data_1unw_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 1unw _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 ' 1' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 . . . . . 0 C--O 1.18 -2.571 0 CA-C-O 119.269 -0.396 . . . . 125.58 110.914 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mmm -85.75 -18.78 32.05 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 113.993 1.108 . . . . 105.36 113.993 167.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 pptp? -80.91 -41.04 23.64 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 114.097 -1.411 . . . . 99.340000000000003 109.676 175.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -58.0 -28.04 64.06 Favored 'General case' 0 CA--C 1.597 2.762 0 C-N-CA 119.904 -0.718 . . . . 99.579999999999998 112.744 173.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.8 mt -76.81 -52.15 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 123.719 0.808 . . . . 71.939999999999998 109.546 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -54.15 -36.75 63.66 Favored 'General case' 1 C--O 1.32 4.772 0 N-CA-C 115.393 1.627 . . . . 104.73 115.393 171.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -62.28 -44.36 96.72 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 125.448 1.717 . . . . 63.659999999999997 113.101 170.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -61.93 -43.95 97.78 Favored 'General case' 0 C--O 1.192 -1.946 0 CA-C-N 115.19 -0.914 . . . . 80.849999999999994 109.428 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.01 -39.35 91.96 Favored 'General case' 0 N--CA 1.394 -3.273 0 CA-C-O 123.898 1.809 . . . . 53.289999999999999 111.416 -176.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.23 -33.49 75.46 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-O 123.566 1.65 . . . . 77.680000000000007 111.548 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.48 -42.5 74.74 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 119.057 -2.277 . . . . 57.689999999999998 113.072 172.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.47 -46.79 82.31 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.782 0 CA-C-O 122.406 1.098 . . . . 48.850000000000001 112.755 172.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 119.292 -2.13 . . . . 57.75 112.71 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -61.99 -40.19 94.79 Favored 'General case' 1 C--O 1.119 -5.816 0 O-C-N 119.865 -1.772 . . . . 64.620000000000005 111.799 178.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -59.76 -43.75 94.15 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-O 123.01 1.386 . . . . 63.57 110.404 175.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.21 -35.7 81.67 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.224 -1.548 . . . . 41.969999999999999 110.99 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CE1' ' NZ ' ' B' ' 15' ' ' LYS . 39.4 m-85 -64.91 -40.37 94.97 Favored 'General case' 0 CA--C 1.487 -1.477 0 O-C-N 120.492 -1.38 . . . . 54.549999999999997 109.693 174.961 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -66.12 -39.0 89.58 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 115.323 1.601 . . . . 71.75 115.323 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.55 -39.08 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.941 0 CA-C-N 115.444 -0.798 . . . . 47.57 112.409 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' B' ' 18' ' ' HIS . 1.3 tt0 -63.04 -44.89 94.64 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 124.49 1.116 . . . . 71.5 110.516 179.25 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.92 -35.04 79.88 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 112.816 0.673 . . . . 74.730000000000004 112.816 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -60.57 -37.49 81.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.531 -0.867 . . . . 69.950000000000003 112.442 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.42 -28.93 62.72 Favored Glycine 1 C--O 1.151 -5.048 0 CA-C-O 117.916 -1.491 . . . . 64.170000000000002 110.121 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -50.97 70.03 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 118.574 1.187 . . . . 72.299999999999997 109.002 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -59.65 -47.73 84.48 Favored 'General case' 0 C--O 1.189 -2.117 0 N-CA-C 112.141 0.423 . . . . 106.93000000000001 112.141 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.6 mt -50.6 -42.5 22.11 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.533 0 N-CA-C 114.975 1.472 . . . . 73.019999999999996 114.975 171.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -65.72 -50.79 63.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 115.646 -2.121 . . . . 88.189999999999998 114.088 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -54.69 -59.05 5.24 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.78 2.141 . . . . 95.900000000000006 116.78 169.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.2 mt -46.66 -29.88 2.07 Favored 'General case' 0 C--O 1.197 -1.666 0 O-C-N 120.239 -1.538 . . . . 92.209999999999994 114.611 168.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 14.4 tp -95.72 -68.59 0.79 Allowed 'General case' 0 C--O 1.168 -3.235 0 O-C-N 119.639 -1.913 . . . . 96.569999999999993 107.946 -173.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.33 -84.59 1.75 Allowed Glycine 0 CA--C 1.48 -2.142 1 CA-C-O 113.03 -4.206 . . . . 100.14 104.743 -177.434 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.214 0 O-C-N 128.203 2.943 . . . . 96.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 17.1 ttt180 . . . . . 0 N--CA 1.526 3.366 0 N-CA-C 114.025 1.12 . . . . 131.19999999999999 114.025 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 32.1 mtm -63.59 -35.11 79.42 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.962 -1.017 . . . . 130.19999999999999 110.215 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -18.98 55.1 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.479 0.657 . . . . 112.89 111.901 -174.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -72.98 -41.47 64.33 Favored 'General case' 0 CA--C 1.62 3.641 0 CA-C-N 114.799 -1.091 . . . . 104.41 113.522 170.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mt -60.85 -34.72 60.47 Favored 'Isoleucine or valine' 1 C--O 1.147 -4.337 0 C-N-CA 124.213 1.005 . . . . 87.310000000000002 111.959 171.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -33.97 60.53 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 124.287 1.035 . . . . 100.19 110.242 -172.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.65 -40.8 88.9 Favored 'General case' 0 C--O 1.179 -2.634 0 N-CA-C 112.533 0.568 . . . . 84.040000000000006 112.533 171.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -69.3 -45.53 69.37 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 115.097 -0.956 . . . . 80.599999999999994 111.734 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.6 mt -54.73 -42.73 71.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 125.379 1.674 . . . . 58.170000000000002 112.193 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.91 -37.38 64.66 Favored 'General case' 1 CA--C 1.413 -4.309 0 C-N-CA 124.333 1.053 . . . . 92.079999999999998 110.966 -179.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -67.15 -40.97 86.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.302 -1.37 . . . . 77.209999999999994 107.302 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.0 mt -62.84 -40.24 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.663 0 CA-C-O 122.777 1.275 . . . . 44.68 112.9 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . 1.588 ' CD1' ' CG ' ' B' ' 13' ' ' LEU . 15.2 mt -61.59 -42.57 99.04 Favored 'General case' 0 CA--C 1.436 -3.436 0 N-CA-C 115.378 1.622 . . . . 58.229999999999997 115.378 173.565 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 17.1 m -59.39 -46.23 89.26 Favored 'General case' 0 CA--C 1.465 -2.307 0 CA-C-O 122.253 1.025 . . . . 66.939999999999998 112.162 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . 0.678 ' NZ ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 tptt -65.62 -35.61 81.3 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 107.864 -1.161 . . . . 67.010000000000005 107.864 -176.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.57 -39.45 91.67 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-N 119.205 0.911 . . . . 41.590000000000003 111.968 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -58.65 -48.56 80.63 Favored 'General case' 0 C--O 1.189 -2.106 0 O-C-N 121.297 -0.877 . . . . 53.899999999999999 110.308 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . 0.427 ' CD2' ' OE1' ' A' ' 20' ' ' GLU . 81.2 t60 -54.99 -41.92 71.84 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 122.766 1.27 . . . . 68.760000000000005 112.919 177.852 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 83.5 mt -72.53 -40.46 63.15 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 O-C-N 120.856 -1.152 . . . . 47.869999999999997 112.167 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.62 -39.7 85.14 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 113.51 -1.677 . . . . 71.019999999999996 108.818 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -70.55 -33.97 71.72 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 120.332 -1.48 . . . . 52.359999999999999 112.929 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.88 -42.68 80.86 Favored 'General case' 0 C--O 1.161 -3.555 0 N-CA-C 106.385 -1.709 . . . . 84.659999999999997 106.385 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -34.95 88.5 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-O 123.782 1.768 . . . . 52.420000000000002 114.398 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.34 65.8 Favored 'General case' 0 CA--C 1.456 -2.647 0 O-C-N 119.07 -2.429 . . . . 52.039999999999999 113.202 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -53.07 -55.6 22.64 Favored 'General case' 0 C--O 1.187 -2.201 0 N-CA-C 115.695 1.739 . . . . 103.01000000000001 115.695 167.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.43 -45.8 81.89 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.512 0 CA-C-N 114.676 -1.147 . . . . 72.400000000000006 107.907 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -58.4 -52.46 65.53 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 119.366 0.985 . . . . 89.569999999999993 113.307 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -58.85 -40.83 85.43 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 125.298 1.439 . . . . 103.0 112.525 175.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -70.74 0.1 Allowed 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 112.872 0.693 . . . . 99.549999999999997 112.872 172.233 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 97.1 mt -43.55 -41.63 4.59 Favored 'General case' 0 N--CA 1.404 -2.743 0 N-CA-C 113.627 0.973 . . . . 94.060000000000002 113.627 175.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.67 62.9 4.54 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-N 121.235 1.834 . . . . 102.08 114.575 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.521 2 O-C-N 109.988 -7.771 . . . . 97.579999999999998 . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 . . . . . 0 C--O 1.18 -2.571 0 CA-C-O 119.269 -0.396 . . . . 125.58 110.914 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mmm -85.75 -18.78 32.05 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 113.993 1.108 . . . . 105.36 113.993 167.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 4' ' ' GLN . 1.7 pptp? -80.91 -41.04 23.64 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 114.097 -1.411 . . . . 99.340000000000003 109.676 175.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -58.0 -28.04 64.06 Favored 'General case' 0 CA--C 1.597 2.762 0 C-N-CA 119.904 -0.718 . . . . 99.579999999999998 112.744 173.473 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.8 mt -76.81 -52.15 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 123.719 0.808 . . . . 71.939999999999998 109.546 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -54.15 -36.75 63.66 Favored 'General case' 1 C--O 1.32 4.772 0 N-CA-C 115.393 1.627 . . . . 104.73 115.393 171.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -62.28 -44.36 96.72 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 125.448 1.717 . . . . 63.659999999999997 113.101 170.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -61.93 -43.95 97.78 Favored 'General case' 0 C--O 1.192 -1.946 0 CA-C-N 115.19 -0.914 . . . . 80.849999999999994 109.428 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.01 -39.35 91.96 Favored 'General case' 0 N--CA 1.394 -3.273 0 CA-C-O 123.898 1.809 . . . . 53.289999999999999 111.416 -176.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.23 -33.49 75.46 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-O 123.566 1.65 . . . . 77.680000000000007 111.548 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.48 -42.5 74.74 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 119.057 -2.277 . . . . 57.689999999999998 113.072 172.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.47 -46.79 82.31 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.782 0 CA-C-O 122.406 1.098 . . . . 48.850000000000001 112.755 172.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 119.292 -2.13 . . . . 57.75 112.71 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -61.99 -40.19 94.79 Favored 'General case' 1 C--O 1.119 -5.816 0 O-C-N 119.865 -1.772 . . . . 64.620000000000005 111.799 178.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -59.76 -43.75 94.15 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-O 123.01 1.386 . . . . 63.57 110.404 175.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.21 -35.7 81.67 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.224 -1.548 . . . . 41.969999999999999 110.99 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CE1' ' NZ ' ' B' ' 15' ' ' LYS . 39.4 m-85 -64.91 -40.37 94.97 Favored 'General case' 0 CA--C 1.487 -1.477 0 O-C-N 120.492 -1.38 . . . . 54.549999999999997 109.693 174.961 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -66.12 -39.0 89.58 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 115.323 1.601 . . . . 71.75 115.323 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.55 -39.08 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.941 0 CA-C-N 115.444 -0.798 . . . . 47.57 112.409 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -63.04 -44.89 94.64 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 124.49 1.116 . . . . 71.5 110.516 179.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.92 -35.04 79.88 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 112.816 0.673 . . . . 74.730000000000004 112.816 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -60.57 -37.49 81.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.531 -0.867 . . . . 69.950000000000003 112.442 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.42 -28.93 62.72 Favored Glycine 1 C--O 1.151 -5.048 0 CA-C-O 117.916 -1.491 . . . . 64.170000000000002 110.121 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -50.97 70.03 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 118.574 1.187 . . . . 72.299999999999997 109.002 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -59.65 -47.73 84.48 Favored 'General case' 0 C--O 1.189 -2.117 0 N-CA-C 112.141 0.423 . . . . 106.93000000000001 112.141 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.6 mt -50.6 -42.5 22.11 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.533 0 N-CA-C 114.975 1.472 . . . . 73.019999999999996 114.975 171.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -65.72 -50.79 63.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 115.646 -2.121 . . . . 88.189999999999998 114.088 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -54.69 -59.05 5.24 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.78 2.141 . . . . 95.900000000000006 116.78 169.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.2 mt -46.66 -29.88 2.07 Favored 'General case' 0 C--O 1.197 -1.666 0 O-C-N 120.239 -1.538 . . . . 92.209999999999994 114.611 168.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.625 HD11 HD21 ' B' ' 30' ' ' LEU . 14.4 tp -95.72 -68.59 0.79 Allowed 'General case' 0 C--O 1.168 -3.235 0 O-C-N 119.639 -1.913 . . . . 96.569999999999993 107.946 -173.569 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.33 -84.59 1.75 Allowed Glycine 0 CA--C 1.48 -2.142 1 CA-C-O 113.03 -4.206 . . . . 100.14 104.743 -177.434 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.214 0 O-C-N 128.203 2.943 . . . . 96.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 0.41 ' HA ' ' CD ' ' B' ' 4' ' ' GLN . 17.1 ttt180 . . . . . 0 N--CA 1.526 3.366 0 N-CA-C 114.025 1.12 . . . . 131.19999999999999 114.025 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 32.1 mtm -63.59 -35.11 79.42 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.962 -1.017 . . . . 130.19999999999999 110.215 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -18.98 55.1 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.479 0.657 . . . . 112.89 111.901 -174.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.41 ' CD ' ' HA ' ' B' ' 1' ' ' ARG . 14.2 mt-30 -72.98 -41.47 64.33 Favored 'General case' 0 CA--C 1.62 3.641 0 CA-C-N 114.799 -1.091 . . . . 104.41 113.522 170.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mt -60.85 -34.72 60.47 Favored 'Isoleucine or valine' 1 C--O 1.147 -4.337 0 C-N-CA 124.213 1.005 . . . . 87.310000000000002 111.959 171.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -33.97 60.53 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 124.287 1.035 . . . . 100.19 110.242 -172.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.65 -40.8 88.9 Favored 'General case' 0 C--O 1.179 -2.634 0 N-CA-C 112.533 0.568 . . . . 84.040000000000006 112.533 171.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -69.3 -45.53 69.37 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 115.097 -0.956 . . . . 80.599999999999994 111.734 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.6 mt -54.73 -42.73 71.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 125.379 1.674 . . . . 58.170000000000002 112.193 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.91 -37.38 64.66 Favored 'General case' 1 CA--C 1.413 -4.309 0 C-N-CA 124.333 1.053 . . . . 92.079999999999998 110.966 -179.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -67.15 -40.97 86.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.302 -1.37 . . . . 77.209999999999994 107.302 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.0 mt -62.84 -40.24 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.663 0 CA-C-O 122.777 1.275 . . . . 44.68 112.9 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . 1.588 ' CD1' ' CG ' ' B' ' 13' ' ' LEU . 15.2 mt -61.59 -42.57 99.04 Favored 'General case' 0 CA--C 1.436 -3.436 0 N-CA-C 115.378 1.622 . . . . 58.229999999999997 115.378 173.565 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 17.1 m -59.39 -46.23 89.26 Favored 'General case' 0 CA--C 1.465 -2.307 0 CA-C-O 122.253 1.025 . . . . 66.939999999999998 112.162 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.678 ' NZ ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 tptt -65.62 -35.61 81.3 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 107.864 -1.161 . . . . 67.010000000000005 107.864 -176.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.57 -39.45 91.67 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-N 119.205 0.911 . . . . 41.590000000000003 111.968 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -58.65 -48.56 80.63 Favored 'General case' 0 C--O 1.189 -2.106 0 O-C-N 121.297 -0.877 . . . . 53.899999999999999 110.308 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -54.99 -41.92 71.84 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 122.766 1.27 . . . . 68.760000000000005 112.919 177.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 83.5 mt -72.53 -40.46 63.15 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 O-C-N 120.856 -1.152 . . . . 47.869999999999997 112.167 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.62 -39.7 85.14 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 113.51 -1.677 . . . . 71.019999999999996 108.818 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -70.55 -33.97 71.72 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 120.332 -1.48 . . . . 52.359999999999999 112.929 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.88 -42.68 80.86 Favored 'General case' 0 C--O 1.161 -3.555 0 N-CA-C 106.385 -1.709 . . . . 84.659999999999997 106.385 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -34.95 88.5 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-O 123.782 1.768 . . . . 52.420000000000002 114.398 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.34 65.8 Favored 'General case' 0 CA--C 1.456 -2.647 0 O-C-N 119.07 -2.429 . . . . 52.039999999999999 113.202 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -53.07 -55.6 22.64 Favored 'General case' 0 C--O 1.187 -2.201 0 N-CA-C 115.695 1.739 . . . . 103.01000000000001 115.695 167.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.43 -45.8 81.89 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.512 0 CA-C-N 114.676 -1.147 . . . . 72.400000000000006 107.907 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -58.4 -52.46 65.53 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 119.366 0.985 . . . . 89.569999999999993 113.307 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -58.85 -40.83 85.43 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 125.298 1.439 . . . . 103.0 112.525 175.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -70.74 0.1 Allowed 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 112.872 0.693 . . . . 99.549999999999997 112.872 172.233 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . 0.625 HD21 HD11 ' A' ' 30' ' ' LEU . 97.1 mt -43.55 -41.63 4.59 Favored 'General case' 0 N--CA 1.404 -2.743 0 N-CA-C 113.627 0.973 . . . . 94.060000000000002 113.627 175.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.67 62.9 4.54 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-N 121.235 1.834 . . . . 102.08 114.575 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.521 2 O-C-N 109.988 -7.771 . . . . 97.579999999999998 . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 40.5 mmm-85 . . . . . 0 C--O 1.18 -2.571 0 CA-C-O 119.269 -0.396 . . . . 125.58 110.914 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 mmm -85.75 -18.78 32.05 Favored 'General case' 0 C--O 1.262 1.721 0 N-CA-C 113.993 1.108 . . . . 105.36 113.993 167.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 4' ' ' GLN . 1.7 pptp? -80.91 -41.04 23.64 Favored 'General case' 0 C--O 1.208 -1.126 0 CA-C-N 114.097 -1.411 . . . . 99.340000000000003 109.676 175.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.493 ' N ' ' HD2' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -58.0 -28.04 64.06 Favored 'General case' 0 CA--C 1.597 2.762 0 C-N-CA 119.904 -0.718 . . . . 99.579999999999998 112.744 173.473 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 86.8 mt -76.81 -52.15 17.56 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.18 0 C-N-CA 123.719 0.808 . . . . 71.939999999999998 109.546 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -54.15 -36.75 63.66 Favored 'General case' 1 C--O 1.32 4.772 0 N-CA-C 115.393 1.627 . . . . 104.73 115.393 171.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -62.28 -44.36 96.72 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 125.448 1.717 . . . . 63.659999999999997 113.101 170.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -61.93 -43.95 97.78 Favored 'General case' 0 C--O 1.192 -1.946 0 CA-C-N 115.19 -0.914 . . . . 80.849999999999994 109.428 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.01 -39.35 91.96 Favored 'General case' 0 N--CA 1.394 -3.273 0 CA-C-O 123.898 1.809 . . . . 53.289999999999999 111.416 -176.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -67.23 -33.49 75.46 Favored 'General case' 0 N--CA 1.412 -2.329 0 CA-C-O 123.566 1.65 . . . . 77.680000000000007 111.548 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -69.48 -42.5 74.74 Favored 'General case' 0 C--N 1.274 -2.7 0 O-C-N 119.057 -2.277 . . . . 57.689999999999998 113.072 172.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 59.8 mt -56.47 -46.79 82.31 Favored 'Isoleucine or valine' 0 CA--C 1.453 -2.782 0 CA-C-O 122.406 1.098 . . . . 48.850000000000001 112.755 172.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.31 -40.53 94.53 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 119.292 -2.13 . . . . 57.75 112.71 -179.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.6 m -61.99 -40.19 94.79 Favored 'General case' 1 C--O 1.119 -5.816 0 O-C-N 119.865 -1.772 . . . . 64.620000000000005 111.799 178.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -59.76 -43.75 94.15 Favored 'General case' 0 C--O 1.277 2.524 0 CA-C-O 123.01 1.386 . . . . 63.57 110.404 175.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.4 mt -64.21 -35.7 81.67 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 120.224 -1.548 . . . . 41.969999999999999 110.99 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.678 ' CE1' ' NZ ' ' B' ' 15' ' ' LYS . 39.4 m-85 -64.91 -40.37 94.97 Favored 'General case' 0 CA--C 1.487 -1.477 0 O-C-N 120.492 -1.38 . . . . 54.549999999999997 109.693 174.961 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -66.12 -39.0 89.58 Favored 'General case' 0 N--CA 1.424 -1.753 0 N-CA-C 115.323 1.601 . . . . 71.75 115.323 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 73.6 mt -61.55 -39.08 81.78 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.941 0 CA-C-N 115.444 -0.798 . . . . 47.57 112.409 174.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.427 ' OE1' ' CD2' ' B' ' 18' ' ' HIS . 1.3 tt0 -63.04 -44.89 94.64 Favored 'General case' 0 N--CA 1.434 -1.27 0 C-N-CA 124.49 1.116 . . . . 71.5 110.516 179.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -64.92 -35.04 79.88 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 112.816 0.673 . . . . 74.730000000000004 112.816 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -60.57 -37.49 81.48 Favored 'General case' 0 N--CA 1.418 -2.065 0 C-N-CA 119.531 -0.867 . . . . 69.950000000000003 112.442 175.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -74.42 -28.93 62.72 Favored Glycine 1 C--O 1.151 -5.048 0 CA-C-O 117.916 -1.491 . . . . 64.170000000000002 110.121 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -50.97 70.03 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-N 118.574 1.187 . . . . 72.299999999999997 109.002 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.6 mtt-85 -59.65 -47.73 84.48 Favored 'General case' 0 C--O 1.189 -2.117 0 N-CA-C 112.141 0.423 . . . . 106.93000000000001 112.141 178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.6 mt -50.6 -42.5 22.11 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.533 0 N-CA-C 114.975 1.472 . . . . 73.019999999999996 114.975 171.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.8 mtmt -65.72 -50.79 63.54 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 115.646 -2.121 . . . . 88.189999999999998 114.088 177.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -54.69 -59.05 5.24 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 116.78 2.141 . . . . 95.900000000000006 116.78 169.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.2 mt -46.66 -29.88 2.07 Favored 'General case' 0 C--O 1.197 -1.666 0 O-C-N 120.239 -1.538 . . . . 92.209999999999994 114.611 168.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.625 HD11 HD21 ' B' ' 30' ' ' LEU . 14.4 tp -95.72 -68.59 0.79 Allowed 'General case' 0 C--O 1.168 -3.235 0 O-C-N 119.639 -1.913 . . . . 96.569999999999993 107.946 -173.569 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.33 -84.59 1.75 Allowed Glycine 0 CA--C 1.48 -2.142 1 CA-C-O 113.03 -4.206 . . . . 100.14 104.743 -177.434 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.214 0 O-C-N 128.203 2.943 . . . . 96.230000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.551 ' HG3' ' NE2' ' B' ' 4' ' ' GLN . 17.1 ttt180 . . . . . 0 N--CA 1.526 3.366 0 N-CA-C 114.025 1.12 . . . . 131.19999999999999 114.025 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 32.1 mtm -63.59 -35.11 79.42 Favored 'General case' 0 N--CA 1.436 -1.134 0 CA-C-N 114.962 -1.017 . . . . 130.19999999999999 110.215 177.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -18.98 55.1 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.479 0.657 . . . . 112.89 111.901 -174.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.551 ' NE2' ' HG3' ' B' ' 1' ' ' ARG . 2.8 mt-30 -72.98 -41.47 64.33 Favored 'General case' 0 CA--C 1.62 3.641 0 CA-C-N 114.799 -1.091 . . . . 104.41 113.522 170.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mt -60.85 -34.72 60.47 Favored 'Isoleucine or valine' 1 C--O 1.147 -4.337 0 C-N-CA 124.213 1.005 . . . . 87.310000000000002 111.959 171.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.63 -33.97 60.53 Favored 'General case' 0 CA--C 1.493 -1.218 0 C-N-CA 124.287 1.035 . . . . 100.19 110.242 -172.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.65 -40.8 88.9 Favored 'General case' 0 C--O 1.179 -2.634 0 N-CA-C 112.533 0.568 . . . . 84.040000000000006 112.533 171.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 8.3 tptt -69.3 -45.53 69.37 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 115.097 -0.956 . . . . 80.599999999999994 111.734 -177.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 53.6 mt -54.73 -42.73 71.91 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 125.379 1.674 . . . . 58.170000000000002 112.193 176.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.91 -37.38 64.66 Favored 'General case' 1 CA--C 1.413 -4.309 0 C-N-CA 124.333 1.053 . . . . 92.079999999999998 110.966 -179.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 54.9 tt0 -67.15 -40.97 86.8 Favored 'General case' 0 N--CA 1.493 1.714 0 N-CA-C 107.302 -1.37 . . . . 77.209999999999994 107.302 177.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 44.0 mt -62.84 -40.24 88.0 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.663 0 CA-C-O 122.777 1.275 . . . . 44.68 112.9 176.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . 1.588 ' CD1' ' CG ' ' B' ' 13' ' ' LEU . 15.2 mt -61.59 -42.57 99.04 Favored 'General case' 0 CA--C 1.436 -3.436 0 N-CA-C 115.378 1.622 . . . . 58.229999999999997 115.378 173.565 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 17.1 m -59.39 -46.23 89.26 Favored 'General case' 0 CA--C 1.465 -2.307 0 CA-C-O 122.253 1.025 . . . . 66.939999999999998 112.162 175.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.678 ' NZ ' ' CE1' ' A' ' 17' ' ' TYR . 8.7 tptt -65.62 -35.61 81.3 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 107.864 -1.161 . . . . 67.010000000000005 107.864 -176.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -65.57 -39.45 91.67 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-N 119.205 0.911 . . . . 41.590000000000003 111.968 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -58.65 -48.56 80.63 Favored 'General case' 0 C--O 1.189 -2.106 0 O-C-N 121.297 -0.877 . . . . 53.899999999999999 110.308 175.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.427 ' CD2' ' OE1' ' A' ' 20' ' ' GLU . 81.2 t60 -54.99 -41.92 71.84 Favored 'General case' 0 C--N 1.367 1.369 0 CA-C-O 122.766 1.27 . . . . 68.760000000000005 112.919 177.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 83.5 mt -72.53 -40.46 63.15 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.767 0 O-C-N 120.856 -1.152 . . . . 47.869999999999997 112.167 -179.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.62 -39.7 85.14 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 113.51 -1.677 . . . . 71.019999999999996 108.818 174.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -70.55 -33.97 71.72 Favored 'General case' 0 C--N 1.278 -2.528 0 O-C-N 120.332 -1.48 . . . . 52.359999999999999 112.929 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -67.88 -42.68 80.86 Favored 'General case' 0 C--O 1.161 -3.555 0 N-CA-C 106.385 -1.709 . . . . 84.659999999999997 106.385 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.68 -34.95 88.5 Favored Glycine 0 CA--C 1.547 2.08 0 CA-C-O 123.782 1.768 . . . . 52.420000000000002 114.398 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.47 -37.34 65.8 Favored 'General case' 0 CA--C 1.456 -2.647 0 O-C-N 119.07 -2.429 . . . . 52.039999999999999 113.202 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -53.07 -55.6 22.64 Favored 'General case' 0 C--O 1.187 -2.201 0 N-CA-C 115.695 1.739 . . . . 103.01000000000001 115.695 167.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 64.1 mt -56.43 -45.8 81.89 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.512 0 CA-C-N 114.676 -1.147 . . . . 72.400000000000006 107.907 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -58.4 -52.46 65.53 Favored 'General case' 0 C--N 1.293 -1.88 0 CA-C-N 119.366 0.985 . . . . 89.569999999999993 113.307 179.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -58.85 -40.83 85.43 Favored 'General case' 0 CA--C 1.515 -0.38 0 C-N-CA 125.298 1.439 . . . . 103.0 112.525 175.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -70.74 0.1 Allowed 'General case' 0 C--O 1.199 -1.559 0 N-CA-C 112.872 0.693 . . . . 99.549999999999997 112.872 172.233 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.625 HD21 HD11 ' A' ' 30' ' ' LEU . 97.1 mt -43.55 -41.63 4.59 Favored 'General case' 0 N--CA 1.404 -2.743 0 N-CA-C 113.627 0.973 . . . . 94.060000000000002 113.627 175.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -82.67 62.9 4.54 Favored Glycine 0 CA--C 1.533 1.199 0 CA-C-N 121.235 1.834 . . . . 102.08 114.575 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.521 2 O-C-N 109.988 -7.771 . . . . 97.579999999999998 . . . . . . . . . . 1 1 . 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 0 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_