . . . . 92.69 110.638 165.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -56.05 -31.08 62.83 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 120.906 -0.318 . . . . 135.95 111.502 174.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 47.0 m -67.67 -45.57 74.86 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.844 -0.343 . . . . 100.42 111.184 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.416 ' HD3' ' CE1' ' B' ' 42' ' ' TYR . 65.4 mtt-85 -79.05 -36.6 40.73 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.173 -0.329 . . . . 105.58 111.811 -171.909 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' LEU . . . . . 0.57 HD13 ' H ' ' B' ' 59' ' ' THR . 1.8 tm? -98.2 -59.6 1.72 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.947 -0.301 . . . . 101.59 111.237 -170.499 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.9 t 56.17 52.98 9.51 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.525 0.679 . . . . 126.99 112.082 174.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' THR . . . . . 0.57 ' H ' HD13 ' B' ' 57' ' ' LEU . 6.1 t -68.14 -37.76 81.42 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 118.837 -1.145 . . . . 129.72 110.389 168.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 3.3 mmt85 -177.12 159.39 1.63 Allowed 'General case' 0 C--O 1.233 0.217 0 C-N-CA 126.822 2.049 . . . . 130.92 107.062 173.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.1 mp0 -66.42 -10.91 48.54 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 113.324 0.861 . . . . 143.77 113.324 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -125.36 -11.7 6.86 Favored 'General case' 0 C--O 1.236 0.392 0 N-CA-C 113.943 1.09 . . . . 121.92 113.943 -179.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.541 ' HB3' HG23 ' B' ' 59' ' ' THR . . . -77.53 -29.18 52.21 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.818 0.736 . . . . 100.83 111.837 -176.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.19 -44.46 97.5 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 C-N-CA 120.498 -0.481 . . . . 93.94 110.463 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 22.7 m -63.03 -37.9 89.04 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.418 -0.513 . . . . 81.78 111.35 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -64.64 -47.44 78.5 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 120.655 -0.418 . . . . 125.27 110.996 178.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLN . . . . . 0.405 ' HB3' ' HG2' ' B' ' 36' ' ' ARG . 42.5 mt-30 -68.81 -33.42 73.81 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.598 -0.441 . . . . 89.57 111.762 -178.789 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' LEU . . . . . . . . . . . . . 12.4 mt -64.73 -43.81 92.18 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.398 -0.521 . . . . 67.55 111.052 175.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.56 -40.22 93.94 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 120.545 -0.462 . . . . 72.23 111.243 178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -69.55 -38.33 77.4 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.221 -0.591 . . . . 97.65 111.366 -179.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 58.6 mt -64.37 -32.24 73.77 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.158 -0.617 . . . . 77.01 111.455 174.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 41.5 ttp85 -75.79 -41.87 51.71 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.939 -0.304 . . . . 75.83 111.617 179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.538 HD13 ' HG2' ' D' ' 20' ' ' ARG . 62.2 mt -65.39 -25.12 67.42 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.555 -0.458 . . . . 98.51 111.596 178.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -86.48 -3.38 59.0 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 112.583 0.586 . . . . 76.68 112.583 175.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.65 13.37 78.31 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 115.585 0.994 . . . . 63.15 115.585 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 17.6 mt -91.46 -23.62 19.94 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.502 1.151 . . . . 73.2 113.312 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.556 HG12 ' HE1' ' B' ' 40' ' ' MSE . 32.9 m -121.63 161.6 21.85 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 121.931 0.872 . . . . 88.27 108.872 176.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -122.86 158.86 29.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.051 -0.977 . . . . 94.88 109.539 175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -129.31 146.71 51.15 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.261 -0.881 . . . . 112.43 110.194 -174.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 42.0 ptt85 -159.33 158.71 32.85 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 107.949 -1.13 . . . . 138.38 107.949 171.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ptt85 -133.26 141.99 48.3 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.619 -0.719 . . . . 161.44 110.756 -173.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -129.61 85.72 2.34 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 106.519 -1.66 . . . . 144.89 106.519 167.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.59 -109.78 3.1 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 121.098 -0.573 . . . . 147.14 113.211 -179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -92.01 25.15 2.93 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.296 0.638 . . . . 150.27 112.589 179.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 6.8 m -135.13 108.03 7.57 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 109.085 -0.709 . . . . 142.93 109.085 -174.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ILE . . . . . 0.446 ' HB ' HG23 ' B' ' 50' ' ' VAL . 4.4 mt -90.54 118.97 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 107.772 -1.195 . . . . 131.72 107.772 172.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -107.32 119.83 40.46 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.332 -0.618 . . . . 128.33 109.332 -177.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -106.49 143.64 34.32 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.185 0.594 . . . . 97.34 109.971 179.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' SER . . . . . . . . . . . . . 79.9 p -140.52 157.23 45.8 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.401 0.619 . . . . 95.3 109.543 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' LEU . . . . . . . . . . . . . 1.5 tt -76.4 115.47 16.18 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.371 -0.974 . . . . 83.77 108.371 176.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' SER . . . . . . . . . . . . . 9.3 p -97.93 -29.59 13.22 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 114.048 1.129 . . . . 84.36 114.048 -173.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -97.34 116.72 65.97 Favored Pre-proline 0 C--O 1.242 0.663 0 CA-C-N 118.655 0.661 . . . . 82.58 110.111 -173.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' PRO . . . . . 0.484 ' HG3' ' HG2' ' D' ' 78' ' ' GLN . 55.7 Cg_endo -67.58 -26.81 39.61 Favored 'Trans proline' 0 C--O 1.237 0.467 0 CA-C-N 119.242 0.765 . . . . 73.9 113.374 178.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -65.25 -43.89 89.92 Favored 'General case' 0 C--O 1.238 0.455 0 C-N-CA 120.203 -0.599 . . . . 60.8 110.994 176.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.85 -32.52 74.09 Favored 'General case' 0 C--O 1.236 0.352 0 C-N-CA 120.38 -0.528 . . . . 70.19 111.591 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ALA . . . . . . . . . . . . . . . -63.52 -39.53 94.68 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.513 -0.475 . . . . 54.93 111.229 178.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ARG . . . . . . . . . . . . . 91.4 mtm-85 -72.55 -33.38 66.78 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.205 -0.598 . . . . 54.02 111.648 179.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.41 -45.19 93.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.113 0.482 . . . . 53.95 110.198 174.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' VAL . . . . . 0.413 HG21 ' HB3' ' B' ' 40' ' ' MSE . 44.0 t -61.74 -43.29 97.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.964 0.412 . . . . 56.84 110.331 179.027 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -61.83 -34.29 75.68 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.407 -0.517 . . . . 108.81 111.628 177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m -72.19 -47.84 47.67 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.296 -0.562 . . . . 49.02 111.296 -178.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.38 -40.48 42.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 119.812 -0.755 . . . . 66.32 110.993 -177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -89.02 77.02 7.73 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.132 -1.803 . . . . 109.03 106.132 167.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -37.48 -41.8 0.47 Allowed 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.291 -0.868 . . . . 99.43 111.255 -173.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -148.02 -1.37 0.57 Allowed 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 114.02 1.119 . . . . 130.92 114.02 -161.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -88.32 -40.49 13.56 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.668 0.618 . . . . 88.62 112.668 -154.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' CYS . . . . . . . . . . . . . 2.3 m -85.36 -55.22 4.12 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 120.122 -0.631 . . . . 97.22 111.513 -176.1 -33.477 -79.425 -113.992 104.946 2.034 103.727 52.172 -173.346 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.33 . . . . 108.11 110.236 179.71 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.467 0.175 . . . . 114.66 110.565 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . 72.01 -7.94 1.22 Allowed 'General case' 0 C--O 1.235 0.293 0 C-N-CA 125.271 1.428 . . . . 104.57 111.47 177.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 -128.71 -28.65 2.45 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 107.075 -1.454 . . . . 148.52 107.075 165.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLU . . . . . 0.548 ' OE2' ' NH1' ' C' ' 20' ' ' ARG . 31.7 tp10 -64.85 -43.39 93.19 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.702 -0.681 . . . . 130.15 110.572 165.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' MSE . . . . . . . . . . . . . 7.1 ttm -67.69 -37.45 82.33 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.216 -0.303 . . . . 101.06 111.552 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.23 -37.02 85.98 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.272 -0.571 . . . . 69.09 111.338 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 2.9 p -72.11 -40.27 68.28 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.418 -0.513 . . . . 88.43 111.208 177.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ARG . . . . . 0.548 ' NH1' ' OE2' ' C' ' 16' ' ' GLU . 9.4 mtp85 -66.05 -37.12 85.06 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.262 -0.575 . . . . 83.63 111.143 176.254 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.27 -37.18 80.44 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.361 -0.536 . . . . 50.58 111.581 -176.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -73.13 -37.49 66.63 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.583 -0.847 . . . . 108.62 111.172 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.95 -42.8 84.63 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 119.987 -0.685 . . . . 59.32 111.033 175.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.52 -37.9 83.46 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 120.424 -0.51 . . . . 58.24 111.334 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' SER . . . . . . . . . . . . . 2.2 t -66.24 -42.58 88.39 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.331 -0.548 . . . . 55.74 110.955 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -60.49 -36.37 78.17 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.545 -0.462 . . . . 68.26 110.876 174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.6 tp -68.8 -42.97 76.61 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.371 -0.532 . . . . 50.19 111.228 178.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 14.8 mt -73.96 -33.65 63.96 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.027 -0.669 . . . . 51.85 111.597 -177.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LYS . . . . . 0.601 ' HG2' ' HB1' ' D' ' 32' ' ' ALA . 3.3 mtmm -60.45 -35.42 75.82 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.064 -0.654 . . . . 73.29 111.579 175.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.86 -24.77 60.91 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.276 -0.569 . . . . 58.41 111.649 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 94.7 mt -99.21 -15.72 18.81 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 113.661 0.985 . . . . 60.13 113.661 -179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.61 61.35 2.32 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 122.605 1.193 . . . . 70.58 110.415 179.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -150.7 116.75 5.6 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 107.314 -1.365 . . . . 71.33 107.314 -178.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -59.15 -38.74 80.44 Favored 'General case' 0 C--O 1.238 0.458 0 O-C-N 123.449 0.468 . . . . 97.77 111.288 -177.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.566 ' O ' ' O ' ' C' ' 301' ' ' HOH . . . -67.25 -26.75 73.43 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 120.429 -0.891 . . . . 89.47 113.474 178.192 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ARG . . . . . 0.406 ' HG2' ' HB3' ' C' ' 67' ' ' GLN . 82.0 mtm-85 -92.58 -24.27 18.77 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 113.131 0.789 . . . . 70.13 113.131 177.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.04 -38.77 72.56 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 118.267 0.485 . . . . 64.18 111.608 -176.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' MSE . . . . . 0.663 ' HB3' ' HE3' ' D' ' 17' ' ' MSE . 46.9 mtm -69.12 -36.03 77.06 Favored 'General case' 0 C--N 1.33 -0.267 0 O-C-N 122.045 -0.41 . . . . 110.7 110.738 -179.545 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 54.9 mt -58.6 -47.48 88.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-N 115.569 -0.742 . . . . 53.48 110.175 175.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' MSE . . . . . . . . . . . . . 79.3 mmm -60.26 -38.86 84.8 Favored 'General case' 0 C--O 1.234 0.239 0 C-N-CA 122.636 0.375 . . . . 78.3 111.343 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' CYS . . . . . . . . . . . . . 42.2 t -65.34 -43.57 90.5 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.727 -0.67 . . . . 71.23 111.14 177.598 -176.095 63.738 -111.713 104.764 2.038 104.029 -83.697 -41.328 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' TYR . . . . . 0.55 ' CE2' ' HE1' ' D' ' 17' ' ' MSE . 0.9 OUTLIER -62.86 -44.41 96.19 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.811 -0.356 . . . . 77.77 110.825 176.059 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -67.85 -26.6 66.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.529 -0.468 . . . . 64.48 111.413 177.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.07 -31.42 72.29 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.053 -0.659 . . . . 63.77 111.241 174.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' SER . . . . . . . . . . . . . 40.3 t -72.86 -24.31 60.86 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 112.225 0.454 . . . . 68.76 112.225 174.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.87 163.53 13.63 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-O 122.102 0.835 . . . . 56.39 111.306 178.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -57.24 140.52 49.55 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.772 -0.714 . . . . 61.77 110.333 177.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' LYS . . . . . . . . . . . . . 10.6 mttp -142.41 146.92 35.38 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 109.455 -0.572 . . . . 65.27 109.455 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' SER . . . . . . . . . . . . . 58.8 p -85.33 173.31 10.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.804 0.811 . . . . 65.62 110.218 177.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.13 -48.19 88.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-N 115.399 -0.818 . . . . 67.46 110.348 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 19.4 p -68.04 -33.19 74.1 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.362 -0.535 . . . . 90.72 111.778 -178.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' GLU . . . . . 0.434 ' O ' ' NH2' ' C' ' 56' ' ' ARG . 50.5 mt-10 -65.36 -32.78 74.59 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.006 -0.678 . . . . 73.94 111.552 175.609 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' LEU . . . . . . . . . . . . . 65.8 mt -79.31 -36.81 39.03 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.647 -0.421 . . . . 66.89 111.378 176.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -66.3 -25.35 66.81 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.495 -0.482 . . . . 92.6 111.543 176.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 2.4 m -71.95 -38.79 69.75 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.157 -0.617 . . . . 81.73 110.949 175.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' ARG . . . . . 0.434 ' NH2' ' O ' ' C' ' 52' ' ' GLU . 62.3 mtt85 -83.74 -22.24 32.02 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 113.216 0.821 . . . . 81.15 113.216 -177.499 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' LEU . . . . . . . . . . . . . 33.1 mt -119.3 133.45 55.73 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 118.382 0.537 . . . . 90.53 109.758 -178.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' SER . . . . . . . . . . . . . 13.3 m -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.918 0.866 . . . . 106.6 110.404 179.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' THR . . . . . . . . . . . . . 8.3 p -64.19 -36.9 85.56 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-N 115.255 -0.884 . . . . 163.47 111.631 -175.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.75 -41.18 92.46 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.378 -0.529 . . . . 178.6 111.686 -174.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -97.82 0.71 47.27 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.382 0.882 . . . . 162.21 113.382 -175.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -162.0 118.05 2.03 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 118.61 0.641 . . . . 127.22 109.697 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.26 83.62 6.47 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 106.259 -1.756 . . . . 89.67 106.259 162.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -59.61 -49.38 83.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 114.613 -1.176 . . . . 63.59 111.036 -160.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' SER . . . . . . . . . . . . . 8.4 t -63.38 -39.59 94.93 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.201 -0.6 . . . . 72.79 111.643 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -71.37 -44.84 64.23 Favored 'General case' 0 C--O 1.237 0.441 0 C-N-CA 119.956 -0.698 . . . . 102.77 111.406 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' GLN . . . . . 0.406 ' HB3' ' HG2' ' C' ' 36' ' ' ARG . 53.0 mm-40 -67.64 -29.99 69.44 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.246 -0.582 . . . . 94.1 111.619 -178.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.75 -45.0 79.97 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.239 -0.585 . . . . 56.01 110.833 174.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.86 76.53 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 120.371 -0.532 . . . . 58.66 111.401 176.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 tpt180 -66.42 -44.2 83.58 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.529 -0.468 . . . . 86.1 111.156 176.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' LEU . . . . . . . . . . . . . 33.8 mt -65.24 -33.38 75.87 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.525 -0.47 . . . . 54.08 111.607 177.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' ARG . . . . . . . . . . . . . 66.4 ttp85 -72.46 -41.69 65.81 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.219 -0.592 . . . . 50.59 111.268 -179.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 66.9 mt -70.72 -19.06 62.78 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.388 -0.525 . . . . 59.12 112.045 179.729 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' C' ' 302' ' ' HOH . 24.8 mm-40 -85.46 2.4 44.72 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.547 0.573 . . . . 89.16 112.547 171.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.2 9.95 84.21 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 114.959 0.744 . . . . 50.43 114.959 -178.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.06 -7.77 44.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 118.202 1.001 . . . . 62.44 113.428 -174.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 77' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' C' ' 90' ' ' LEU . 35.1 m -147.98 161.13 7.12 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 107.858 -1.164 . . . . 54.84 107.858 171.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 78' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -129.44 162.06 28.96 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.207 -0.664 . . . . 75.58 109.207 175.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 79' ' ' SER . . . . . . . . . . . . . 80.5 p -131.99 157.22 44.64 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 122.009 0.909 . . . . 52.96 111.495 -170.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 80' ' ' ARG . . . . . . . . . . . . . 51.5 ptt85 -153.56 158.34 41.08 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.892 -1.521 . . . . 56.11 106.892 171.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 81' ' ' ARG . . . . . 0.552 ' NH2' ' O3 ' ' C' ' 202' ' ' SO4 . 1.2 ptm180 -137.55 148.71 46.16 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 119.817 -0.753 . . . . 62.27 111.103 -175.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 82' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -116.25 93.65 4.32 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 105.194 -2.15 . . . . 80.2 105.194 169.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.23 -110.19 3.05 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.599 -0.81 . . . . 58.11 111.378 -172.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -106.22 -6.16 18.7 Favored 'General case' 0 C--O 1.237 0.412 0 N-CA-C 113.353 0.871 . . . . 87.1 113.353 177.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 85.8 m -83.63 114.81 21.81 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 108.911 -0.774 . . . . 65.56 108.911 177.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 86' ' ' ILE . . . . . . . . . . . . . 4.8 mt -104.15 122.05 56.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 N-CA-C 108.776 -0.824 . . . . 59.24 108.776 -175.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 87' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -101.31 139.94 36.29 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 123.121 0.568 . . . . 65.11 110.283 178.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 88' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -120.96 148.01 44.67 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 123.134 0.574 . . . . 47.64 110.197 -179.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 89' ' ' SER . . . . . . . . . . . . . 1.8 p -148.49 170.47 17.97 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 109.191 -0.67 . . . . 51.2 109.191 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 90' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' C' ' 77' ' ' VAL . 5.8 mt -59.64 -65.38 0.68 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.358 -0.837 . . . . 94.42 112.407 -163.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 91' ' ' SER . . . . . 0.555 ' O ' ' OG ' ' C' ' 91' ' ' SER . 0.9 OUTLIER 66.24 11.95 8.24 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 114.908 1.447 . . . . 66.29 114.908 173.95 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -151.53 109.37 2.95 Favored Pre-proline 0 C--O 1.238 0.465 0 CA-C-N 119.489 1.041 . . . . 79.96 110.778 174.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 93' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.54 -26.68 46.72 Favored 'Trans proline' 0 C--O 1.237 0.459 0 N-CA-C 113.811 0.658 . . . . 57.96 113.811 -175.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 94' ' ' ARG . . . . . . . . . . . . . 29.2 mtm180 -63.67 -52.12 62.07 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.829 0.74 . . . . 54.0 110.864 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.38 78.94 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.564 -0.455 . . . . 56.34 111.275 -179.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.09 -38.65 91.83 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.386 -0.526 . . . . 58.69 111.212 179.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 97' ' ' ARG . . . . . . . . . . . . . 85.8 mtm-85 -71.86 -36.01 69.98 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.351 -0.54 . . . . 83.67 111.313 -179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.19 -46.51 93.26 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.407 -0.517 . . . . 53.29 110.106 175.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 99' ' ' VAL . . . . . . . . . . . . . 37.1 t -59.81 -44.16 93.41 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 120.978 0.418 . . . . 63.11 110.509 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 100' ' ' GLN . . . . . . . . . . . . . 2.3 tp60 -62.57 -32.36 73.32 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 121.978 -0.452 . . . . 107.01 111.816 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 14.0 m -74.88 -48.81 22.94 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.717 -0.393 . . . . 66.13 111.673 -175.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' VAL . . . . . . . . . . . . . 19.3 m -76.19 -21.24 15.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 N-CA-C 112.633 0.605 . . . . 78.95 112.633 -177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -92.35 -13.9 29.53 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.784 0.661 . . . . 74.85 112.784 179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 54.37 57.33 5.94 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 122.028 0.918 . . . . 97.52 111.037 -179.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 55.56 21.44 4.45 Favored 'General case' 0 C--O 1.241 0.655 0 CA-C-N 114.77 -1.104 . . . . 126.78 113.197 176.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -64.46 -32.63 74.33 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.486 -0.486 . . . . 85.27 111.395 172.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' CYS . . . . . . . . . . . . . 4.5 m -84.52 -16.57 41.88 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 112.845 0.683 . . . . 97.17 112.845 -178.133 -41.328 -83.697 -111.713 104.029 2.038 104.764 63.738 -176.095 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 118.375 0.534 . . . . 93.05 110.139 -179.074 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 109.18 111.026 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.87 160.7 30.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.892 0.853 . . . . 103.28 110.964 -176.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 57.9 mt -69.53 141.48 53.85 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.255 -0.884 . . . . 96.15 110.224 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -62.39 115.48 4.24 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.033 -0.531 . . . . 89.64 109.631 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.71 65.23 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.33 0.493 . . . . 82.3 112.33 -172.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -90.68 -28.29 18.45 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.594 0.961 . . . . 125.12 113.594 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' GLU . . . . . 0.532 ' OE2' ' NH1' ' D' ' 20' ' ' ARG . 1.1 tt0 -78.63 -25.49 45.06 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.07 -1.052 . . . . 87.81 111.395 175.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' MSE . . . . . 0.663 ' HE3' ' HB3' ' C' ' 38' ' ' MSE . 46.4 ttp -65.57 -42.74 91.43 Favored 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 109.117 -0.697 . . . . 114.92 109.117 172.273 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.63 -33.18 72.41 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 115.724 -0.671 . . . . 72.69 111.511 176.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 21.8 m -72.77 -46.16 54.8 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.535 -0.466 . . . . 81.54 110.811 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ARG . . . . . 0.538 ' HG2' HD13 ' B' ' 73' ' ' LEU . 2.8 mtp85 -63.11 -34.66 78.08 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.605 -0.438 . . . . 87.87 111.464 176.996 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.89 -39.32 72.86 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.453 -0.499 . . . . 63.97 111.556 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 29.5 ttm-85 -65.87 -40.9 92.08 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.656 -0.818 . . . . 102.74 110.978 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -43.66 90.03 Favored 'General case' 0 C--O 1.237 0.436 0 C-N-CA 120.164 -0.615 . . . . 70.54 110.985 175.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -37.52 84.41 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.552 -0.459 . . . . 55.53 111.276 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' SER . . . . . . . . . . . . . 42.5 t -63.6 -42.76 98.21 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.25 -0.58 . . . . 67.25 111.17 177.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ASN . . . . . 0.7 ' OD1' ' O ' ' D' ' 302' ' ' HOH . 93.4 m-20 -64.94 -34.55 78.68 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.098 -0.641 . . . . 57.48 111.36 177.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' LEU . . . . . 0.442 HD11 ' HB2' ' D' ' 95' ' ' ALA . 49.2 tp -67.81 -42.51 81.42 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.322 -0.551 . . . . 63.4 111.21 178.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.53 -36.4 73.7 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.159 -0.617 . . . . 57.93 111.267 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -59.0 -39.39 81.7 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.37 -0.532 . . . . 67.61 110.965 176.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.46 -26.77 65.66 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.389 -0.524 . . . . 50.24 111.626 178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 80.8 mt -99.09 -14.19 19.51 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 113.522 0.934 . . . . 54.66 113.522 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' ALA . . . . . 0.601 ' HB1' ' HG2' ' C' ' 29' ' ' LYS . . . -78.75 60.85 2.88 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 122.467 1.127 . . . . 64.18 111.009 -174.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' HIS . . . . . . . . . . . . . 59.4 t-80 -149.47 130.12 14.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 114.774 -1.103 . . . . 58.47 108.121 179.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -61.07 -44.82 96.8 Favored 'General case' 0 C--O 1.238 0.459 0 C-N-CA 120.36 -0.536 . . . . 73.26 111.965 -174.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.85 -41.07 99.93 Favored Glycine 0 C--N 1.335 0.478 0 C-N-CA 120.016 -1.087 . . . . 57.68 112.916 -179.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' D' ' 40' ' ' MSE . 9.9 mtt180 -69.07 -38.15 78.87 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 122.133 -0.627 . . . . 95.01 111.662 -176.49 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 13.0 mt -64.07 -35.62 81.34 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.421 -0.511 . . . . 54.68 111.502 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' MSE . . . . . . . . . . . . . 28.2 mtm -64.91 -37.51 87.88 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.034 -0.416 . . . . 84.81 110.704 177.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 59.8 mt -61.14 -48.15 90.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-N 116.041 -0.527 . . . . 67.94 110.289 175.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' MSE . . . . . 0.443 ' HG2' ' O ' ' D' ' 36' ' ' ARG . 26.6 mmm -63.47 -32.14 73.49 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 121.952 -0.467 . . . . 95.02 112.205 179.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' CYS . . . . . . . . . . . . . 49.0 t -65.84 -42.94 89.89 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.628 -0.829 . . . . 78.49 111.118 177.248 -174.124 60.811 -105.361 104.554 2.04 105.605 -89.756 -39.004 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' TYR . . . . . 0.416 ' CE1' ' HD3' ' D' ' 56' ' ' ARG . 4.0 m-85 -67.88 -39.26 83.71 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.089 -0.645 . . . . 74.65 111.175 176.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 63.9 mt -72.24 -16.61 61.93 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 112.423 0.527 . . . . 70.59 112.423 178.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.12 -29.87 66.92 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.337 -0.545 . . . . 74.71 111.656 177.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' SER . . . . . . . . . . . . . 1.5 m -72.29 -29.69 64.11 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.332 -0.547 . . . . 97.89 111.369 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.54 169.63 24.06 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 110.322 -1.111 . . . . 105.19 110.322 -177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -61.89 143.98 55.62 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 114.788 -0.706 . . . . 98.27 110.224 -179.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' LYS . . . . . . . . . . . . . 6.2 mmtp -133.56 162.27 32.37 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.639 0.733 . . . . 90.56 109.36 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' SER . . . . . 0.668 ' OG ' ' N ' ' D' ' 52' ' ' GLU . 1.3 p -65.26 -176.26 0.29 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 122.079 0.943 . . . . 100.5 110.245 173.173 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -88.18 -33.62 6.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.487 -0.779 . . . . 91.92 110.548 156.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' THR . . . . . 0.498 ' N ' ' OG ' ' D' ' 49' ' ' SER . 32.0 p -75.87 -50.36 15.29 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 122.162 -0.336 . . . . 102.85 111.678 -176.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' GLU . . . . . 0.668 ' N ' ' OG ' ' D' ' 49' ' ' SER . 9.0 pt-20 -66.77 -10.34 46.35 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.337 -0.945 . . . . 118.99 112.038 176.144 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' LEU . . . . . . . . . . . . . 12.8 mt -79.12 -47.9 15.27 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 117.978 0.353 . . . . 84.8 110.945 166.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' GLU . . . . . 0.469 ' HG2' ' HA ' ' D' ' 51' ' ' THR . 16.1 pt-20 -73.86 -17.65 61.03 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.173 -0.611 . . . . 106.43 112.459 -178.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' THR . . . . . 0.406 HG23 ' O ' ' D' ' 51' ' ' THR . 69.1 p -79.16 -41.92 27.34 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.691 -0.803 . . . . 107.32 111.329 171.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' ARG . . . . . 0.416 ' HD3' ' CE1' ' D' ' 42' ' ' TYR . 1.5 ttt180 -75.38 -17.21 60.27 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.704 0.631 . . . . 102.51 112.704 179.647 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -97.15 -49.11 5.1 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 112.561 0.578 . . . . 96.33 112.561 178.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 58' ' ' SER . . . . . . . . . . . . . 57.9 m 61.4 20.24 10.96 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 124.472 1.109 . . . . 137.3 112.881 174.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 59' ' ' THR . . . . . . . . . . . . . 1.2 t -70.71 -50.03 40.68 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 119.957 -0.697 . . . . 131.07 110.959 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 60' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -175.81 152.91 1.31 Allowed 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.1 -1.074 . . . . 142.63 108.1 171.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 61' ' ' GLN . . . . . . . . . . . . . 7.6 mp0 -78.31 6.4 8.36 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 113.226 0.824 . . . . 136.59 113.226 -176.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 62' ' ' ALA . . . . . . . . . . . . . . . -128.15 -27.91 2.67 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 118.448 0.567 . . . . 116.32 110.177 177.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.41 -38.62 74.67 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.504 -0.479 . . . . 100.53 111.268 -179.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 64' ' ' VAL . . . . . . . . . . . . . 24.9 t -59.47 -48.17 88.17 Favored 'Isoleucine or valine' 0 C--O 1.237 0.428 0 CA-C-O 121.179 0.514 . . . . 74.91 110.512 -179.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.72 -34.41 77.79 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.257 -0.577 . . . . 80.57 111.884 -175.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -71.48 -40.0 70.54 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 119.481 -0.888 . . . . 112.59 110.927 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 67' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -68.63 -29.15 67.59 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.739 -0.384 . . . . 63.45 111.034 174.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 68' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.22 -42.0 80.43 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.507 -0.477 . . . . 73.09 110.931 175.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 69' ' ' ALA . . . . . 0.443 ' O ' ' HG ' ' D' ' 73' ' ' LEU . . . -62.74 -45.55 92.18 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.754 -0.378 . . . . 60.64 111.022 178.419 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 70' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -63.4 -37.99 89.43 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.089 -0.645 . . . . 96.56 111.062 -179.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 71' ' ' LEU . . . . . . . . . . . . . 44.8 mt -65.1 -33.62 76.45 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.079 -0.648 . . . . 59.73 111.277 174.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 72' ' ' ARG . . . . . . . . . . . . . 50.5 ttp85 -73.41 -42.68 61.78 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.601 -0.439 . . . . 73.6 111.259 178.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 73' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' D' ' 69' ' ' ALA . 17.9 mt -64.09 -26.53 68.59 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.38 -0.528 . . . . 75.02 111.885 179.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 74' ' ' GLU . . . . . 0.761 ' OE1' ' O ' ' D' ' 301' ' ' HOH . 56.5 mm-40 -86.57 0.78 53.7 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.806 0.669 . . . . 76.99 112.806 176.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.77 12.6 81.21 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 115.369 0.907 . . . . 56.3 115.369 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 76' ' ' LEU . . . . . . . . . . . . . 24.2 mt -90.67 -22.79 20.99 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.398 1.099 . . . . 59.92 113.41 -175.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 77' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.31 156.1 42.14 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 121.729 0.776 . . . . 64.04 109.21 176.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 78' ' ' GLN . . . . . 0.551 ' HG3' ' HB2' ' D' ' 91' ' ' SER . 27.5 mt-30 -122.41 168.07 12.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.089 -0.959 . . . . 102.66 109.85 178.45 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 79' ' ' SER . . . . . 0.545 ' HB3' HD11 ' D' ' 86' ' ' ILE . 2.6 m -126.55 141.79 51.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.406 -0.815 . . . . 92.24 110.215 -179.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 80' ' ' ARG . . . . . 0.408 ' O ' HD12 ' D' ' 86' ' ' ILE . 24.0 ptt85 -142.3 157.73 44.5 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 108.404 -0.961 . . . . 116.91 108.404 172.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 81' ' ' ARG . . . . . . . . . . . . . 5.2 ttp-105 -120.65 141.0 50.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 126.47 110.702 -168.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 82' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -129.73 47.65 2.47 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 124.153 0.981 . . . . 132.23 109.933 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.55 -107.46 3.3 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.581 -0.607 . . . . 125.89 111.581 -177.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 84' ' ' LYS . . . . . . . . . . . . . 8.3 mtpp -106.09 26.27 9.94 Favored 'General case' 0 C--N 1.33 -0.278 0 O-C-N 122.494 -0.415 . . . . 122.53 111.506 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 85' ' ' THR . . . . . . . . . . . . . 4.1 m -116.53 136.72 52.75 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 109.063 -0.717 . . . . 117.03 109.063 171.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 86' ' ' ILE . . . . . 0.545 HD11 ' HB3' ' D' ' 79' ' ' SER . 9.6 tp -111.77 123.17 67.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 107.584 -1.265 . . . . 110.51 107.584 173.76 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 87' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -109.74 123.53 49.68 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.796 -0.816 . . . . 116.31 108.796 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 88' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -97.49 141.95 29.93 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.459 -0.571 . . . . 81.87 109.459 177.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 89' ' ' SER . . . . . . . . . . . . . 5.9 m -132.91 154.75 50.11 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.482 0.658 . . . . 84.28 109.74 -175.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 90' ' ' LEU . . . . . . . . . . . . . 3.6 mt -69.7 121.08 16.47 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.171 -0.922 . . . . 88.18 109.668 171.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 91' ' ' SER . . . . . 0.551 ' HB2' ' HG3' ' D' ' 78' ' ' GLN . 1.3 t -104.25 -46.06 4.52 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.136 0.791 . . . . 75.71 113.136 -171.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 92' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -90.54 119.57 69.06 Favored Pre-proline 0 C--O 1.238 0.486 0 N-CA-C 109.649 -0.5 . . . . 89.03 109.649 -173.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 93' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -66.93 -27.71 42.87 Favored 'Trans proline' 0 C--O 1.239 0.532 0 CA-C-N 119.225 0.759 . . . . 75.93 113.294 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 94' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -62.91 -48.59 78.28 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 118.476 0.58 . . . . 65.66 110.856 177.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 95' ' ' ALA . . . . . 0.442 ' HB2' HD11 ' D' ' 27' ' ' LEU . . . -65.17 -31.71 73.03 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.5 -0.48 . . . . 58.26 111.503 178.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.83 85.64 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.479 -0.488 . . . . 61.0 111.183 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 97' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -73.43 -35.99 65.88 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 120.122 -0.631 . . . . 72.93 111.233 178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 98' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.8 -45.49 98.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.198 0.523 . . . . 62.85 110.17 176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 99' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.28 -45.28 96.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-O 121.173 0.511 . . . . 62.66 110.323 177.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -60.77 -34.53 74.61 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 122.0 -0.438 . . . . 107.22 111.717 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' THR . . . . . . . . . . . . . 82.5 m -74.03 -46.19 44.99 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.594 -0.442 . . . . 61.95 111.312 -176.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.78 -22.92 16.21 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 112.534 0.568 . . . . 73.53 112.534 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -96.12 -22.24 17.44 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 113.515 0.932 . . . . 73.52 113.515 -178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 56.38 66.98 1.06 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.91 0.862 . . . . 106.77 111.592 171.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 70.35 3.43 4.45 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 124.725 1.21 . . . . 129.6 112.711 173.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -73.75 -37.47 65.04 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-N 118.89 0.768 . . . . 94.73 111.442 -175.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 107' ' ' CYS . . . . . . . . . . . . . 3.7 m -89.97 -19.31 24.64 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 112.876 0.695 . . . . 92.67 112.876 175.819 -39.004 -89.756 -105.361 105.605 2.04 104.554 60.811 -174.124 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 108' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 118.103 0.411 . . . . 109.43 110.874 177.316 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' SO4 . . . . . 0.494 ' O1 ' ' N ' ' A' ' 79' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' SO4 . . . . . 0.552 ' O3 ' ' NH2' ' C' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.765 ' O ' ' OE2' ' A' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . 0.733 ' O ' ' O ' ' A' ' 62' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . 0.54 ' O ' ' O ' ' B' ' 7' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . 0.415 ' O ' ' OG1' ' B' ' 19' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 301' ' ' HOH . . . . . 0.566 ' O ' ' O ' ' C' ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 302' ' ' HOH . . . . . 0.404 ' O ' ' OE1' ' C' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 301' ' ' HOH . . . . . 0.761 ' O ' ' OE1' ' D' ' 74' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 302' ' ' HOH . . . . . 0.7 ' O ' ' OD1' ' D' ' 26' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_