data_6cfe_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 6cfe _Structure_validation_residue.Date_analyzed 2019-02-01 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 ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.333 0 N-CA-C 113.461 0.144 . . . . 102.97 113.461 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -65.2 161.89 18.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 122.022 0.915 . . . . 92.43 110.707 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -57.14 -42.45 81.02 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.291 -0.868 . . . . 125.24 111.502 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -66.16 -31.31 72.07 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.141 -1.024 . . . . 78.45 110.744 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' OE2' ' NE2' ' A' ' 152' ' ' GLN . 67.0 mt-10 -69.15 -39.04 79.04 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 121.207 -0.197 . . . . 92.89 111.085 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.88 -41.39 97.75 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.736 -0.386 . . . . 77.57 111.17 173.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.86 95.06 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.216 -0.593 . . . . 53.74 110.633 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.32 -33.71 76.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.281 -0.568 . . . . 82.01 110.814 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -40.55 98.99 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.669 -0.777 . . . . 48.41 113.218 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -66.18 -35.95 81.81 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.581 -0.848 . . . . 135.35 111.226 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.68 -47.57 85.12 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.318 -0.553 . . . . 73.8 110.62 173.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -57.76 -49.76 75.5 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 111.739 0.274 . . . . 109.79 111.739 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -55.61 -42.44 74.89 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.212 -0.595 . . . . 47.14 110.978 -176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . 0.446 ' HH ' ' HA ' ' A' ' 52' ' ' VAL . 43.7 t80 -74.28 -44.16 53.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.086 -0.646 . . . . 76.64 110.755 -178.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.5 -43.56 71.93 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.194 -0.602 . . . . 72.59 111.17 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -59.29 -45.12 92.12 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.684 -0.406 . . . . 94.68 111.444 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -60.99 -46.3 91.34 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.1 -0.64 . . . . 89.78 110.897 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -54.52 -41.16 53.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 120.518 -0.473 . . . . 64.76 110.541 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 141' ' ' ARG . 2.8 tt0 -67.05 -18.67 65.45 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.495 -0.882 . . . . 100.04 112.604 -175.528 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 p -61.5 -27.97 68.97 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.858 -1.137 . . . . 54.84 110.671 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt 53.87 36.3 23.82 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 121.898 0.856 . . . . 74.73 111.178 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.7 p -60.66 172.32 0.94 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.93 0.871 . . . . 53.6 109.938 171.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.84 -28.73 67.81 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.105 -1.038 . . . . 94.31 110.958 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -65.89 -42.69 89.93 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.669 -0.812 . . . . 101.22 110.764 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.03 -48.75 86.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.254 0.549 . . . . 50.4 110.064 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -56.5 -38.15 71.37 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.584 -0.846 . . . . 73.9 110.862 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.9 -53.44 57.84 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.274 -0.571 . . . . 89.69 111.171 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.6 -18.92 60.49 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.563 -0.455 . . . . 96.52 112.172 -176.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 tt -73.48 -50.12 23.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.516 -0.473 . . . . 83.71 110.626 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -68.1 -19.72 64.87 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.399 0.518 . . . . 102.11 112.399 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.3 p -89.12 7.13 36.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.537 0.608 . . . . 73.85 112.55 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 p 67.37 6.13 4.69 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.845 1.258 . . . . 114.57 113.001 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.71 -38.71 91.91 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.082 -0.647 . . . . 135.13 111.167 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' HA ' ' HH ' ' A' ' 32' ' ' TYR . 54.7 t -65.36 -48.59 82.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.39 -0.524 . . . . 78.89 110.331 -177.012 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.12 -30.9 71.48 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.445 -0.902 . . . . 92.66 111.3 -178.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -66.75 -50.08 63.9 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.158 -0.617 . . . . 99.04 110.586 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.5 -42.89 91.6 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.301 -0.559 . . . . 93.93 111.024 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.17 -35.77 81.88 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.554 -0.858 . . . . 100.71 111.151 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.44 -48.32 80.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.569 -0.852 . . . . 96.7 110.582 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -58.98 -47.31 85.61 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.536 -0.466 . . . . 104.44 110.879 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.43 -40.38 82.37 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.55 -0.46 . . . . 77.28 111.181 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.6 ttp -62.62 -48.41 79.52 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.969 -0.292 . . . . 103.77 111.13 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.3 -48.01 83.24 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.027 -0.669 . . . . 157.41 110.881 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -60.14 -36.0 76.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.016 -0.674 . . . . 145.68 111.052 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 m -61.24 -50.02 74.75 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.817 -0.753 . . . . 62.44 110.74 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.76 -37.56 84.87 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.249 -0.58 . . . . 66.4 111.505 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.29 -52.53 64.32 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.205 -0.598 . . . . 101.14 110.777 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.28 -39.47 72.71 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.963 -0.695 . . . . 98.13 110.651 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.2 tp -64.37 -47.83 77.78 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.65 -0.42 . . . . 81.71 110.833 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -55.39 -54.87 38.32 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.124 0.488 . . . . 113.52 110.961 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.22 79.8 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.25 -0.58 . . . . 74.14 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.97 -34.13 77.09 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.722 -0.791 . . . . 98.25 111.375 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -60.42 -51.41 69.6 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.925 -0.71 . . . . 130.85 110.563 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 t -55.15 -35.82 65.13 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.741 -0.383 . . . . 107.38 111.157 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -59.52 -56.92 15.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.971 0.415 . . . . 102.08 111.099 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.33 -34.97 76.14 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.198 -0.601 . . . . 106.16 111.608 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.76 -33.6 76.03 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.212 -0.595 . . . . 104.69 111.994 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -77.44 -34.76 54.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.664 -0.814 . . . . 127.44 111.615 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -83.86 1.43 43.26 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.957 0.725 . . . . 131.52 112.957 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.6 tp -74.17 126.41 30.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.473 0.579 . . . . 101.26 110.188 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -52.72 129.11 45.71 Favored Pre-proline 0 C--O 1.238 0.489 0 N-CA-C 108.97 -0.752 . . . . 129.63 108.97 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 146.57 56.8 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 CA-C-N 118.861 0.629 . . . . 84.13 111.712 -174.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.9 165.14 9.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 107.665 -1.235 . . . . 110.01 107.665 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.84 139.01 4.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.415 -0.811 . . . . 109.12 110.566 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.59 -34.05 73.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.693 -0.685 . . . . 108.2 111.827 -174.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.03 -50.33 74.13 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.551 -0.459 . . . . 111.65 111.097 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.8 p -63.35 -36.3 83.24 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.035 -0.666 . . . . 100.98 111.239 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -62.07 -43.31 99.11 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.658 -0.417 . . . . 125.92 110.841 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.66 63.79 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.746 -0.382 . . . . 93.34 111.737 -178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -70.12 -53.45 17.26 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.65 -0.42 . . . . 122.44 110.886 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.99 -36.41 70.34 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.755 -0.778 . . . . 97.56 110.667 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -61.6 -47.79 83.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.692 . . . . 90.22 110.452 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -69.01 -33.98 74.54 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.447 -0.501 . . . . 154.32 111.859 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -62.82 -36.11 82.12 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.16 -0.616 . . . . 97.05 111.1 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -78.43 -33.85 48.3 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.169 0.433 . . . . 96.75 112.169 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.19 -32.99 73.7 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.536 -0.866 . . . . 157.21 111.426 172.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.38 39.43 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.334 -0.546 . . . . 112.34 110.623 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.97 91.37 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.406 -0.518 . . . . 66.21 110.736 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -59.45 -44.26 92.99 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.713 -0.395 . . . . 102.87 110.638 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.76 -35.43 78.7 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.89 -0.324 . . . . 75.41 111.423 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' NH2' ' OD2' ' A' ' 150' ' ' ASP . 4.1 mtp180 -59.51 -48.91 79.82 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.531 -0.468 . . . . 133.97 110.72 178.823 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.79 -47.61 84.13 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.979 0.419 . . . . 87.17 110.822 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.04 -43.92 93.1 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.095 -1.05 . . . . 64.63 112.36 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.19 92.72 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 122.174 -0.603 . . . . 59.02 111.049 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.03 -50.66 70.29 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.262 -0.575 . . . . 91.44 110.791 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 78.5 mtm -65.09 -44.24 89.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.127 -0.629 . . . . 54.59 111.174 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -57.97 -40.44 80.61 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.522 -0.471 . . . . 100.24 111.118 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.54 -0.464 . . . . 77.86 111.183 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.17 -56.22 17.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.159 0.504 . . . . 49.58 110.155 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 68.1 m -53.38 -43.91 68.21 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.382 -0.527 . . . . 57.79 110.902 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.88 49.07 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.396 -0.906 . . . . 79.22 112.867 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -62.7 -27.09 69.01 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.537 -0.865 . . . . 168.73 111.108 -175.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.8 mt -75.08 -38.72 61.19 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.304 -0.558 . . . . 66.63 111.236 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.56 -48.21 89.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.033 -0.667 . . . . 72.51 109.808 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -54.2 -46.96 72.56 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 122.063 -0.398 . . . . 105.63 110.912 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -57.77 -45.64 85.66 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.494 -0.482 . . . . 86.91 111.009 -179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.16 -45.53 79.64 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.987 -0.446 . . . . 100.33 110.847 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.56 97.58 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.398 -0.906 . . . . 80.76 112.749 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.65 -47.73 71.6 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.227 -0.572 . . . . 85.05 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.76 -44.36 93.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.736 -0.785 . . . . 92.43 110.056 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -55.23 -27.81 48.82 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.478 -0.489 . . . . 109.8 111.537 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -93.56 1.46 56.7 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.06 0.763 . . . . 93.32 113.06 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 14.7 mtp -90.03 -11.46 41.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.979 1.103 . . . . 115.9 113.979 -172.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt 55.56 36.12 26.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.78 0.718 . . . . 88.73 112.556 171.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.17 -0.66 72.39 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 116.419 1.328 . . . . 97.65 116.419 170.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.11 167.2 20.76 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.07 1.435 . . . . 114.69 110.445 175.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.6 t -63.37 128.69 36.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.187 -0.915 . . . . 70.59 110.68 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.5 p -91.34 10.72 26.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.95 0.722 . . . . 70.08 112.95 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -58.0 -51.87 67.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.442 0.565 . . . . 104.95 111.105 -173.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -63.45 -38.67 92.05 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.525 -0.47 . . . . 108.02 111.317 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.53 -41.84 95.27 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.226 -0.589 . . . . 98.15 111.195 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -68.99 -34.73 75.77 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.894 -0.723 . . . . 122.0 111.057 -177.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.33 -45.54 93.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 120.214 -0.594 . . . . 68.32 110.064 177.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 30.0 mtm105 -64.46 -37.84 88.92 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.63 -0.828 . . . . 129.99 110.779 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.1 tp -61.47 -47.8 84.04 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.125 -0.63 . . . . 71.15 110.67 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.26 87.9 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.452 -0.499 . . . . 54.31 111.184 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 48.4 m -63.34 -36.68 84.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.194 -0.602 . . . . 73.28 110.903 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -76.74 -40.13 49.52 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.804 -0.758 . . . . 119.92 111.139 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.21 -35.1 77.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.479 -0.888 . . . . 83.71 111.575 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -62.53 -37.19 85.12 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.183 -0.607 . . . . 80.59 110.867 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.4 -50.86 27.78 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.62 -0.432 . . . . 85.81 110.798 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 90.2 mt -55.42 -41.77 73.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.147 -0.621 . . . . 75.83 110.564 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 37' ' ' GLN . 25.8 ttm180 -55.99 -44.19 78.34 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.693 -0.403 . . . . 126.92 110.828 176.203 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -61.44 -37.16 82.52 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.51 -0.476 . . . . 109.66 111.202 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -64.68 -40.92 96.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.849 -0.74 . . . . 108.13 111.135 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.32 -42.55 96.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.209 -0.596 . . . . 110.99 111.421 -176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.49 -53.35 47.01 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.913 -0.715 . . . . 84.23 110.274 172.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -63.18 -52.75 61.1 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.936 0.398 . . . . 88.41 111.064 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.45 -36.25 82.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.699 -0.4 . . . . 69.42 111.365 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.71 85.83 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.139 -0.624 . . . . 85.86 110.985 177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.58 -50.13 70.65 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.693 -0.403 . . . . 113.57 110.804 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' ASP . . . . . 0.578 ' OD2' ' NH2' ' A' ' 99' ' ' ARG . 30.7 t70 -56.69 -38.44 72.27 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.112 -0.635 . . . . 82.45 110.837 177.336 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.23 -43.04 92.71 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.552 -0.459 . . . . 88.57 111.038 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' GLN . . . . . 0.461 ' NE2' ' OE2' ' A' ' 23' ' ' GLU . 18.8 tt0 -60.82 -39.0 87.35 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.863 -0.335 . . . . 106.61 111.214 177.145 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.63 -46.07 70.2 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.948 -0.47 . . . . 120.7 110.935 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.66 -30.97 71.75 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.042 -0.411 . . . . 123.73 111.689 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 36.8 mt -71.17 -38.5 72.16 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.317 -0.553 . . . . 80.09 111.051 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.25 -53.4 49.69 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.601 -0.439 . . . . 106.85 111.026 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.5 m -58.78 -30.11 41.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.401 -0.519 . . . . 135.07 110.29 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.97 -54.51 23.74 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.974 0.416 . . . . 141.42 110.708 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 119.17 110.868 -178.198 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.333 0 N-CA-C 113.461 0.144 . . . . 85.81 113.461 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -65.2 161.89 18.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 122.022 0.915 . . . . 77.02 110.707 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -57.14 -42.45 81.02 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.291 -0.868 . . . . 104.36 111.502 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -66.16 -31.31 72.07 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.141 -1.024 . . . . 65.37 110.744 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' OE2' ' NE2' ' A' ' 152' ' ' GLN . 67.0 mt-10 -69.15 -39.04 79.04 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 121.207 -0.197 . . . . 92.89 111.085 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.88 -41.39 97.75 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.736 -0.386 . . . . 64.64 111.17 173.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.86 95.06 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.216 -0.593 . . . . 44.78 110.633 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.32 -33.71 76.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.281 -0.568 . . . . 68.34 110.814 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -40.55 98.99 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.669 -0.777 . . . . 41.09 113.218 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -66.18 -35.95 81.81 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.581 -0.848 . . . . 112.79 111.226 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.68 -47.57 85.12 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.318 -0.553 . . . . 73.8 110.62 173.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -57.76 -49.76 75.5 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 111.739 0.274 . . . . 91.49 111.739 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -55.61 -42.44 74.89 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.212 -0.595 . . . . 43.12 110.978 -176.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -74.28 -44.16 53.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.086 -0.646 . . . . 63.86 110.755 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.5 -43.56 71.93 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.194 -0.602 . . . . 60.49 111.17 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -59.29 -45.12 92.12 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.684 -0.406 . . . . 78.9 111.444 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -60.99 -46.3 91.34 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.1 -0.64 . . . . 74.81 110.897 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -54.52 -41.16 53.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 120.518 -0.473 . . . . 53.97 110.541 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 141' ' ' ARG . 2.8 tt0 -67.05 -18.67 65.45 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.495 -0.882 . . . . 83.37 112.604 -175.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 p -61.5 -27.97 68.97 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.858 -1.137 . . . . 45.7 110.671 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt 53.87 36.3 23.82 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 121.898 0.856 . . . . 62.27 111.178 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.7 p -60.66 172.32 0.94 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.93 0.871 . . . . 50.37 109.938 171.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.84 -28.73 67.81 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.105 -1.038 . . . . 78.59 110.958 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -65.89 -42.69 89.93 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.669 -0.812 . . . . 84.35 110.764 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.03 -48.75 86.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.254 0.549 . . . . 42.0 110.064 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -56.5 -38.15 71.37 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.584 -0.846 . . . . 62.41 110.862 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.9 -53.44 57.84 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.274 -0.571 . . . . 74.75 111.171 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.6 -18.92 60.49 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.563 -0.455 . . . . 96.52 112.172 -176.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 tt -73.48 -50.12 23.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.516 -0.473 . . . . 69.76 110.626 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -68.1 -19.72 64.87 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.399 0.518 . . . . 85.09 112.399 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.3 p -89.12 7.13 36.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.537 0.608 . . . . 73.85 112.55 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 p 67.37 6.13 4.69 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.845 1.258 . . . . 95.48 113.001 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.71 -38.71 91.91 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.082 -0.647 . . . . 112.61 111.167 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.36 -48.59 82.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.39 -0.524 . . . . 65.74 110.331 -177.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.12 -30.9 71.48 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.445 -0.902 . . . . 92.66 111.3 -178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -66.75 -50.08 63.9 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.158 -0.617 . . . . 82.53 110.586 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.5 -42.89 91.6 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.301 -0.559 . . . . 78.27 111.024 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.17 -35.77 81.88 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.554 -0.858 . . . . 83.93 111.151 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.44 -48.32 80.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.569 -0.852 . . . . 80.58 110.582 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -58.98 -47.31 85.61 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.536 -0.466 . . . . 87.04 110.879 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.43 -40.38 82.37 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.55 -0.46 . . . . 64.4 111.181 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.6 ttp -62.62 -48.41 79.52 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.969 -0.292 . . . . 86.47 111.13 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.3 -48.01 83.24 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.027 -0.669 . . . . 131.17 110.881 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -60.14 -36.0 76.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.016 -0.674 . . . . 122.79 111.052 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 m -61.24 -50.02 74.75 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.817 -0.753 . . . . 52.03 110.74 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.76 -37.56 84.87 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.249 -0.58 . . . . 55.34 111.505 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.29 -52.53 64.32 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.205 -0.598 . . . . 101.14 110.777 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.28 -39.47 72.71 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.963 -0.695 . . . . 81.77 110.651 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.2 tp -64.37 -47.83 77.78 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.65 -0.42 . . . . 68.09 110.833 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -55.39 -54.87 38.32 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.124 0.488 . . . . 94.6 110.961 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.22 79.8 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.25 -0.58 . . . . 74.14 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.97 -34.13 77.09 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.722 -0.791 . . . . 81.87 111.375 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -60.42 -51.41 69.6 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.925 -0.71 . . . . 109.04 110.563 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 t -55.15 -35.82 65.13 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.741 -0.383 . . . . 89.49 111.157 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -59.52 -56.92 15.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.971 0.415 . . . . 102.08 111.099 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.33 -34.97 76.14 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.198 -0.601 . . . . 88.46 111.608 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.76 -33.6 76.03 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.212 -0.595 . . . . 104.69 111.994 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -77.44 -34.76 54.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.664 -0.814 . . . . 120.51 111.615 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -83.86 1.43 43.26 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.957 0.725 . . . . 121.54 112.957 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.6 tp -74.17 126.41 30.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.473 0.579 . . . . 88.51 110.188 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -52.72 129.11 45.71 Favored Pre-proline 0 C--O 1.238 0.489 0 N-CA-C 108.97 -0.752 . . . . 108.03 108.97 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 146.57 56.8 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 CA-C-N 118.861 0.629 . . . . 78.57 111.712 -174.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.9 165.14 9.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 107.665 -1.235 . . . . 91.68 107.665 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.84 139.01 4.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.415 -0.811 . . . . 90.94 110.566 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.59 -34.05 73.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.693 -0.685 . . . . 107.36 111.827 -174.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.03 -50.33 74.13 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.551 -0.459 . . . . 96.66 111.097 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.8 p -63.35 -36.3 83.24 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.035 -0.666 . . . . 84.15 111.239 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -62.07 -43.31 99.11 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.658 -0.417 . . . . 105.17 110.841 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.66 63.79 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.746 -0.382 . . . . 77.78 111.737 -178.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -70.12 -53.45 17.26 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.65 -0.42 . . . . 102.03 110.886 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.99 -36.41 70.34 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.755 -0.778 . . . . 81.3 110.667 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -61.6 -47.79 83.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.692 . . . . 75.18 110.452 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -69.01 -33.98 74.54 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.447 -0.501 . . . . 128.6 111.859 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -62.82 -36.11 82.12 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.16 -0.616 . . . . 97.05 111.1 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -78.43 -33.85 48.3 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.169 0.433 . . . . 80.63 112.169 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.19 -32.99 73.7 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.536 -0.866 . . . . 131.01 111.426 172.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.38 39.43 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.334 -0.546 . . . . 93.62 110.623 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.97 91.37 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.406 -0.518 . . . . 60.07 110.736 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -59.45 -44.26 92.99 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.713 -0.395 . . . . 85.73 110.638 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.76 -35.43 78.7 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.89 -0.324 . . . . 62.84 111.423 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' NH2' ' OD2' ' A' ' 150' ' ' ASP . 4.1 mtp180 -59.51 -48.91 79.82 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.531 -0.468 . . . . 111.64 110.72 178.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.79 -47.61 84.13 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.979 0.419 . . . . 72.64 110.822 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.04 -43.92 93.1 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.095 -1.05 . . . . 64.63 112.36 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.19 92.72 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 122.174 -0.603 . . . . 53.47 111.049 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.03 -50.66 70.29 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.262 -0.575 . . . . 91.44 110.791 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 78.5 mtm -65.09 -44.24 89.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.127 -0.629 . . . . 54.59 111.174 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -57.97 -40.44 80.61 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.522 -0.471 . . . . 88.98 111.118 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.54 -0.464 . . . . 77.86 111.183 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.17 -56.22 17.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.159 0.504 . . . . 48.75 110.155 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 68.1 m -53.38 -43.91 68.21 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.382 -0.527 . . . . 52.11 110.902 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.88 49.07 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.396 -0.906 . . . . 79.22 112.867 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -62.7 -27.09 69.01 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.537 -0.865 . . . . 140.61 111.108 -175.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.8 mt -75.08 -38.72 61.19 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.304 -0.558 . . . . 55.52 111.236 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.56 -48.21 89.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.033 -0.667 . . . . 60.42 109.808 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -54.2 -46.96 72.56 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 122.063 -0.398 . . . . 94.42 110.912 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -57.77 -45.64 85.66 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.494 -0.482 . . . . 72.43 111.009 -179.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.16 -45.53 79.64 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.987 -0.446 . . . . 83.61 110.847 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.56 97.58 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.398 -0.906 . . . . 67.3 112.749 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.65 -47.73 71.6 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.227 -0.572 . . . . 85.05 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.76 -44.36 93.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.736 -0.785 . . . . 77.02 110.056 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -55.23 -27.81 48.82 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.478 -0.489 . . . . 91.75 111.537 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -93.56 1.46 56.7 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.06 0.763 . . . . 77.77 113.06 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 14.7 mtp -90.03 -11.46 41.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.979 1.103 . . . . 96.58 113.979 -172.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt 55.56 36.12 26.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.78 0.718 . . . . 73.94 112.556 171.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.17 -0.66 72.39 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 116.419 1.328 . . . . 81.38 116.419 170.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.11 167.2 20.76 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.07 1.435 . . . . 114.69 110.445 175.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.6 t -63.37 128.69 36.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.187 -0.915 . . . . 58.82 110.68 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.5 p -91.34 10.72 26.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.95 0.722 . . . . 60.97 112.95 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -58.0 -51.87 67.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.442 0.565 . . . . 104.7 111.105 -173.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -63.45 -38.67 92.05 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.525 -0.47 . . . . 108.02 111.317 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.53 -41.84 95.27 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.226 -0.589 . . . . 81.79 111.195 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -68.99 -34.73 75.77 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.894 -0.723 . . . . 101.66 111.057 -177.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.33 -45.54 93.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 120.214 -0.594 . . . . 56.93 110.064 177.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 30.0 mtm105 -64.46 -37.84 88.92 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.63 -0.828 . . . . 108.33 110.779 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.1 tp -61.47 -47.8 84.04 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.125 -0.63 . . . . 59.29 110.67 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.26 87.9 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.452 -0.499 . . . . 45.26 111.184 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 48.4 m -63.34 -36.68 84.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.194 -0.602 . . . . 68.31 110.903 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -76.74 -40.13 49.52 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.804 -0.758 . . . . 99.94 111.139 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.21 -35.1 77.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.479 -0.888 . . . . 69.76 111.575 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -62.53 -37.19 85.12 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.183 -0.607 . . . . 67.16 110.867 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.4 -50.86 27.78 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.62 -0.432 . . . . 71.51 110.798 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 90.2 mt -55.42 -41.77 73.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.147 -0.621 . . . . 75.24 110.564 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 37' ' ' GLN . 25.8 ttm180 -55.99 -44.19 78.34 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.693 -0.403 . . . . 105.77 110.828 176.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -61.44 -37.16 82.52 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.51 -0.476 . . . . 91.38 111.202 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -64.68 -40.92 96.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.849 -0.74 . . . . 90.11 111.135 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.32 -42.55 96.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.209 -0.596 . . . . 92.49 111.421 -176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.49 -53.35 47.01 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.913 -0.715 . . . . 70.2 110.274 172.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -63.18 -52.75 61.1 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.936 0.398 . . . . 88.41 111.064 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.45 -36.25 82.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.699 -0.4 . . . . 67.5 111.365 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.71 85.83 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.139 -0.624 . . . . 71.55 110.985 177.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.58 -50.13 70.65 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.693 -0.403 . . . . 113.57 110.804 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' ASP . . . . . 0.578 ' OD2' ' NH2' ' A' ' 99' ' ' ARG . 30.7 t70 -56.69 -38.44 72.27 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.112 -0.635 . . . . 82.45 110.837 177.336 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.23 -43.04 92.71 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.552 -0.459 . . . . 75.41 111.038 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' GLN . . . . . 0.461 ' NE2' ' OE2' ' A' ' 23' ' ' GLU . 18.8 tt0 -60.82 -39.0 87.35 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.863 -0.335 . . . . 95.23 111.214 177.145 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.63 -46.07 70.2 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.948 -0.47 . . . . 100.58 110.935 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.66 -30.97 71.75 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.042 -0.411 . . . . 103.1 111.689 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 36.8 mt -71.17 -38.5 72.16 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.317 -0.553 . . . . 80.09 111.051 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.25 -53.4 49.69 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.601 -0.439 . . . . 99.2 111.026 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.5 m -58.78 -30.11 41.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.401 -0.519 . . . . 135.07 110.29 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.97 -54.51 23.74 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.974 0.416 . . . . 117.85 110.708 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 100.77 110.868 -178.198 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.333 0 N-CA-C 113.461 0.144 . . . . 85.81 113.461 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -65.2 161.89 18.31 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 122.022 0.915 . . . . 77.02 110.707 -177.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.1 mtt-85 -57.14 -42.45 81.02 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 115.291 -0.868 . . . . 104.36 111.502 -179.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -66.16 -31.31 72.07 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.141 -1.024 . . . . 65.37 110.744 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' OE2' ' NE2' ' A' ' 152' ' ' GLN . 67.0 mt-10 -69.15 -39.04 79.04 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 121.207 -0.197 . . . . 92.89 111.085 178.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.7 mt -63.88 -41.39 97.75 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 120.736 -0.386 . . . . 64.64 111.17 173.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.86 95.06 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.216 -0.593 . . . . 44.78 110.633 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.6 tp -63.32 -33.71 76.12 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.281 -0.568 . . . . 68.34 110.814 177.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.85 -40.55 98.99 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.669 -0.777 . . . . 41.09 113.218 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 -66.18 -35.95 81.81 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 119.581 -0.848 . . . . 112.79 111.226 175.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -59.68 -47.57 85.12 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.318 -0.553 . . . . 73.8 110.62 173.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.0 m95 -57.76 -49.76 75.5 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 111.739 0.274 . . . . 91.49 111.739 176.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -55.61 -42.44 74.89 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.212 -0.595 . . . . 43.12 110.978 -176.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -74.28 -44.16 53.93 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.086 -0.646 . . . . 63.86 110.755 -178.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.5 -43.56 71.93 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 120.194 -0.602 . . . . 60.49 111.17 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -59.29 -45.12 92.12 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.684 -0.406 . . . . 78.9 111.444 -177.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' TRP . . . . . . . . . . . . . 51.0 t90 -60.99 -46.3 91.34 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.1 -0.64 . . . . 74.81 110.897 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.6 t -54.52 -41.16 53.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.5 0 C-N-CA 120.518 -0.473 . . . . 53.97 110.541 179.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.495 ' OE1' ' NH2' ' A' ' 141' ' ' ARG . 2.8 tt0 -67.05 -18.67 65.45 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.495 -0.882 . . . . 83.37 112.604 -175.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 48.4 p -61.5 -27.97 68.97 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.858 -1.137 . . . . 45.7 110.671 173.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 47.6 mt 53.87 36.3 23.82 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 121.898 0.856 . . . . 62.27 111.178 178.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.7 p -60.66 172.32 0.94 Allowed 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.93 0.871 . . . . 50.37 109.938 171.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -67.84 -28.73 67.81 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.105 -1.038 . . . . 78.59 110.958 175.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -65.89 -42.69 89.93 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.669 -0.812 . . . . 84.35 110.764 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.8 t -60.03 -48.75 86.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 CA-C-O 121.254 0.549 . . . . 42.0 110.064 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -56.5 -38.15 71.37 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 119.584 -0.846 . . . . 62.41 110.862 178.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -59.9 -53.44 57.84 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.274 -0.571 . . . . 74.75 111.171 177.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.6 -18.92 60.49 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.563 -0.455 . . . . 96.52 112.172 -176.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 tt -73.48 -50.12 23.19 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.516 -0.473 . . . . 69.76 110.626 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -68.1 -19.72 64.87 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 112.399 0.518 . . . . 85.09 112.399 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 94.3 p -89.12 7.13 36.67 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 118.537 0.608 . . . . 73.85 112.55 175.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.0 p 67.37 6.13 4.69 Favored 'General case' 0 C--O 1.241 0.628 0 C-N-CA 124.845 1.258 . . . . 95.48 113.001 -178.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -64.71 -38.71 91.91 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 120.082 -0.647 . . . . 112.61 111.167 176.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -65.36 -48.59 82.61 Favored 'Isoleucine or valine' 0 C--O 1.236 0.371 0 C-N-CA 120.39 -0.524 . . . . 65.74 110.331 -177.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -66.12 -30.9 71.48 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.445 -0.902 . . . . 92.66 111.3 -178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 96.4 m -66.75 -50.08 63.9 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 120.158 -0.617 . . . . 82.53 110.586 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.5 -42.89 91.6 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.301 -0.559 . . . . 78.27 111.024 -176.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.17 -35.77 81.88 Favored 'General case' 0 C--O 1.236 0.381 0 C-N-CA 119.554 -0.858 . . . . 83.93 111.151 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -62.44 -48.32 80.18 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 119.569 -0.852 . . . . 80.58 110.582 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -58.98 -47.31 85.61 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 120.536 -0.466 . . . . 87.04 110.879 178.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 80.9 mt -58.43 -40.38 82.37 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.55 -0.46 . . . . 64.4 111.181 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 52.6 ttp -62.62 -48.41 79.52 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.969 -0.292 . . . . 86.47 111.13 176.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.3 -48.01 83.24 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.027 -0.669 . . . . 131.17 110.881 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.8 tpp85 -60.14 -36.0 76.54 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.016 -0.674 . . . . 122.79 111.052 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 m -61.24 -50.02 74.75 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.817 -0.753 . . . . 52.03 110.74 175.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 97.5 mmm -66.76 -37.56 84.87 Favored 'General case' 0 C--O 1.238 0.497 0 C-N-CA 120.249 -0.58 . . . . 55.34 111.505 -177.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -61.29 -52.53 64.32 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.205 -0.598 . . . . 101.14 110.777 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -56.28 -39.47 72.71 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.963 -0.695 . . . . 81.77 110.651 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 42.2 tp -64.37 -47.83 77.78 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.65 -0.42 . . . . 68.09 110.833 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -55.39 -54.87 38.32 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.124 0.488 . . . . 94.6 110.961 176.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.38 -41.22 79.8 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.25 -0.58 . . . . 74.14 111.104 -179.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -66.97 -34.13 77.09 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 119.722 -0.791 . . . . 81.87 111.375 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -60.42 -51.41 69.6 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 119.925 -0.71 . . . . 109.04 110.563 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 30.6 t -55.15 -35.82 65.13 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.741 -0.383 . . . . 89.49 111.157 178.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -59.52 -56.92 15.93 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 120.971 0.415 . . . . 102.08 111.099 177.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 72.1 mt -61.33 -34.97 76.14 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.198 -0.601 . . . . 88.46 111.608 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.76 -33.6 76.03 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.212 -0.595 . . . . 104.69 111.994 -179.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 70.0 tt0 -77.44 -34.76 54.49 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 119.664 -0.814 . . . . 120.51 111.615 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -83.86 1.43 43.26 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 112.957 0.725 . . . . 121.54 112.957 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.6 tp -74.17 126.41 30.53 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 118.473 0.579 . . . . 88.51 110.188 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -52.72 129.11 45.71 Favored Pre-proline 0 C--O 1.238 0.489 0 N-CA-C 108.97 -0.752 . . . . 108.03 108.97 173.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.96 146.57 56.8 Favored 'Trans proline' 0 CA--C 1.517 -0.358 0 CA-C-N 118.861 0.629 . . . . 78.57 111.712 -174.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.3 t -145.9 165.14 9.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 N-CA-C 107.665 -1.235 . . . . 91.68 107.665 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -45.84 139.01 4.45 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.415 -0.811 . . . . 90.94 110.566 174.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -60.59 -34.05 73.63 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.693 -0.685 . . . . 107.36 111.827 -174.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -60.03 -50.33 74.13 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.551 -0.459 . . . . 96.66 111.097 -179.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.8 p -63.35 -36.3 83.24 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 120.035 -0.666 . . . . 84.15 111.239 175.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 -62.07 -43.31 99.11 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 120.658 -0.417 . . . . 105.17 110.841 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -73.12 -30.66 63.79 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.746 -0.382 . . . . 77.78 111.737 -178.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -70.12 -53.45 17.26 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.65 -0.42 . . . . 102.03 110.886 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.6 mt -56.99 -36.41 70.34 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.755 -0.778 . . . . 81.3 110.667 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.1 t -61.6 -47.79 83.87 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 119.969 -0.692 . . . . 75.18 110.452 175.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -69.01 -33.98 74.54 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.447 -0.501 . . . . 128.6 111.859 179.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -62.82 -36.11 82.12 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.16 -0.616 . . . . 97.05 111.1 175.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.9 mp -78.43 -33.85 48.3 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 112.169 0.433 . . . . 80.63 112.169 179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -62.19 -32.99 73.7 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.536 -0.866 . . . . 131.01 111.426 172.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.38 39.43 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.334 -0.546 . . . . 93.62 110.623 176.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -62.28 -38.97 91.37 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.406 -0.518 . . . . 60.07 110.736 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -59.45 -44.26 92.99 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.713 -0.395 . . . . 85.73 110.638 176.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.76 -35.43 78.7 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 120.89 -0.324 . . . . 62.84 111.423 -179.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.578 ' NH2' ' OD2' ' A' ' 150' ' ' ASP . 4.1 mtp180 -59.51 -48.91 79.82 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.531 -0.468 . . . . 111.64 110.72 178.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.2 tp -58.79 -47.61 84.13 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.979 0.419 . . . . 72.64 110.822 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.04 -43.92 93.1 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.095 -1.05 . . . . 64.63 112.36 -179.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.12 -39.19 92.72 Favored 'General case' 0 C--O 1.237 0.406 0 O-C-N 122.174 -0.603 . . . . 53.47 111.049 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -56.03 -50.66 70.29 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.262 -0.575 . . . . 91.44 110.791 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 78.5 mtm -65.09 -44.24 89.52 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.127 -0.629 . . . . 54.59 111.174 -176.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -57.97 -40.44 80.61 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.522 -0.471 . . . . 88.98 111.118 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.22 -36.82 84.91 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.54 -0.464 . . . . 77.86 111.183 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 74.3 t -58.17 -56.22 17.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 121.159 0.504 . . . . 48.75 110.155 175.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' CYS . . . . . . . . . . . . . 68.1 m -53.38 -43.91 68.21 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.382 -0.527 . . . . 52.11 110.902 178.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.44 -52.88 49.07 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.396 -0.906 . . . . 79.22 112.867 -177.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -62.7 -27.09 69.01 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 119.537 -0.865 . . . . 140.61 111.108 -175.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 49.8 mt -75.08 -38.72 61.19 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.304 -0.558 . . . . 55.52 111.236 176.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 81.7 t -60.56 -48.21 89.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 C-N-CA 120.033 -0.667 . . . . 60.42 109.808 172.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -54.2 -46.96 72.56 Favored 'General case' 0 C--O 1.235 0.339 0 O-C-N 122.063 -0.398 . . . . 94.42 110.912 179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -57.77 -45.64 85.66 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 120.494 -0.482 . . . . 72.43 111.009 -179.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -56.16 -45.53 79.64 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.987 -0.446 . . . . 83.61 110.847 177.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -61.69 -39.56 97.58 Favored Glycine 0 C--N 1.335 0.526 0 C-N-CA 120.398 -0.906 . . . . 67.3 112.749 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -66.65 -47.73 71.6 Favored 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.227 -0.572 . . . . 85.05 111.014 -179.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 71.8 t -59.76 -44.36 93.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 C-N-CA 119.736 -0.785 . . . . 77.02 110.056 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -55.23 -27.81 48.82 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.478 -0.489 . . . . 91.75 111.537 178.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -93.56 1.46 56.7 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 113.06 0.763 . . . . 77.77 113.06 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' MET . . . . . . . . . . . . . 14.7 mtp -90.03 -11.46 41.42 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.979 1.103 . . . . 96.58 113.979 -172.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 15.5 mt 55.56 36.12 26.53 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 118.78 0.718 . . . . 73.94 112.556 171.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 92.17 -0.66 72.39 Favored Glycine 0 C--O 1.239 0.451 0 N-CA-C 116.419 1.328 . . . . 81.38 116.419 170.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.11 167.2 20.76 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 119.07 1.435 . . . . 114.69 110.445 175.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 16.6 t -63.37 128.69 36.98 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.187 -0.915 . . . . 58.82 110.68 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.5 p -91.34 10.72 26.27 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.95 0.722 . . . . 60.97 112.95 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -58.0 -51.87 67.85 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 118.442 0.565 . . . . 104.7 111.105 -173.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 61.6 tt0 -63.45 -38.67 92.05 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 120.525 -0.47 . . . . 108.02 111.317 -177.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 mt -60.53 -41.84 95.27 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.226 -0.589 . . . . 81.79 111.195 175.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 38.6 mtm105 -68.99 -34.73 75.77 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 119.894 -0.723 . . . . 101.66 111.057 -177.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 73.2 t -65.33 -45.54 93.04 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 120.214 -0.594 . . . . 56.93 110.064 177.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 30.0 mtm105 -64.46 -37.84 88.92 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 119.63 -0.828 . . . . 108.33 110.779 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 39.1 tp -61.47 -47.8 84.04 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 120.125 -0.63 . . . . 59.29 110.67 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -59.15 -41.26 87.9 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.452 -0.499 . . . . 45.26 111.184 179.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' THR . . . . . . . . . . . . . 48.4 m -63.34 -36.68 84.5 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.194 -0.602 . . . . 68.31 110.903 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HIS . . . . . . . . . . . . . 5.9 t-160 -76.74 -40.13 49.52 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 119.804 -0.758 . . . . 99.94 111.139 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.21 -35.1 77.85 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.479 -0.888 . . . . 69.76 111.575 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -62.53 -37.19 85.12 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 120.183 -0.607 . . . . 67.16 110.867 177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -71.4 -50.86 27.78 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.62 -0.432 . . . . 71.51 110.798 178.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 90.2 mt -55.42 -41.77 73.22 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 120.147 -0.621 . . . . 75.24 110.564 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.495 ' NH2' ' OE1' ' A' ' 37' ' ' GLN . 25.8 ttm180 -55.99 -44.19 78.34 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 120.693 -0.403 . . . . 105.77 110.828 176.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -61.44 -37.16 82.52 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.51 -0.476 . . . . 91.38 111.202 -179.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -64.68 -40.92 96.23 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.849 -0.74 . . . . 90.11 111.135 178.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 7.1 mt -64.32 -42.55 96.25 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.209 -0.596 . . . . 92.49 111.421 -176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 84.4 mt -52.49 -53.35 47.01 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.913 -0.715 . . . . 70.2 110.274 172.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -63.18 -52.75 61.1 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.936 0.398 . . . . 88.41 111.064 -175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -66.45 -36.25 82.31 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.699 -0.4 . . . . 67.5 111.365 -175.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' ALA . . . . . . . . . . . . . . . -67.35 -40.71 85.83 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 120.139 -0.624 . . . . 71.55 110.985 177.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -63.58 -50.13 70.65 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.693 -0.403 . . . . 113.57 110.804 179.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.578 ' OD2' ' NH2' ' A' ' 99' ' ' ARG . 30.7 t70 -56.69 -38.44 72.27 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.112 -0.635 . . . . 82.45 110.837 177.336 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 56.5 tp -65.23 -43.04 92.71 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.552 -0.459 . . . . 75.41 111.038 179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' GLN . . . . . 0.461 ' NE2' ' OE2' ' A' ' 23' ' ' GLU . 18.8 tt0 -60.82 -39.0 87.35 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.863 -0.335 . . . . 95.23 111.214 177.145 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -68.63 -46.07 70.2 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.948 -0.47 . . . . 100.58 110.935 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.66 -30.97 71.75 Favored 'General case' 0 C--O 1.236 0.393 0 O-C-N 122.042 -0.411 . . . . 103.1 111.689 -179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 36.8 mt -71.17 -38.5 72.16 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.317 -0.553 . . . . 80.09 111.051 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -64.25 -53.4 49.69 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.601 -0.439 . . . . 99.2 111.026 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 21.5 m -58.78 -30.11 41.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 C-N-CA 120.401 -0.519 . . . . 135.07 110.29 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -50.97 -54.51 23.74 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.974 0.416 . . . . 117.85 110.708 176.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' GLN . . . . . . . . . . . . . 2.5 pp0? . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 100.77 110.868 -178.198 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_