data_4uut_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 4uut _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 ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 CA--C 1.574 1.873 0 CA-C-O 119.42 -0.324 . . . . 117.5 111.318 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -126.06 124.58 40.94 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 113.005 0.743 . . . . 102.97 113.005 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 p -64.21 165.94 8.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.435 1.494 . . . . 91.670000000000002 112.831 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -44.04 77.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.764 0.826 . . . . 122.78 109.98 177.785 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -66.93 -50.56 61.99 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.186 1.394 . . . . 86.260000000000005 112.665 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -54.3 -49.91 68.56 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.367 0.667 . . . . 77.719999999999999 110.71 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -58.38 -48.51 80.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.108 0.963 . . . . 83.170000000000002 111.039 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.81 -39.85 90.5 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.047 0.939 . . . . 81.430000000000007 111.168 -179.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -78.85 -33.94 45.51 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 118.855 -0.593 . . . . 98.819999999999993 112.045 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.03 -42.44 76.36 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.467 -0.938 . . . . 72.280000000000001 108.467 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.8 -43.78 97.9 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 124.722 1.209 . . . . 97.159999999999997 112.731 176.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -57.09 -53.6 56.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.059 1.344 . . . . 113.23999999999999 107.416 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.7 -45.96 90.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.349 1.06 . . . . 85.450000000000003 111.481 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -55.38 -43.72 75.41 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 123.448 0.699 . . . . 74.959999999999994 112.024 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.12 -32.82 72.47 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.562 -0.732 . . . . 88.319999999999993 111.782 -178.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 m -65.46 -44.46 87.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.909 0.884 . . . . 74.689999999999998 110.699 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -157.14 122.06 4.5 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.328 1.851 . . . . 85.829999999999998 112.551 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -70.74 -26.69 63.49 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 112.082 0.401 . . . . 74.680000000000007 112.082 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -113.34 137.13 51.96 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.887 0.475 . . . . 82.780000000000001 110.527 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -110.79 153.65 25.05 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 123.299 0.375 . . . . 73.150000000000006 110.842 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -87.39 162.98 17.02 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 105.602 -1.999 . . . . 74.870000000000005 105.602 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -58.1 -43.16 86.94 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.336 -0.84 . . . . 125.5 108.804 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -56.45 -49.43 74.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.45 0.7 . . . . 118.39 110.491 178.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -60.46 -44.39 95.92 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.844 -1.074 . . . . 88.099999999999994 113.214 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -55.86 -40.67 73.25 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 123.667 0.787 . . . . 134.12 109.691 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.4 -54.01 40.86 Favored 'Isoleucine or valine' 0 C--N 1.369 1.426 0 C-N-CA 124.811 1.245 . . . . 75.019999999999996 108.83 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -49.72 -51.02 41.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.763 1.225 . . . . 119.38 110.944 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm -57.78 -46.48 84.53 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 127.146 2.178 . . . . 86.629999999999995 109.862 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.94 -49.18 74.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.735 1.214 . . . . 74.459999999999994 112.153 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -71.83 -35.63 69.97 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.91 0.884 . . . . 80.269999999999996 112.604 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.8 63.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 113.119 0.785 . . . . 79.989999999999995 113.119 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.85 -2.82 55.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.037 1.335 . . . . 74.109999999999999 113.103 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' 2004 ' ' HOH . 79.0 m 54.19 49.2 19.2 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.18 0.992 . . . . 75.359999999999999 112.076 -179.095 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.73 146.45 50.22 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.485 2.714 . . . . 73.959999999999994 105.216 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -70.74 166.03 21.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 119.266 -0.973 . . . . 74.180000000000007 111.601 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.88 -43.01 69.26 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.138 1.375 . . . . 114.81 108.394 174.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -63.68 -45.92 87.9 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.299 1.44 . . . . 142.97 111.64 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -60.58 -37.04 80.02 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 123.389 0.676 . . . . 93.670000000000002 111.207 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.58 -44.7 60.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 123.738 0.815 . . . . 76.200000000000003 110.783 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.45 -45.25 88.94 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.334 1.453 . . . . 121.11 111.925 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.45 -48.75 76.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.191 0 C-N-CA 126.503 1.921 . . . . 87.939999999999998 109.519 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -52.8 -49.86 64.77 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.461 0.476 . . . . 77.590000000000003 110.432 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.74 -34.62 77.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 124.997 1.319 . . . . 78.540000000000006 113.548 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -69.97 -47.05 63.79 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.487 -0.931 . . . . 116.18000000000001 108.487 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -62.96 -40.26 97.17 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.907 0.883 . . . . 98.019999999999996 112.363 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -67.83 -30.08 69.39 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 124.485 1.114 . . . . 94.579999999999998 112.077 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -73.95 -40.7 62.86 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.759 -0.83 . . . . 85.120000000000005 108.759 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.2 tpp -59.34 -44.28 92.65 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.386 1.475 . . . . 110.47 109.021 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -60.13 -48.29 82.34 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.685 1.594 . . . . 107.23 110.206 177.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.19 -44.59 94.95 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.71 0.804 . . . . 78.189999999999998 112.279 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -55.74 -40.8 73.03 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 123.294 0.638 . . . . 120.34 110.715 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -69.65 -45.15 69.07 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.038 1.335 . . . . 139.86000000000001 111.218 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -59.95 -45.88 91.22 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.038 0.835 . . . . 122.43000000000001 110.938 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -58.27 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 124.224 1.01 . . . . 79.560000000000002 111.289 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -60.46 -47.37 86.42 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 118.64 -0.695 . . . . 113.52 111.356 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.494 1.118 . . . . 82.510000000000005 112.249 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.03 -47.97 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.149 0.98 . . . . 78.840000000000003 109.607 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -50.3 -48.61 55.05 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.088 0.955 . . . . 135.81 109.485 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.97 -19.26 52.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.747 -1.12 . . . . 134.06999999999999 112.535 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.36 -38.4 68.56 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.897 1.226 . . . . 94.819999999999993 108.827 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -72.26 -31.25 65.61 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.543 1.537 . . . . 97.079999999999998 112.522 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -72.82 -40.39 65.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.993 0.917 . . . . 150.13999999999999 108.996 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.88 -56.17 19.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.53 1.932 . . . . 162.33000000000001 110.538 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.92 -16.49 59.35 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.257 1.423 . . . . 141.09999999999999 113.773 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.97 29.71 2.04 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.122 0.969 . . . . 130.90000000000001 111.685 178.849 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -123.17 134.18 54.19 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.081 0.952 . . . . 169.80000000000001 111.93 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 129.311 3.045 . . . . 164.12 115.817 177.677 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1074 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1075 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1076 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1077 ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1078 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1079 ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . 0.532 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 CA--C 1.574 1.873 0 CA-C-O 119.42 -0.324 . . . . 117.5 111.318 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -126.06 124.58 40.94 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 113.005 0.743 . . . . 102.97 113.005 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 p -64.21 165.94 8.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.435 1.494 . . . . 91.670000000000002 112.831 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -44.04 77.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.764 0.826 . . . . 122.78 109.98 177.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -66.93 -50.56 61.99 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.186 1.394 . . . . 86.260000000000005 112.665 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -54.3 -49.91 68.56 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.367 0.667 . . . . 77.719999999999999 110.71 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -58.38 -48.51 80.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.108 0.963 . . . . 83.170000000000002 111.039 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.81 -39.85 90.5 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.047 0.939 . . . . 81.430000000000007 111.168 -179.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -78.85 -33.94 45.51 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 118.855 -0.593 . . . . 98.819999999999993 112.045 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.03 -42.44 76.36 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.467 -0.938 . . . . 72.280000000000001 108.467 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.8 -43.78 97.9 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 124.722 1.209 . . . . 97.159999999999997 112.731 176.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -57.09 -53.6 56.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.059 1.344 . . . . 113.23999999999999 107.416 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.7 -45.96 90.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.349 1.06 . . . . 85.450000000000003 111.481 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -55.38 -43.72 75.41 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 123.448 0.699 . . . . 74.959999999999994 112.024 -179.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.12 -32.82 72.47 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.562 -0.732 . . . . 88.319999999999993 111.782 -178.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 m -65.46 -44.46 87.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.909 0.884 . . . . 74.689999999999998 110.699 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -157.14 122.06 4.5 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.328 1.851 . . . . 85.829999999999998 112.551 -179.457 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -70.74 -26.69 63.49 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 112.082 0.401 . . . . 74.680000000000007 112.082 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -113.34 137.13 51.96 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.887 0.475 . . . . 82.780000000000001 110.527 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -110.79 153.65 25.05 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 123.299 0.375 . . . . 73.150000000000006 110.842 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -87.39 162.98 17.02 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 105.602 -1.999 . . . . 74.870000000000005 105.602 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -58.1 -43.16 86.94 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.336 -0.84 . . . . 125.5 108.804 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -56.45 -49.43 74.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.45 0.7 . . . . 118.39 110.491 178.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -60.46 -44.39 95.92 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.844 -1.074 . . . . 88.099999999999994 113.214 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -55.86 -40.67 73.25 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 123.667 0.787 . . . . 134.12 109.691 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.4 -54.01 40.86 Favored 'Isoleucine or valine' 0 C--N 1.369 1.426 0 C-N-CA 124.811 1.245 . . . . 75.019999999999996 108.83 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -49.72 -51.02 41.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.763 1.225 . . . . 119.38 110.944 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm -57.78 -46.48 84.53 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 127.146 2.178 . . . . 86.629999999999995 109.862 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.94 -49.18 74.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.735 1.214 . . . . 74.459999999999994 112.153 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -71.83 -35.63 69.97 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.91 0.884 . . . . 80.269999999999996 112.604 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.8 63.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 113.119 0.785 . . . . 79.989999999999995 113.119 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.85 -2.82 55.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.037 1.335 . . . . 74.109999999999999 113.103 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' 2004 ' ' HOH . 79.0 m 54.19 49.2 19.2 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.18 0.992 . . . . 75.359999999999999 112.076 -179.095 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.73 146.45 50.22 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.485 2.714 . . . . 73.959999999999994 105.216 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -70.74 166.03 21.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 119.266 -0.973 . . . . 74.180000000000007 111.601 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.88 -43.01 69.26 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.138 1.375 . . . . 114.81 108.394 174.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -63.68 -45.92 87.9 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.299 1.44 . . . . 142.97 111.64 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -60.58 -37.04 80.02 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 123.389 0.676 . . . . 93.670000000000002 111.207 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.58 -44.7 60.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 123.738 0.815 . . . . 76.200000000000003 110.783 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.45 -45.25 88.94 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.334 1.453 . . . . 121.11 111.925 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.45 -48.75 76.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.191 0 C-N-CA 126.503 1.921 . . . . 87.939999999999998 109.519 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -52.8 -49.86 64.77 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.461 0.476 . . . . 77.590000000000003 110.432 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.74 -34.62 77.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 124.997 1.319 . . . . 78.540000000000006 113.548 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -69.97 -47.05 63.79 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.487 -0.931 . . . . 116.18000000000001 108.487 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -62.96 -40.26 97.17 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.907 0.883 . . . . 98.019999999999996 112.363 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -67.83 -30.08 69.39 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 124.485 1.114 . . . . 94.579999999999998 112.077 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -73.95 -40.7 62.86 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.759 -0.83 . . . . 85.120000000000005 108.759 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.2 tpp -59.34 -44.28 92.65 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.386 1.475 . . . . 110.47 109.021 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -60.13 -48.29 82.34 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.685 1.594 . . . . 107.23 110.206 177.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.19 -44.59 94.95 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.71 0.804 . . . . 78.189999999999998 112.279 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -55.74 -40.8 73.03 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 123.294 0.638 . . . . 120.34 110.715 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -69.65 -45.15 69.07 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.038 1.335 . . . . 139.86000000000001 111.218 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -59.95 -45.88 91.22 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.038 0.835 . . . . 122.43000000000001 110.938 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -58.27 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 124.224 1.01 . . . . 79.560000000000002 111.289 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -60.46 -47.37 86.42 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 118.64 -0.695 . . . . 113.52 111.356 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.494 1.118 . . . . 82.510000000000005 112.249 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.03 -47.97 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.149 0.98 . . . . 78.840000000000003 109.607 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -50.3 -48.61 55.05 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.088 0.955 . . . . 135.81 109.485 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.97 -19.26 52.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.747 -1.12 . . . . 134.06999999999999 112.535 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.36 -38.4 68.56 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.897 1.226 . . . . 94.819999999999993 108.827 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -72.26 -31.25 65.61 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.543 1.537 . . . . 97.079999999999998 112.522 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -72.82 -40.39 65.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.993 0.917 . . . . 150.13999999999999 108.996 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.88 -56.17 19.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.53 1.932 . . . . 162.33000000000001 110.538 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.92 -16.49 59.35 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.257 1.423 . . . . 141.09999999999999 113.773 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.97 29.71 2.04 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.122 0.969 . . . . 130.90000000000001 111.685 178.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -123.17 134.18 54.19 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.081 0.952 . . . . 169.80000000000001 111.93 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 129.311 3.045 . . . . 164.12 115.817 177.677 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1074 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1075 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1076 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1077 ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1078 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1079 ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . 0.532 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 CA--C 1.574 1.873 0 CA-C-O 119.42 -0.324 . . . . 117.5 111.318 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -126.06 124.58 40.94 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 113.005 0.743 . . . . 102.97 113.005 -179.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 p -64.21 165.94 8.65 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 125.435 1.494 . . . . 91.670000000000002 112.831 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.91 -44.04 77.9 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 123.764 0.826 . . . . 122.78 109.98 177.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -66.93 -50.56 61.99 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 125.186 1.394 . . . . 86.260000000000005 112.665 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -54.3 -49.91 68.56 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.367 0.667 . . . . 77.719999999999999 110.71 178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.7 m -58.38 -48.51 80.39 Favored 'General case' 0 C--N 1.353 0.726 0 C-N-CA 124.108 0.963 . . . . 83.170000000000002 111.039 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.81 -39.85 90.5 Favored 'General case' 0 C--N 1.349 0.567 0 C-N-CA 124.047 0.939 . . . . 81.430000000000007 111.168 -179.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -78.85 -33.94 45.51 Favored 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 118.855 -0.593 . . . . 98.819999999999993 112.045 -176.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -69.03 -42.44 76.36 Favored 'General case' 0 C--O 1.223 -0.342 0 N-CA-C 108.467 -0.938 . . . . 72.280000000000001 108.467 178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -62.8 -43.78 97.9 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 124.722 1.209 . . . . 97.159999999999997 112.731 176.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -57.09 -53.6 56.25 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 125.059 1.344 . . . . 113.23999999999999 107.416 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -59.7 -45.96 90.52 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.349 1.06 . . . . 85.450000000000003 111.481 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' O ' ' HD2' ' A' ' 24' ' ' HIS . 91.8 t80 -55.38 -43.72 75.41 Favored 'General case' 0 C--N 1.359 0.987 0 C-N-CA 123.448 0.699 . . . . 74.959999999999994 112.024 -179.28 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -69.12 -32.82 72.47 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 118.562 -0.732 . . . . 88.319999999999993 111.782 -178.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.2 m -65.46 -44.46 87.16 Favored 'General case' 0 CA--C 1.555 1.149 0 C-N-CA 123.909 0.884 . . . . 74.689999999999998 110.699 174.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -157.14 122.06 4.5 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.328 1.851 . . . . 85.829999999999998 112.551 -179.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.4 ' HD2' ' O ' ' A' ' 20' ' ' PHE . 38.9 m170 -70.74 -26.69 63.49 Favored 'General case' 0 C--N 1.35 0.606 0 N-CA-C 112.082 0.401 . . . . 74.680000000000007 112.082 179.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -113.34 137.13 51.96 Favored 'General case' 0 CA--C 1.511 -0.533 0 C-N-CA 122.887 0.475 . . . . 82.780000000000001 110.527 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.9 mt -110.79 153.65 25.05 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 123.299 0.375 . . . . 73.150000000000006 110.842 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 72.7 p -87.39 162.98 17.02 Favored 'General case' 0 C--N 1.351 0.658 0 N-CA-C 105.602 -1.999 . . . . 74.870000000000005 105.602 174.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -58.1 -43.16 86.94 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-O 118.336 -0.84 . . . . 125.5 108.804 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -56.45 -49.43 74.62 Favored 'General case' 0 C--N 1.364 1.219 0 C-N-CA 123.45 0.7 . . . . 118.39 110.491 178.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -60.46 -44.39 95.92 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 117.844 -1.074 . . . . 88.099999999999994 113.214 177.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -55.86 -40.67 73.25 Favored 'General case' 0 C--N 1.359 0.989 0 C-N-CA 123.667 0.787 . . . . 134.12 109.691 177.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mm -61.4 -54.01 40.86 Favored 'Isoleucine or valine' 0 C--N 1.369 1.426 0 C-N-CA 124.811 1.245 . . . . 75.019999999999996 108.83 177.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -49.72 -51.02 41.64 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 124.763 1.225 . . . . 119.38 110.944 179.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 97.1 mmm -57.78 -46.48 84.53 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 127.146 2.178 . . . . 86.629999999999995 109.862 177.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.94 -49.18 74.24 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 124.735 1.214 . . . . 74.459999999999994 112.153 -179.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 67.4 m-70 -71.83 -35.63 69.97 Favored 'General case' 0 C--N 1.343 0.288 0 C-N-CA 123.91 0.884 . . . . 80.269999999999996 112.604 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.29 -46.8 63.57 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 113.119 0.785 . . . . 79.989999999999995 113.119 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -92.85 -2.82 55.56 Favored 'General case' 0 C--O 1.237 0.413 0 C-N-CA 125.037 1.335 . . . . 74.109999999999999 113.103 -177.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' ' O ' ' A' 2004 ' ' HOH . 79.0 m 54.19 49.2 19.2 Favored 'General case' 0 CA--C 1.559 1.297 0 C-N-CA 124.18 0.992 . . . . 75.359999999999999 112.076 -179.095 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -126.73 146.45 50.22 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 128.485 2.714 . . . . 73.959999999999994 105.216 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 30.6 p -70.74 166.03 21.78 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 119.266 -0.973 . . . . 74.180000000000007 111.601 177.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -53.88 -43.01 69.26 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.138 1.375 . . . . 114.81 108.394 174.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 11.6 ttt180 -63.68 -45.92 87.9 Favored 'General case' 0 C--N 1.359 1.017 0 C-N-CA 125.299 1.44 . . . . 142.97 111.64 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -60.58 -37.04 80.02 Favored 'General case' 0 C--N 1.348 0.515 0 C-N-CA 123.389 0.676 . . . . 93.670000000000002 111.207 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 mt -72.58 -44.7 60.46 Favored 'Isoleucine or valine' 0 C--N 1.349 0.56 0 C-N-CA 123.738 0.815 . . . . 76.200000000000003 110.783 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.45 -45.25 88.94 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 125.334 1.453 . . . . 121.11 111.925 -178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 39.1 mt -67.45 -48.75 76.25 Favored 'Isoleucine or valine' 0 C--N 1.363 1.191 0 C-N-CA 126.503 1.921 . . . . 87.939999999999998 109.519 179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -52.8 -49.86 64.77 Favored 'General case' 0 C--N 1.356 0.873 0 O-C-N 123.461 0.476 . . . . 77.590000000000003 110.432 -179.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -62.74 -34.62 77.56 Favored 'General case' 0 C--N 1.351 0.631 0 C-N-CA 124.997 1.319 . . . . 78.540000000000006 113.548 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -69.97 -47.05 63.79 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 108.487 -0.931 . . . . 116.18000000000001 108.487 177.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -62.96 -40.26 97.17 Favored 'General case' 0 C--N 1.356 0.873 0 C-N-CA 123.907 0.883 . . . . 98.019999999999996 112.363 178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -67.83 -30.08 69.39 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 124.485 1.114 . . . . 94.579999999999998 112.077 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.2 mtt180 -73.95 -40.7 62.86 Favored 'General case' 0 C--N 1.347 0.48 0 N-CA-C 108.759 -0.83 . . . . 85.120000000000005 108.759 175.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 11.2 tpp -59.34 -44.28 92.65 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 125.386 1.475 . . . . 110.47 109.021 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -60.13 -48.29 82.34 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 125.685 1.594 . . . . 107.23 110.206 177.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 22.3 tp -63.19 -44.59 94.95 Favored 'General case' 0 C--N 1.345 0.387 0 C-N-CA 123.71 0.804 . . . . 78.189999999999998 112.279 178.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -55.74 -40.8 73.03 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 123.294 0.638 . . . . 120.34 110.715 -179.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -69.65 -45.15 69.07 Favored 'General case' 0 C--N 1.355 0.839 0 C-N-CA 125.038 1.335 . . . . 139.86000000000001 111.218 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -59.95 -45.88 91.22 Favored 'General case' 0 C--N 1.373 1.612 0 CA-C-N 119.038 0.835 . . . . 122.43000000000001 110.938 178.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 11.2 mt -58.27 -49.5 81.63 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 124.224 1.01 . . . . 79.560000000000002 111.289 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -60.46 -47.37 86.42 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 118.64 -0.695 . . . . 113.52 111.356 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.84 -47.27 67.84 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.494 1.118 . . . . 82.510000000000005 112.249 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.4 mt -67.03 -47.97 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 124.149 0.98 . . . . 78.840000000000003 109.607 178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 41.8 tttm -50.3 -48.61 55.05 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.088 0.955 . . . . 135.81 109.485 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -78.97 -19.26 52.09 Favored 'General case' 0 C--N 1.358 0.951 0 CA-C-O 117.747 -1.12 . . . . 134.06999999999999 112.535 -179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.36 -38.4 68.56 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 119.897 1.226 . . . . 94.819999999999993 108.827 174.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -72.26 -31.25 65.61 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 125.543 1.537 . . . . 97.079999999999998 112.522 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -72.82 -40.39 65.83 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.993 0.917 . . . . 150.13999999999999 108.996 176.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.6 tt0 -62.88 -56.17 19.67 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 126.53 1.932 . . . . 162.33000000000001 110.538 177.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.92 -16.49 59.35 Favored 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.257 1.423 . . . . 141.09999999999999 113.773 -179.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.97 29.71 2.04 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 124.122 0.969 . . . . 130.90000000000001 111.685 178.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -123.17 134.18 54.19 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 124.081 0.952 . . . . 169.80000000000001 111.93 179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 129.311 3.045 . . . . 164.12 115.817 177.677 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1074 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1075 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1076 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1077 ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1078 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1079 ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . 0.532 ' O ' ' SG ' ' A' ' 39' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_