data_3qh9_residue 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 3qh9 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.391 0 CA-C-O 123.145 1.45 . . . . 85.43 113.743 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -29.69 69.91 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 105.128 -2.175 . . . . 97.11 105.128 153.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.03 -25.32 58.65 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 115.881 1.808 . . . . 96.46 115.881 -179.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -48.68 79.69 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-O 121.177 0.513 . . . . 86.32 110.89 157.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.35 -46.09 91.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.4 -0.818 . . . . 56.11 110.729 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -65.56 -44.86 85.44 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 112.177 0.436 . . . . 69.52 112.177 -176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.71 -35.81 80.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 119.766 -0.774 . . . . 63.7 111.489 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.28 76.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.744 -0.836 . . . . 37.99 108.744 175.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.39 -30.42 69.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 119.048 -1.061 . . . . 41.16 112.096 -172.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -61.2 -52.97 62.58 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.208 1.403 . . . . 74.44 111.377 175.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -34.72 60.44 Favored 'General case' 0 C--O 1.195 -1.803 0 N-CA-C 116.137 1.903 . . . . 50.02 116.137 170.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.16 -43.47 70.8 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 120.141 1.337 . . . . 46.25 110.341 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.15 -49.21 72.39 Favored 'General case' 0 CA--C 1.5 -0.967 0 C-N-CA 126.491 1.917 . . . . 75.68 109.62 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -61.42 -41.38 97.06 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 114.262 1.208 . . . . 57.69 114.262 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -46.51 89.66 Favored 'General case' 0 CA--C 1.48 -1.726 0 C-N-CA 124.61 1.164 . . . . 43.27 111.233 175.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -57.45 -46.06 84.03 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.167 0.917 . . . . 74.12 110.587 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -68.0 -45.47 73.99 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 120.598 -0.441 . . . . 67.18 109.957 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.73 -34.1 73.9 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.488 -0.758 . . . . 40.99 111.389 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -70.23 -36.5 74.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.028 0.751 . . . . 63.77 113.028 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.56 -44.46 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 124.377 1.048 . . . . 46.75 109.47 170.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -47.62 84.96 Favored 'General case' 0 C--O 1.199 -1.585 0 C-N-CA 119.453 -0.899 . . . . 55.57 110.353 179.014 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -59.58 -43.75 91.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 107.588 -1.264 . . . . 33.2 107.588 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.8 -45.89 88.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.129 0.49 . . . . 84.58 111.392 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -66.89 -49.37 65.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.644 0.979 . . . . 74.5 113.644 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 mt -53.87 -35.14 61.24 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 114.418 1.266 . . . . 29.86 114.418 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.74 -18.69 59.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.798 1.239 . . . . 64.96 113.894 170.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.02 -52.3 11.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 119.442 -0.903 . . . . 72.59 110.953 164.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.8 -42.89 62.82 Favored 'General case' 0 CA--C 1.59 2.489 0 N-CA-C 114.431 1.271 . . . . 74.88 114.431 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . 0.597 ' CG ' ' NH1' ' A' ' 42' ' ' ARG . 55.1 ttp180 -53.91 -50.18 66.94 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 121.283 -0.886 . . . . 42.85 112.562 173.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 104' ' ' HOH . 5.2 t-20 -60.27 -34.89 74.37 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.408 0.623 . . . . 72.39 112.207 -178.272 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -88.2 -26.0 22.62 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.598 -0.841 . . . . 78.95 112.914 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -41.63 98.95 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 109.728 -0.471 . . . . 66.22 109.728 165.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -36.07 80.73 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.094 -1.004 . . . . 52.35 112.459 178.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -79.19 -39.06 34.28 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.265 -0.897 . . . . 41.58 113.128 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.28 -34.85 77.35 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.169 0.985 . . . . 63.88 112.997 170.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.93 -44.74 84.25 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 117.812 -1.555 . . . . 26.45 107.576 176.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -48.75 73.72 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.554 -0.716 . . . . 44.63 110.468 177.271 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.35 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-O 122.464 1.126 . . . . 22.34 111.364 179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.6 m -67.19 -36.28 81.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 120.106 -1.621 . . . . 24.75 109.431 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -65.94 -28.6 69.04 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-N 115.731 -0.668 . . . . 31.46 112.413 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.26 70.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 121.131 -0.981 . . . . 18.01 109.226 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -65.73 -45.79 81.31 Favored 'General case' 0 C--O 1.182 -2.476 0 O-C-N 121.805 -0.56 . . . . 50.82 110.365 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.47 -45.13 57.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 120.84 -1.162 . . . . 16.42 112.23 171.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.86 -42.04 86.34 Favored 'General case' 0 C--O 1.206 -1.227 0 O-C-N 121.41 -0.806 . . . . 15.18 108.847 -174.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.52 99.19 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 119.079 0.854 . . . . 61.83 111.474 177.664 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.61 -32.54 72.68 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 115.708 1.744 . . . . 19.65 115.708 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . 0.91 ' OE1' ' O ' ' A' ' 112' ' ' HOH . 47.3 tt0 -74.45 -32.75 62.71 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 102.246 -3.242 . . . . 29.12 102.246 -178.614 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.99 -41.51 90.99 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.597 -1.241 . . . . 49.5 111.141 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.84 -37.67 86.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 119.476 1.034 . . . . 30.41 110.852 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.41 -46.06 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 121.586 0.708 . . . . 23.03 111.34 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.86 83.33 Favored 'General case' 0 CA--C 1.598 2.808 0 C-N-CA 124.846 1.258 . . . . 14.83 109.772 -174.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.81 -41.51 95.74 Favored 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 108.745 -0.835 . . . . 19.83 108.745 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . 0.712 ' NZ ' ' O ' ' A' ' 115' ' ' HOH . 14.7 mttt -71.71 -38.72 70.47 Favored 'General case' 0 N--CA 1.415 -2.196 0 CA-C-O 115.506 -2.187 . . . . 40.3 112.214 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -58.06 -41.5 83.46 Favored 'General case' 0 C--O 1.188 -2.178 0 O-C-N 125.746 1.904 . . . . 40.2 111.13 170.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.04 84.34 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 124.141 1.924 . . . . 18.67 113.613 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -73.49 -39.07 65.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.244 -1.798 . . . . 40.31 110.706 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.54 -43.62 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 118.369 0.531 . . . . 24.7 111.133 173.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.55 -41.0 93.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.597 1.189 . . . . 54.85 112.243 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -61.99 -47.02 86.69 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 119.938 -1.726 . . . . 33.99 111.187 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.06 -46.15 91.84 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.832 1.332 . . . . 25.09 112.695 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -57.25 -38.51 73.95 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 115.86 1.8 . . . . 59.22 115.86 173.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.2 m -58.65 -45.51 89.17 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-O 122.513 1.149 . . . . 42.41 113.628 171.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -64.18 -56.09 17.2 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.419 -1.264 . . . . 50.78 110.711 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . 0.936 ' CD2' ' I ' ' A' ' 82' ' ' IOD . 0.0 OUTLIER -60.29 -23.45 64.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.632 0.73 . . . . 55.88 111.197 -179.503 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 90.9 p -85.71 -1.43 57.18 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 116.056 1.872 . . . . 65.66 116.056 -175.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 . . . . . 0 N--CA 1.478 0.957 0 CA-C-N 119.029 0.831 . . . . 61.94 111.856 177.559 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' IOD . . . . . 0.936 ' I ' ' CD2' ' A' ' 77' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . 0.527 ' O ' ' ND2' ' A' ' 43' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . 0.91 ' O ' ' OE1' ' A' ' 60' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . 0.712 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.391 0 CA-C-O 123.145 1.45 . . . . 85.430000000000007 113.743 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -29.69 69.91 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 105.128 -2.175 . . . . 97.109999999999999 105.128 153.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.03 -25.32 58.65 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 115.881 1.808 . . . . 96.459999999999994 115.881 -179.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -48.68 79.69 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-O 121.177 0.513 . . . . 86.319999999999993 110.89 157.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.35 -46.09 91.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.4 -0.818 . . . . 56.109999999999999 110.729 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -65.56 -44.86 85.44 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 112.177 0.436 . . . . 69.519999999999996 112.177 -176.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.71 -35.81 80.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 119.766 -0.774 . . . . 63.700000000000003 111.489 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.28 76.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.744 -0.836 . . . . 37.990000000000002 108.744 175.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.39 -30.42 69.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 119.048 -1.061 . . . . 41.159999999999997 112.096 -172.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -61.2 -52.97 62.58 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.208 1.403 . . . . 74.439999999999998 111.377 175.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -34.72 60.44 Favored 'General case' 0 C--O 1.195 -1.803 0 N-CA-C 116.137 1.903 . . . . 50.020000000000003 116.137 170.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.16 -43.47 70.8 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 120.141 1.337 . . . . 46.25 110.341 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.15 -49.21 72.39 Favored 'General case' 0 CA--C 1.5 -0.967 0 C-N-CA 126.491 1.917 . . . . 75.680000000000007 109.62 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -61.42 -41.38 97.06 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 114.262 1.208 . . . . 57.689999999999998 114.262 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -46.51 89.66 Favored 'General case' 0 CA--C 1.48 -1.726 0 C-N-CA 124.61 1.164 . . . . 43.270000000000003 111.233 175.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -57.45 -46.06 84.03 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.167 0.917 . . . . 74.120000000000005 110.587 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -68.0 -45.47 73.99 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 120.598 -0.441 . . . . 67.180000000000007 109.957 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.73 -34.1 73.9 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.488 -0.758 . . . . 40.990000000000002 111.389 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -70.23 -36.5 74.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.028 0.751 . . . . 63.770000000000003 113.028 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.56 -44.46 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 124.377 1.048 . . . . 46.75 109.47 170.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -47.62 84.96 Favored 'General case' 0 C--O 1.199 -1.585 0 C-N-CA 119.453 -0.899 . . . . 55.57 110.353 179.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -59.58 -43.75 91.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 107.588 -1.264 . . . . 33.200000000000003 107.588 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.8 -45.89 88.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.129 0.49 . . . . 84.579999999999998 111.392 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -66.89 -49.37 65.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.644 0.979 . . . . 74.5 113.644 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 mt -53.87 -35.14 61.24 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 114.418 1.266 . . . . 29.859999999999999 114.418 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.74 -18.69 59.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.798 1.239 . . . . 64.959999999999994 113.894 170.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.02 -52.3 11.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 119.442 -0.903 . . . . 72.590000000000003 110.953 164.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.8 -42.89 62.82 Favored 'General case' 0 CA--C 1.59 2.489 0 N-CA-C 114.431 1.271 . . . . 74.879999999999995 114.431 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 1.1 HH11 ' HG2' ' A' ' 42' ' ' ARG . 55.1 ttp180 -53.91 -50.18 66.94 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 121.283 -0.886 . . . . 42.850000000000001 112.562 173.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -60.27 -34.89 74.37 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.408 0.623 . . . . 72.390000000000001 112.207 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -88.2 -26.0 22.62 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.598 -0.841 . . . . 78.950000000000003 112.914 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -41.63 98.95 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 109.728 -0.471 . . . . 66.219999999999999 109.728 165.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -36.07 80.73 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.094 -1.004 . . . . 52.350000000000001 112.459 178.772 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -79.19 -39.06 34.28 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.265 -0.897 . . . . 41.579999999999998 113.128 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.28 -34.85 77.35 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.169 0.985 . . . . 63.880000000000003 112.997 170.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.93 -44.74 84.25 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 117.812 -1.555 . . . . 26.449999999999999 107.576 176.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -48.75 73.72 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.554 -0.716 . . . . 44.630000000000003 110.468 177.271 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.35 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-O 122.464 1.126 . . . . 22.34 111.364 179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.6 m -67.19 -36.28 81.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 120.106 -1.621 . . . . 24.75 109.431 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -65.94 -28.6 69.04 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-N 115.731 -0.668 . . . . 31.460000000000001 112.413 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.26 70.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 121.131 -0.981 . . . . 18.010000000000002 109.226 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -65.73 -45.79 81.31 Favored 'General case' 0 C--O 1.182 -2.476 0 O-C-N 121.805 -0.56 . . . . 50.82 110.365 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.47 -45.13 57.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 120.84 -1.162 . . . . 16.420000000000002 112.23 171.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.86 -42.04 86.34 Favored 'General case' 0 C--O 1.206 -1.227 0 O-C-N 121.41 -0.806 . . . . 15.18 108.847 -174.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.52 99.19 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 119.079 0.854 . . . . 61.829999999999998 111.474 177.664 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.61 -32.54 72.68 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 115.708 1.744 . . . . 19.649999999999999 115.708 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . 0.91 ' OE1' ' O ' ' A' ' 112' ' ' HOH . 47.3 tt0 -74.45 -32.75 62.71 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 102.246 -3.242 . . . . 29.120000000000001 102.246 -178.614 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.99 -41.51 90.99 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.597 -1.241 . . . . 49.5 111.141 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.84 -37.67 86.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 119.476 1.034 . . . . 30.41 110.852 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.41 -46.06 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 121.586 0.708 . . . . 23.030000000000001 111.34 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.86 83.33 Favored 'General case' 0 CA--C 1.598 2.808 0 C-N-CA 124.846 1.258 . . . . 14.83 109.772 -174.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.81 -41.51 95.74 Favored 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 108.745 -0.835 . . . . 19.829999999999998 108.745 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . 0.674 ' NZ ' ' O ' ' A' ' 115' ' ' HOH . 14.7 mttt -71.71 -38.72 70.47 Favored 'General case' 0 N--CA 1.415 -2.196 0 CA-C-O 115.506 -2.187 . . . . 40.299999999999997 112.214 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -58.06 -41.5 83.46 Favored 'General case' 0 C--O 1.188 -2.178 0 O-C-N 125.746 1.904 . . . . 40.200000000000003 111.13 170.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.04 84.34 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 124.141 1.924 . . . . 18.670000000000002 113.613 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -73.49 -39.07 65.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.244 -1.798 . . . . 40.310000000000002 110.706 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.54 -43.62 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 118.369 0.531 . . . . 24.699999999999999 111.133 173.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.55 -41.0 93.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.597 1.189 . . . . 54.850000000000001 112.243 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -61.99 -47.02 86.69 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 119.938 -1.726 . . . . 33.990000000000002 111.187 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.06 -46.15 91.84 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.832 1.332 . . . . 25.09 112.695 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -57.25 -38.51 73.95 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 115.86 1.8 . . . . 59.219999999999999 115.86 173.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 114' ' ' HOH . 75.2 m -58.65 -45.51 89.17 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-O 122.513 1.149 . . . . 42.409999999999997 113.628 171.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -64.18 -56.09 17.2 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.419 -1.264 . . . . 50.780000000000001 110.711 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . 1.074 HD21 ' I ' ' A' ' 82' ' ' IOD . 0.0 OUTLIER -60.29 -23.45 64.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.632 0.73 . . . . 55.880000000000003 111.197 -179.503 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . 0.566 ' N ' HD23 ' A' ' 77' ' ' LEU . 90.9 p -85.71 -1.43 57.18 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 116.056 1.872 . . . . 65.659999999999997 116.056 -175.767 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 . . . . . 0 N--CA 1.478 0.957 0 CA-C-N 119.029 0.831 . . . . 61.939999999999998 111.856 177.559 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' IOD . . . . . 1.074 ' I ' HD21 ' A' ' 77' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . 0.467 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . 0.91 ' O ' ' OE1' ' A' ' 60' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . 0.674 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.391 0 CA-C-O 123.145 1.45 . . . . 85.430000000000007 113.743 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.1 -29.69 69.91 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 105.128 -2.175 . . . . 97.109999999999999 105.128 153.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -75.03 -25.32 58.65 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 115.881 1.808 . . . . 96.459999999999994 115.881 -179.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -48.68 79.69 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-O 121.177 0.513 . . . . 86.319999999999993 110.89 157.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.35 -46.09 91.18 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 115.4 -0.818 . . . . 56.109999999999999 110.729 174.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -65.56 -44.86 85.44 Favored 'General case' 0 C--O 1.247 0.973 0 N-CA-C 112.177 0.436 . . . . 69.519999999999996 112.177 -176.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -62.71 -35.81 80.91 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 119.766 -0.774 . . . . 63.700000000000003 111.489 174.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.02 -49.28 76.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.744 -0.836 . . . . 37.990000000000002 108.744 175.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.39 -30.42 69.33 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 119.048 -1.061 . . . . 41.159999999999997 112.096 -172.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -61.2 -52.97 62.58 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.208 1.403 . . . . 74.439999999999998 111.377 175.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -53.94 -34.72 60.44 Favored 'General case' 0 C--O 1.195 -1.803 0 N-CA-C 116.137 1.903 . . . . 50.020000000000003 116.137 170.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.7 mt -70.16 -43.47 70.8 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 120.141 1.337 . . . . 46.25 110.341 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -55.15 -49.21 72.39 Favored 'General case' 0 CA--C 1.5 -0.967 0 C-N-CA 126.491 1.917 . . . . 75.680000000000007 109.62 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -61.42 -41.38 97.06 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 114.262 1.208 . . . . 57.689999999999998 114.262 177.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.34 -46.51 89.66 Favored 'General case' 0 CA--C 1.48 -1.726 0 C-N-CA 124.61 1.164 . . . . 43.270000000000003 111.233 175.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.5 mtm-85 -57.45 -46.06 84.03 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 124.167 0.917 . . . . 74.120000000000005 110.587 177.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -68.0 -45.47 73.99 Favored 'General case' 0 CA--C 1.564 1.502 0 C-N-CA 120.598 -0.441 . . . . 67.180000000000007 109.957 -175.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.8 mt -60.73 -34.1 73.9 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 121.488 -0.758 . . . . 40.990000000000002 111.389 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -70.23 -36.5 74.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.028 0.751 . . . . 63.770000000000003 113.028 -179.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.56 -44.46 93.89 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 O-C-N 124.377 1.048 . . . . 46.75 109.47 170.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -47.62 84.96 Favored 'General case' 0 C--O 1.199 -1.585 0 C-N-CA 119.453 -0.899 . . . . 55.57 110.353 179.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.2 t -59.58 -43.75 91.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 107.588 -1.264 . . . . 33.200000000000003 107.588 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -58.8 -45.89 88.86 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-O 121.129 0.49 . . . . 84.579999999999998 111.392 -179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -66.89 -49.37 65.83 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.644 0.979 . . . . 74.5 113.644 176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.1 mt -53.87 -35.14 61.24 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 114.418 1.266 . . . . 29.859999999999999 114.418 176.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -75.74 -18.69 59.47 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.798 1.239 . . . . 64.959999999999994 113.894 170.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -75.02 -52.3 11.43 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 119.442 -0.903 . . . . 72.590000000000003 110.953 164.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -51.8 -42.89 62.82 Favored 'General case' 0 CA--C 1.59 2.489 0 N-CA-C 114.431 1.271 . . . . 74.879999999999995 114.431 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 1.1 HH11 ' HG2' ' A' ' 42' ' ' ARG . 55.1 ttp180 -53.91 -50.18 66.94 Favored 'General case' 0 CA--C 1.556 1.177 0 O-C-N 121.283 -0.886 . . . . 42.850000000000001 112.562 173.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -60.27 -34.89 74.37 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.408 0.623 . . . . 72.390000000000001 112.207 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -88.2 -26.0 22.62 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 119.598 -0.841 . . . . 78.950000000000003 112.914 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -41.63 98.95 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 109.728 -0.471 . . . . 66.219999999999999 109.728 165.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -36.07 80.73 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.094 -1.004 . . . . 52.350000000000001 112.459 178.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 81.6 m95 -79.19 -39.06 34.28 Favored 'General case' 0 CA--C 1.563 1.464 0 O-C-N 121.265 -0.897 . . . . 41.579999999999998 113.128 177.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -62.28 -34.85 77.35 Favored 'General case' 0 N--CA 1.493 1.712 0 CA-C-O 122.169 0.985 . . . . 63.880000000000003 112.997 170.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 55.1 tp -65.93 -44.74 84.25 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 117.812 -1.555 . . . . 26.449999999999999 107.576 176.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -48.75 73.72 Favored 'General case' 0 C--N 1.318 -0.784 0 O-C-N 121.554 -0.716 . . . . 44.630000000000003 110.468 177.271 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -41.59 92.35 Favored 'General case' 0 C--O 1.252 1.235 0 CA-C-O 122.464 1.126 . . . . 22.34 111.364 179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 28.6 m -67.19 -36.28 81.43 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 120.106 -1.621 . . . . 24.75 109.431 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.3 mttt -65.94 -28.6 69.04 Favored 'General case' 0 C--O 1.188 -2.146 0 CA-C-N 115.731 -0.668 . . . . 31.460000000000001 112.413 176.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.38 -34.26 70.27 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 121.131 -0.981 . . . . 18.010000000000002 109.226 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 63.9 tt0 -65.73 -45.79 81.31 Favored 'General case' 0 C--O 1.182 -2.476 0 O-C-N 121.805 -0.56 . . . . 50.82 110.365 174.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.47 -45.13 57.67 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 O-C-N 120.84 -1.162 . . . . 16.420000000000002 112.23 171.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.86 -42.04 86.34 Favored 'General case' 0 C--O 1.206 -1.227 0 O-C-N 121.41 -0.806 . . . . 15.18 108.847 -174.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -42.52 99.19 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 119.079 0.854 . . . . 61.829999999999998 111.474 177.664 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.61 -32.54 72.68 Favored 'General case' 0 C--O 1.26 1.635 0 N-CA-C 115.708 1.744 . . . . 19.649999999999999 115.708 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.91 ' OE1' ' O ' ' A' ' 112' ' ' HOH . 47.3 tt0 -74.45 -32.75 62.71 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 102.246 -3.242 . . . . 29.120000000000001 102.246 -178.614 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -65.99 -41.51 90.99 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.597 -1.241 . . . . 49.5 111.141 179.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -65.84 -37.67 86.84 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 119.476 1.034 . . . . 30.41 110.852 176.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 64.0 t -58.41 -46.06 89.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.234 0 CA-C-O 121.586 0.708 . . . . 23.030000000000001 111.34 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.83 -36.86 83.33 Favored 'General case' 0 CA--C 1.598 2.808 0 C-N-CA 124.846 1.258 . . . . 14.83 109.772 -174.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.81 -41.51 95.74 Favored 'General case' 0 C--O 1.189 -2.084 0 N-CA-C 108.745 -0.835 . . . . 19.829999999999998 108.745 176.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.674 ' NZ ' ' O ' ' A' ' 115' ' ' HOH . 14.7 mttt -71.71 -38.72 70.47 Favored 'General case' 0 N--CA 1.415 -2.196 0 CA-C-O 115.506 -2.187 . . . . 40.299999999999997 112.214 178.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -58.06 -41.5 83.46 Favored 'General case' 0 C--O 1.188 -2.178 0 O-C-N 125.746 1.904 . . . . 40.200000000000003 111.13 170.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -37.04 84.34 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 124.141 1.924 . . . . 18.670000000000002 113.613 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 31.9 tp10 -73.49 -39.07 65.14 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 113.244 -1.798 . . . . 40.310000000000002 110.706 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 56.2 mt -62.54 -43.62 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.2 0 CA-C-N 118.369 0.531 . . . . 24.699999999999999 111.133 173.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.55 -41.0 93.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 122.597 1.189 . . . . 54.850000000000001 112.243 175.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 57.2 ttp85 -61.99 -47.02 86.69 Favored 'General case' 0 C--O 1.265 1.917 0 O-C-N 119.938 -1.726 . . . . 33.990000000000002 111.187 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.06 -46.15 91.84 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.832 1.332 . . . . 25.09 112.695 177.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -57.25 -38.51 73.95 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 115.86 1.8 . . . . 59.219999999999999 115.86 173.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 114' ' ' HOH . 75.2 m -58.65 -45.51 89.17 Favored 'General case' 0 N--CA 1.506 2.366 0 CA-C-O 122.513 1.149 . . . . 42.409999999999997 113.628 171.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -64.18 -56.09 17.2 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 114.419 -1.264 . . . . 50.780000000000001 110.711 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.074 HD21 ' I ' ' A' ' 82' ' ' IOD . 0.0 OUTLIER -60.29 -23.45 64.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.632 0.73 . . . . 55.880000000000003 111.197 -179.503 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . 0.566 ' N ' HD23 ' A' ' 77' ' ' LEU . 90.9 p -85.71 -1.43 57.18 Favored 'General case' 0 CA--C 1.56 1.358 0 N-CA-C 116.056 1.872 . . . . 65.659999999999997 116.056 -175.767 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 . . . . . 0 N--CA 1.478 0.957 0 CA-C-N 119.029 0.831 . . . . 61.939999999999998 111.856 177.559 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' IOD . . . . . 1.074 ' I ' HD21 ' A' ' 77' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' NH4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . 0.467 ' O ' ' HG3' ' A' ' 60' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . 0.91 ' O ' ' OE1' ' A' ' 60' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . 0.402 ' O ' ' HB2' ' A' ' 75' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . 0.674 ' O ' ' NZ ' ' A' ' 66' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_