data_6a6l_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6a6l _Structure_validation_residue.Date_analyzed 2019-06-14 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 ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tptt . . . . . 0 C--O 1.182 -2.46 0 CA-C-O 118.033 -0.985 . . . . 67.46 109.289 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -73.56 124.06 25.16 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 114.693 1.368 . . . . 50.29 114.693 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.41 125.46 39.59 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.545 0 CA-C-N 116.132 -0.485 . . . . 28.76 112.143 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.27 -40.56 10.26 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.659 0 N-CA-C 114.092 1.145 . . . . 32.27 114.092 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.26 150.82 34.37 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 115.28 -0.873 . . . . 22.62 111.024 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.8 p -123.94 154.61 39.52 Favored 'General case' 0 C--O 1.158 -3.721 0 N-CA-C 113.399 0.889 . . . . 26.28 113.399 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt 58.4 41.87 22.25 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 115.451 -0.795 . . . . 56.43 112.259 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -84.03 135.19 25.32 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.237 0 CA-C-N 114.202 -1.363 . . . . 18.64 110.981 174.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -102.2 143.55 31.86 Favored 'General case' 0 C--O 1.188 -2.166 0 N-CA-C 108.507 -0.923 . . . . 27.09 108.507 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.13 165.01 32.62 Favored Glycine 1 C--O 1.166 -4.145 0 CA-C-N 115.616 -0.72 . . . . 15.21 112.828 179.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 m -107.9 131.61 54.34 Favored 'General case' 1 CA--C 1.639 4.366 0 N-CA-C 120.171 3.397 . . . . 24.67 120.171 169.262 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.5 123.01 19.74 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.563 0 N-CA-C 105.881 -1.896 . . . . 18.83 105.881 -172.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -74.63 -55.33 6.01 Favored 'General case' 0 C--O 1.156 -3.82 0 CA-C-O 122.422 1.106 . . . . 42.96 112.433 174.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -155.79 154.47 31.43 Favored 'General case' 0 C--O 1.17 -3.097 0 CA-C-N 114.651 -1.159 . . . . 33.61 111.598 165.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -138.12 124.91 21.07 Favored 'General case' 0 C--O 1.165 -3.373 0 CA-C-O 118.603 -0.713 . . . . 18.28 110.477 172.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -108.1 113.58 26.84 Favored 'General case' 1 C--O 1.151 -4.095 0 N-CA-C 109.195 -0.668 . . . . 26.59 109.195 -173.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.97 -24.61 26.66 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.201 0 N-CA-C 114.125 1.157 . . . . 21.51 114.125 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -66.66 -46.71 74.83 Favored 'General case' 0 C--O 1.159 -3.704 0 N-CA-C 113.75 1.019 . . . . 61.68 113.75 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.06 -13.56 41.19 Favored 'General case' 0 C--O 1.175 -2.817 0 N-CA-C 114.527 1.306 . . . . 46.07 114.527 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.16 73.34 Favored Glycine 0 C--O 1.182 -3.149 0 N-CA-C 117.962 1.945 . . . . 18.85 117.962 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -151.29 172.79 15.31 Favored 'General case' 0 C--O 1.164 -3.416 0 N-CA-C 114.716 1.376 . . . . 35.24 114.716 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.58 32.37 Favored Glycine 1 C--O 1.168 -4.024 0 CA-C-N 115.017 -0.992 . . . . 15.01 113.162 -178.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.25 144.25 50.48 Favored 'General case' 0 C--O 1.168 -3.233 0 C-N-CA 122.533 0.333 . . . . 27.17 111.837 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.4 mt -119.21 132.99 67.48 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.635 0 N-CA-C 105.993 -1.854 . . . . 19.02 105.993 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -92.58 117.74 30.28 Favored 'General case' 0 C--O 1.169 -3.147 0 O-C-N 124.406 1.067 . . . . 21.2 112.246 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -67.3 131.3 45.47 Favored 'General case' 1 C--O 1.142 -4.569 0 N-CA-C 110.005 -0.369 . . . . 23.46 110.005 -174.955 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.25 -36.04 82.9 Favored 'General case' 0 C--O 1.186 -2.284 0 N-CA-C 113.345 0.869 . . . . 23.28 113.345 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.256 39.2 p-10 -70.23 -38.3 75.18 Favored 'General case' 0 C--O 1.185 -2.314 0 N-CA-C 118.963 2.949 . . . . 26.2 118.963 -179.429 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.9 p -118.51 -12.12 9.85 Favored 'General case' 1 C--O 1.149 -4.237 0 N-CA-C 114.768 1.396 . . . . 19.57 114.768 -179.661 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 65.13 21.49 12.17 Favored 'General case' 0 C--O 1.192 -1.963 0 N-CA-C 115.073 1.509 . . . . 34.85 115.073 -176.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -102.19 145.65 29.09 Favored 'General case' 0 C--O 1.179 -2.654 0 CA-C-O 121.017 0.437 . . . . 42.35 111.059 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.46 137.56 42.66 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 115.86 -0.609 . . . . 30.36 110.695 176.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.44 136.91 56.84 Favored 'Isoleucine or valine' 0 C--O 1.172 -2.988 0 O-C-N 123.921 0.763 . . . . 24.12 110.776 170.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.05 134.72 55.5 Favored 'General case' 0 C--O 1.159 -3.676 0 CA-C-N 115.078 -0.964 . . . . 28.39 112.045 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.37 122.6 53.7 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.354 0 N-CA-C 112.661 0.615 . . . . 18.53 112.661 170.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.69 150.17 21.77 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 124.05 0.844 . . . . 39.7 111.911 171.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -51.66 -33.27 32.99 Favored 'General case' 1 C--O 1.143 -4.527 1 N-CA-C 122.135 4.124 . . . . 21.47 122.135 -179.651 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.2 p -64.62 -27.18 68.76 Favored 'General case' 0 C--O 1.195 -1.816 0 CA-C-N 112.881 -1.963 . . . . 30.18 113.328 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.79 -11.62 59.86 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 115.251 1.574 . . . . 25.71 115.251 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 57.8 mt -90.46 130.9 38.96 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.547 0 C-N-CA 123.031 0.532 . . . . 29.14 111.435 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -73.81 145.86 44.66 Favored 'General case' 0 C--O 1.196 -1.716 0 O-C-N 121.364 -0.835 . . . . 60.18 111.277 -175.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -53.42 131.12 37.45 Favored 'General case' 0 C--O 1.179 -2.637 0 N-CA-C 116.419 2.007 . . . . 66.79 116.419 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -68.54 139.72 55.61 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.099 1.518 . . . . 56.24 115.099 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . . . -70.3 -46.55 20.38 Favored Pre-proline 0 N--CA 1.487 1.384 0 N-CA-C 116.065 1.876 . . . . 30.0 116.065 163.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . 0.665 ' CB ' ' O ' ' A' ' 208' ' ' HOH . . . . . . . . 0 C--O 1.234 0.305 0 C-N-CA 123.785 2.99 . . . . 30.0 110.243 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.428 -1.57 0 CA-C-O 126.175 2.893 . . . . 42.22 107.308 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 67.7 tp -58.28 -37.41 74.93 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 110.865 -2.879 . . . . 53.77 107.734 -170.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -111.77 99.63 8.3 Favored 'General case' 0 C--O 1.183 -2.429 0 C-N-CA 118.698 -1.201 . . . . 41.84 109.929 172.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.1 p -156.7 159.66 38.58 Favored 'General case' 0 C--O 1.174 -2.918 0 CA-C-N 114.969 -1.014 . . . . 25.46 111.937 174.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.48 162.64 36.6 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.152 0 N-CA-C 109.156 -0.683 . . . . 18.83 109.156 168.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -108.29 145.58 16.35 Favored Glycine 0 C--O 1.191 -2.549 0 N-CA-C 115.354 0.902 . . . . 18.32 115.354 -177.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.01 132.89 55.39 Favored 'General case' 0 C--O 1.158 -3.732 0 N-CA-C 109.244 -0.65 . . . . 18.23 109.244 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.29 83.65 Favored Glycine 0 C--O 1.199 -2.052 0 N-CA-C 116.19 1.236 . . . . 20.65 116.19 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 149.76 35.06 Favored 'General case' 0 C--O 1.173 -2.936 0 N-CA-C 113.465 0.913 . . . . 36.24 113.465 177.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.7 m -91.03 129.1 37.06 Favored 'General case' 0 C--O 1.168 -3.235 0 O-C-N 125.401 1.688 . . . . 19.53 110.173 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 m -133.84 160.28 42.06 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.053 0 CA-C-N 116.071 -0.513 . . . . 18.52 111.581 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.2 136.11 54.36 Favored 'General case' 0 C--O 1.18 -2.603 0 O-C-N 124.438 1.086 . . . . 37.9 110.376 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -158.44 161.54 37.47 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 120.012 -0.675 . . . . 22.65 111.867 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.9 152.09 20.87 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 125.483 1.74 . . . . 25.93 111.822 165.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.2 t -110.24 124.35 66.92 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 N-CA-C 108.172 -1.047 . . . . 25.13 108.172 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.2 m -129.16 163.25 34.75 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.769 0 CA-C-O 122.111 0.958 . . . . 27.65 112.262 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' GLU . . . . . 0.693 ' OE1' ' O ' ' A' ' 202' ' ' HOH . 15.0 tp10 -84.39 110.92 18.99 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.648 -1.16 . . . . 60.05 113.478 178.527 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.87 -176.55 41.1 Favored Glycine 0 C--O 1.203 -1.801 0 N-CA-C 110.561 -1.016 . . . . 53.28 110.561 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -45.11 92.35 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 119.747 -0.781 . . . . 84.26 111.351 172.743 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.57 9.79 42.45 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 117.713 2.486 . . . . 69.11 117.713 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.99 -159.56 27.0 Favored Glycine 0 C--O 1.192 -2.514 0 C-N-CA 119.879 -1.153 . . . . 52.23 112.236 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' A' ' 203' ' ' HOH . . . -80.39 134.5 36.03 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 107.616 -1.253 . . . . 41.25 107.616 -178.521 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.75 155.93 47.79 Favored 'General case' 0 C--O 1.181 -2.502 0 O-C-N 123.716 0.635 . . . . 47.89 111.221 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.18 150.07 37.18 Favored 'General case' 0 C--O 1.19 -2.072 0 N-CA-C 112.588 0.588 . . . . 22.7 112.588 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.82 155.88 47.78 Favored 'General case' 0 C--O 1.189 -2.131 0 N-CA-C 110.18 -0.304 . . . . 20.35 110.18 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 52.24 48.03 23.51 Favored 'General case' 0 C--O 1.184 -2.359 0 C-N-CA 119.791 -0.764 . . . . 33.96 111.831 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.42 123.75 30.53 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.45 0 N-CA-C 115.572 1.694 . . . . 20.1 115.572 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.6 p -137.93 177.09 8.14 Favored 'General case' 0 C--O 1.183 -2.404 0 CA-C-N 115.106 -0.952 . . . . 27.55 111.033 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -67.27 159.37 50.04 Favored Glycine 0 C--O 1.18 -3.265 0 CA-C-N 114.424 -1.262 . . . . 26.28 111.379 166.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.67 140.89 52.92 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 113.991 -3.54 . . . . 39.91 110.124 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.147 0 CA-C-O 122.952 1.306 . . . . 63.16 113.203 -162.918 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' ' C' . . . . . 0.672 ' OP1' ' O ' ' D' ' 101' ' ' HOH . . . . . . . . 0 O5'--C5' 1.417 -1.456 0 C1'-C2'-O2' 102.638 -2.654 . 0.0 '__' . 91.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.314 0 P-O3'-C3' 121.55 1.542 . 0.191 0b . 65.77 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.56 -3.875 0 C4'-C3'-O3' 104.988 -2.159 . 0.245 0b . 62.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' 5MC . . . . . . . . . . . . . . . . . . . . 6 C4'--C3' 1.297 -20.656 1 O4'-C1'-N19 112.46 4.26 . 0.314 0a . 81.55 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.693 ' O ' ' OE1' ' A' ' 115' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.519 ' O ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . 0.665 ' O ' ' CB ' ' A' ' 96' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . 0.672 ' O ' ' OP1' ' D' ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tptt . . . . . 0 C--O 1.182 -2.46 0 CA-C-O 118.033 -0.985 . . . . 67.46 109.289 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -73.56 124.06 25.16 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 114.693 1.368 . . . . 50.29 114.693 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.41 125.46 39.59 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.545 0 CA-C-N 116.132 -0.485 . . . . 28.76 112.143 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.27 -40.56 10.26 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.659 0 N-CA-C 114.092 1.145 . . . . 32.27 114.092 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.26 150.82 34.37 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 115.28 -0.873 . . . . 22.62 111.024 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.8 p -123.94 154.61 39.52 Favored 'General case' 0 C--O 1.158 -3.721 0 N-CA-C 113.399 0.889 . . . . 26.28 113.399 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt 58.4 41.87 22.25 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 115.451 -0.795 . . . . 56.43 112.259 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -84.03 135.19 25.32 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.237 0 CA-C-N 114.202 -1.363 . . . . 18.64 110.981 174.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -102.2 143.55 31.86 Favored 'General case' 0 C--O 1.188 -2.166 0 N-CA-C 108.507 -0.923 . . . . 27.09 108.507 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.13 165.01 32.62 Favored Glycine 1 C--O 1.166 -4.145 0 CA-C-N 115.616 -0.72 . . . . 15.21 112.828 179.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 m -107.9 131.61 54.34 Favored 'General case' 1 CA--C 1.639 4.366 0 N-CA-C 120.171 3.397 . . . . 24.67 120.171 169.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.5 123.01 19.74 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.563 0 N-CA-C 105.881 -1.896 . . . . 18.83 105.881 -172.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . 0.522 ' NZ ' ' H3 ' ' D' ' 4' ' ' ' U' . 77.4 tttt -74.63 -55.33 6.01 Favored 'General case' 0 C--O 1.156 -3.82 0 CA-C-O 122.422 1.106 . . . . 42.96 112.433 174.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -155.79 154.47 31.43 Favored 'General case' 0 C--O 1.17 -3.097 0 CA-C-N 114.651 -1.159 . . . . 33.61 111.598 165.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -138.12 124.91 21.07 Favored 'General case' 0 C--O 1.165 -3.373 0 CA-C-O 118.603 -0.713 . . . . 18.28 110.477 172.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -108.1 113.58 26.84 Favored 'General case' 1 C--O 1.151 -4.095 0 N-CA-C 109.195 -0.668 . . . . 26.59 109.195 -173.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.97 -24.61 26.66 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.201 0 N-CA-C 114.125 1.157 . . . . 21.51 114.125 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -66.66 -46.71 74.83 Favored 'General case' 0 C--O 1.159 -3.704 0 N-CA-C 113.75 1.019 . . . . 61.68 113.75 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.06 -13.56 41.19 Favored 'General case' 0 C--O 1.175 -2.817 0 N-CA-C 114.527 1.306 . . . . 46.07 114.527 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.16 73.34 Favored Glycine 0 C--O 1.182 -3.149 0 N-CA-C 117.962 1.945 . . . . 18.85 117.962 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -151.29 172.79 15.31 Favored 'General case' 0 C--O 1.164 -3.416 0 N-CA-C 114.716 1.376 . . . . 35.24 114.716 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.58 32.37 Favored Glycine 1 C--O 1.168 -4.024 0 CA-C-N 115.017 -0.992 . . . . 15.01 113.162 -178.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.25 144.25 50.48 Favored 'General case' 0 C--O 1.168 -3.233 0 C-N-CA 122.533 0.333 . . . . 27.17 111.837 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.4 mt -119.21 132.99 67.48 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.635 0 N-CA-C 105.993 -1.854 . . . . 19.02 105.993 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -92.58 117.74 30.28 Favored 'General case' 0 C--O 1.169 -3.147 0 O-C-N 124.406 1.067 . . . . 21.2 112.246 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -67.3 131.3 45.47 Favored 'General case' 1 C--O 1.142 -4.569 0 N-CA-C 110.005 -0.369 . . . . 23.46 110.005 -174.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.25 -36.04 82.9 Favored 'General case' 0 C--O 1.186 -2.284 0 N-CA-C 113.345 0.869 . . . . 23.28 113.345 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.256 39.2 p-10 -70.23 -38.3 75.18 Favored 'General case' 0 C--O 1.185 -2.314 0 N-CA-C 118.963 2.949 . . . . 26.2 118.963 -179.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.9 p -118.51 -12.12 9.85 Favored 'General case' 1 C--O 1.149 -4.237 0 N-CA-C 114.768 1.396 . . . . 19.57 114.768 -179.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 65.13 21.49 12.17 Favored 'General case' 0 C--O 1.192 -1.963 0 N-CA-C 115.073 1.509 . . . . 34.85 115.073 -176.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -102.19 145.65 29.09 Favored 'General case' 0 C--O 1.179 -2.654 0 CA-C-O 121.017 0.437 . . . . 42.35 111.059 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.46 137.56 42.66 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 115.86 -0.609 . . . . 30.36 110.695 176.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.44 136.91 56.84 Favored 'Isoleucine or valine' 0 C--O 1.172 -2.988 0 O-C-N 123.921 0.763 . . . . 24.12 110.776 170.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.05 134.72 55.5 Favored 'General case' 0 C--O 1.159 -3.676 0 CA-C-N 115.078 -0.964 . . . . 28.39 112.045 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.37 122.6 53.7 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.354 0 N-CA-C 112.661 0.615 . . . . 18.53 112.661 170.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.69 150.17 21.77 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 124.05 0.844 . . . . 39.7 111.911 171.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -51.66 -33.27 32.99 Favored 'General case' 1 C--O 1.143 -4.527 1 N-CA-C 122.135 4.124 . . . . 21.47 122.135 -179.651 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.2 p -64.62 -27.18 68.76 Favored 'General case' 0 C--O 1.195 -1.816 0 CA-C-N 112.881 -1.963 . . . . 30.18 113.328 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.79 -11.62 59.86 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 115.251 1.574 . . . . 25.71 115.251 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 57.8 mt -90.46 130.9 38.96 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.547 0 C-N-CA 123.031 0.532 . . . . 29.14 111.435 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -73.81 145.86 44.66 Favored 'General case' 0 C--O 1.196 -1.716 0 O-C-N 121.364 -0.835 . . . . 60.18 111.277 -175.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -53.42 131.12 37.45 Favored 'General case' 0 C--O 1.179 -2.637 0 N-CA-C 116.419 2.007 . . . . 66.79 116.419 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -68.54 139.72 55.61 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.099 1.518 . . . . 56.24 115.099 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . . . -70.3 -46.55 20.38 Favored Pre-proline 0 N--CA 1.487 1.384 0 N-CA-C 116.065 1.876 . . . . 30.0 116.065 163.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . 0.665 ' CB ' ' O ' ' A' ' 208' ' ' HOH . . . . . . . . 0 C--O 1.234 0.305 0 C-N-CA 123.785 2.99 . . . . 30.0 110.243 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.428 -1.57 0 CA-C-O 126.175 2.893 . . . . 42.22 107.308 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 100' ' ' LEU . 67.7 tp -58.28 -37.41 74.93 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 110.865 -2.879 . . . . 53.77 107.734 -170.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -111.77 99.63 8.3 Favored 'General case' 0 C--O 1.183 -2.429 0 C-N-CA 118.698 -1.201 . . . . 41.84 109.929 172.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.1 p -156.7 159.66 38.58 Favored 'General case' 0 C--O 1.174 -2.918 0 CA-C-N 114.969 -1.014 . . . . 25.46 111.937 174.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.48 162.64 36.6 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.152 0 N-CA-C 109.156 -0.683 . . . . 18.83 109.156 168.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -108.29 145.58 16.35 Favored Glycine 0 C--O 1.191 -2.549 0 N-CA-C 115.354 0.902 . . . . 18.32 115.354 -177.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.01 132.89 55.39 Favored 'General case' 0 C--O 1.158 -3.732 0 N-CA-C 109.244 -0.65 . . . . 18.23 109.244 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.29 83.65 Favored Glycine 0 C--O 1.199 -2.052 0 N-CA-C 116.19 1.236 . . . . 20.65 116.19 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 149.76 35.06 Favored 'General case' 0 C--O 1.173 -2.936 0 N-CA-C 113.465 0.913 . . . . 36.24 113.465 177.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.7 m -91.03 129.1 37.06 Favored 'General case' 0 C--O 1.168 -3.235 0 O-C-N 125.401 1.688 . . . . 19.53 110.173 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 m -133.84 160.28 42.06 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.053 0 CA-C-N 116.071 -0.513 . . . . 18.52 111.581 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.2 136.11 54.36 Favored 'General case' 0 C--O 1.18 -2.603 0 O-C-N 124.438 1.086 . . . . 37.9 110.376 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -158.44 161.54 37.47 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 120.012 -0.675 . . . . 22.65 111.867 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.9 152.09 20.87 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 125.483 1.74 . . . . 25.93 111.822 165.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.2 t -110.24 124.35 66.92 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 N-CA-C 108.172 -1.047 . . . . 25.13 108.172 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.2 m -129.16 163.25 34.75 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.769 0 CA-C-O 122.111 0.958 . . . . 27.65 112.262 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' GLU . . . . . 0.693 ' OE1' ' O ' ' A' ' 202' ' ' HOH . 15.0 tp10 -84.39 110.92 18.99 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.648 -1.16 . . . . 60.05 113.478 178.527 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.87 -176.55 41.1 Favored Glycine 0 C--O 1.203 -1.801 0 N-CA-C 110.561 -1.016 . . . . 53.28 110.561 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -45.11 92.35 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 119.747 -0.781 . . . . 84.26 111.351 172.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.57 9.79 42.45 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 117.713 2.486 . . . . 69.11 117.713 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.99 -159.56 27.0 Favored Glycine 0 C--O 1.192 -2.514 0 C-N-CA 119.879 -1.153 . . . . 52.23 112.236 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' A' ' 203' ' ' HOH . . . -80.39 134.5 36.03 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 107.616 -1.253 . . . . 41.25 107.616 -178.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.75 155.93 47.79 Favored 'General case' 0 C--O 1.181 -2.502 0 O-C-N 123.716 0.635 . . . . 47.89 111.221 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.18 150.07 37.18 Favored 'General case' 0 C--O 1.19 -2.072 0 N-CA-C 112.588 0.588 . . . . 22.7 112.588 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.82 155.88 47.78 Favored 'General case' 0 C--O 1.189 -2.131 0 N-CA-C 110.18 -0.304 . . . . 20.35 110.18 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 52.24 48.03 23.51 Favored 'General case' 0 C--O 1.184 -2.359 0 C-N-CA 119.791 -0.764 . . . . 33.96 111.831 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.42 123.75 30.53 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.45 0 N-CA-C 115.572 1.694 . . . . 20.1 115.572 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.6 p -137.93 177.09 8.14 Favored 'General case' 0 C--O 1.183 -2.404 0 CA-C-N 115.106 -0.952 . . . . 27.55 111.033 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -67.27 159.37 50.04 Favored Glycine 0 C--O 1.18 -3.265 0 CA-C-N 114.424 -1.262 . . . . 26.28 111.379 166.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.67 140.89 52.92 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 113.991 -3.54 . . . . 39.91 110.124 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.147 0 CA-C-O 122.952 1.306 . . . . 63.16 113.203 -162.918 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' ' C' . . . . . 0.672 ' OP1' ' O ' ' D' ' 101' ' ' HOH . . . . . . . . 0 O5'--C5' 1.417 -1.456 0 C1'-C2'-O2' 102.638 -2.654 . 0.0 '__' . 91.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.314 0 P-O3'-C3' 121.55 1.542 . 0.191 0b . 65.77 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' ' U' . . . . . 0.522 ' H3 ' ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 P--O3' 1.56 -3.875 0 C4'-C3'-O3' 104.988 -2.159 . 0.245 0b . 62.87 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' 5MC . . . . . 0.447 " H5'" " H4'" ' D' ' 4' ' ' ' U' . . . . . . . . 6 C4'--C3' 1.297 -20.656 1 O4'-C1'-N19 112.46 4.26 . 0.314 0a . 81.55 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.693 ' O ' ' OE1' ' A' ' 115' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . 0.519 ' O ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . 0.665 ' O ' ' CB ' ' A' ' 96' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . 0.672 ' O ' ' OP1' ' D' ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 tptt . . . . . 0 C--O 1.182 -2.46 0 CA-C-O 118.033 -0.985 . . . . 67.46 109.289 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -73.56 124.06 25.16 Favored 'General case' 0 C--O 1.174 -2.915 0 N-CA-C 114.693 1.368 . . . . 50.29 114.693 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 49.1 t -81.41 125.46 39.59 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.545 0 CA-C-N 116.132 -0.485 . . . . 28.76 112.143 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.27 -40.56 10.26 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.659 0 N-CA-C 114.092 1.145 . . . . 32.27 114.092 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -148.26 150.82 34.37 Favored 'General case' 0 C--O 1.176 -2.79 0 CA-C-N 115.28 -0.873 . . . . 22.62 111.024 177.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 41.8 p -123.94 154.61 39.52 Favored 'General case' 0 C--O 1.158 -3.721 0 N-CA-C 113.399 0.889 . . . . 26.28 113.399 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt 58.4 41.87 22.25 Favored 'General case' 0 N--CA 1.426 -1.647 0 CA-C-N 115.451 -0.795 . . . . 56.43 112.259 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.3 t -84.03 135.19 25.32 Favored 'Isoleucine or valine' 0 C--O 1.167 -3.237 0 CA-C-N 114.202 -1.363 . . . . 18.64 110.981 174.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.0 mt -102.2 143.55 31.86 Favored 'General case' 0 C--O 1.188 -2.166 0 N-CA-C 108.507 -0.923 . . . . 27.09 108.507 175.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.13 165.01 32.62 Favored Glycine 1 C--O 1.166 -4.145 0 CA-C-N 115.616 -0.72 . . . . 15.21 112.828 179.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.0 m -107.9 131.61 54.34 Favored 'General case' 1 CA--C 1.639 4.366 0 N-CA-C 120.171 3.397 . . . . 24.67 120.171 169.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.9 t -67.5 123.01 19.74 Favored 'Isoleucine or valine' 0 C--O 1.18 -2.563 0 N-CA-C 105.881 -1.896 . . . . 18.83 105.881 -172.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.522 ' NZ ' ' H3 ' ' D' ' 4' ' ' ' U' . 77.4 tttt -74.63 -55.33 6.01 Favored 'General case' 0 C--O 1.156 -3.82 0 CA-C-O 122.422 1.106 . . . . 42.96 112.433 174.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 68.0 p-90 -155.79 154.47 31.43 Favored 'General case' 0 C--O 1.17 -3.097 0 CA-C-N 114.651 -1.159 . . . . 33.61 111.598 165.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -138.12 124.91 21.07 Favored 'General case' 0 C--O 1.165 -3.373 0 CA-C-O 118.603 -0.713 . . . . 18.28 110.477 172.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 31.8 t-20 -108.1 113.58 26.84 Favored 'General case' 1 C--O 1.151 -4.095 0 N-CA-C 109.195 -0.668 . . . . 26.59 109.195 -173.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 22.6 m -69.97 -24.61 26.66 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.201 0 N-CA-C 114.125 1.157 . . . . 21.51 114.125 -176.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -66.66 -46.71 74.83 Favored 'General case' 0 C--O 1.159 -3.704 0 N-CA-C 113.75 1.019 . . . . 61.68 113.75 175.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -88.06 -13.56 41.19 Favored 'General case' 0 C--O 1.175 -2.817 0 N-CA-C 114.527 1.306 . . . . 46.07 114.527 179.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.66 28.16 73.34 Favored Glycine 0 C--O 1.182 -3.149 0 N-CA-C 117.962 1.945 . . . . 18.85 117.962 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -151.29 172.79 15.31 Favored 'General case' 0 C--O 1.164 -3.416 0 N-CA-C 114.716 1.376 . . . . 35.24 114.716 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -170.35 -168.58 32.37 Favored Glycine 1 C--O 1.168 -4.024 0 CA-C-N 115.017 -0.992 . . . . 15.01 113.162 -178.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.25 144.25 50.48 Favored 'General case' 0 C--O 1.168 -3.233 0 C-N-CA 122.533 0.333 . . . . 27.17 111.837 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 95.4 mt -119.21 132.99 67.48 Favored 'Isoleucine or valine' 0 C--O 1.179 -2.635 0 N-CA-C 105.993 -1.854 . . . . 19.02 105.993 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -92.58 117.74 30.28 Favored 'General case' 0 C--O 1.169 -3.147 0 O-C-N 124.406 1.067 . . . . 21.2 112.246 176.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -67.3 131.3 45.47 Favored 'General case' 1 C--O 1.142 -4.569 0 N-CA-C 110.005 -0.369 . . . . 23.46 110.005 -174.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -65.25 -36.04 82.9 Favored 'General case' 0 C--O 1.186 -2.284 0 N-CA-C 113.345 0.869 . . . . 23.28 113.345 177.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . 0.256 39.2 p-10 -70.23 -38.3 75.18 Favored 'General case' 0 C--O 1.185 -2.314 0 N-CA-C 118.963 2.949 . . . . 26.2 118.963 -179.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 45.9 p -118.51 -12.12 9.85 Favored 'General case' 1 C--O 1.149 -4.237 0 N-CA-C 114.768 1.396 . . . . 19.57 114.768 -179.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.3 mmtt 65.13 21.49 12.17 Favored 'General case' 0 C--O 1.192 -1.963 0 N-CA-C 115.073 1.509 . . . . 34.85 115.073 -176.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -102.19 145.65 29.09 Favored 'General case' 0 C--O 1.179 -2.654 0 CA-C-O 121.017 0.437 . . . . 42.35 111.059 175.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -74.46 137.56 42.66 Favored 'General case' 0 C--O 1.199 -1.586 0 CA-C-N 115.86 -0.609 . . . . 30.36 110.695 176.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.44 136.91 56.84 Favored 'Isoleucine or valine' 0 C--O 1.172 -2.988 0 O-C-N 123.921 0.763 . . . . 24.12 110.776 170.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -64.05 134.72 55.5 Favored 'General case' 0 C--O 1.159 -3.676 0 CA-C-N 115.078 -0.964 . . . . 28.39 112.045 176.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.4 p -130.37 122.6 53.7 Favored 'Isoleucine or valine' 0 C--O 1.184 -2.354 0 N-CA-C 112.661 0.615 . . . . 18.53 112.661 170.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -90.69 150.17 21.77 Favored 'General case' 0 N--CA 1.424 -1.756 0 O-C-N 124.05 0.844 . . . . 39.7 111.911 171.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -51.66 -33.27 32.99 Favored 'General case' 1 C--O 1.143 -4.527 1 N-CA-C 122.135 4.124 . . . . 21.47 122.135 -179.651 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 76.2 p -64.62 -27.18 68.76 Favored 'General case' 0 C--O 1.195 -1.816 0 CA-C-N 112.881 -1.963 . . . . 30.18 113.328 174.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -76.79 -11.62 59.86 Favored 'General case' 0 C--O 1.204 -1.31 0 N-CA-C 115.251 1.574 . . . . 25.71 115.251 -178.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 57.8 mt -90.46 130.9 38.96 Favored 'Isoleucine or valine' 0 C--O 1.181 -2.547 0 C-N-CA 123.031 0.532 . . . . 29.14 111.435 -178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -73.81 145.86 44.66 Favored 'General case' 0 C--O 1.196 -1.716 0 O-C-N 121.364 -0.835 . . . . 60.18 111.277 -175.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -53.42 131.12 37.45 Favored 'General case' 0 C--O 1.179 -2.637 0 N-CA-C 116.419 2.007 . . . . 66.79 116.419 -174.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -68.54 139.72 55.61 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 115.099 1.518 . . . . 56.24 115.099 178.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . . . -70.3 -46.55 20.38 Favored Pre-proline 0 N--CA 1.487 1.384 0 N-CA-C 116.065 1.876 . . . . 30.0 116.065 163.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.665 ' CB ' ' O ' ' A' ' 208' ' ' HOH . . . . . . . . 0 C--O 1.234 0.305 0 C-N-CA 123.785 2.99 . . . . 30.0 110.243 175.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 N--CA 1.428 -1.57 0 CA-C-O 126.175 2.893 . . . . 42.22 107.308 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 100' ' ' LEU . 67.7 tp -58.28 -37.41 74.93 Favored 'General case' 0 N--CA 1.415 -2.2 0 CA-C-N 110.865 -2.879 . . . . 53.77 107.734 -170.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 81.6 mtt-85 -111.77 99.63 8.3 Favored 'General case' 0 C--O 1.183 -2.429 0 C-N-CA 118.698 -1.201 . . . . 41.84 109.929 172.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 97.1 p -156.7 159.66 38.58 Favored 'General case' 0 C--O 1.174 -2.918 0 CA-C-N 114.969 -1.014 . . . . 25.46 111.937 174.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.48 162.64 36.6 Favored 'Isoleucine or valine' 0 C--O 1.169 -3.152 0 N-CA-C 109.156 -0.683 . . . . 18.83 109.156 168.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -108.29 145.58 16.35 Favored Glycine 0 C--O 1.191 -2.549 0 N-CA-C 115.354 0.902 . . . . 18.32 115.354 -177.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.01 132.89 55.39 Favored 'General case' 0 C--O 1.158 -3.732 0 N-CA-C 109.244 -0.65 . . . . 18.23 109.244 -177.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.58 -6.29 83.65 Favored Glycine 0 C--O 1.199 -2.052 0 N-CA-C 116.19 1.236 . . . . 20.65 116.19 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 149.76 35.06 Favored 'General case' 0 C--O 1.173 -2.936 0 N-CA-C 113.465 0.913 . . . . 36.24 113.465 177.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 36.7 m -91.03 129.1 37.06 Favored 'General case' 0 C--O 1.168 -3.235 0 O-C-N 125.401 1.688 . . . . 19.53 110.173 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 18.0 m -133.84 160.28 42.06 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.053 0 CA-C-N 116.071 -0.513 . . . . 18.52 111.581 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -119.2 136.11 54.36 Favored 'General case' 0 C--O 1.18 -2.603 0 O-C-N 124.438 1.086 . . . . 37.9 110.376 178.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -158.44 161.54 37.47 Favored 'General case' 0 N--CA 1.431 -1.409 0 C-N-CA 120.012 -0.675 . . . . 22.65 111.867 -171.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -90.9 152.09 20.87 Favored 'General case' 0 C--O 1.188 -2.179 0 O-C-N 125.483 1.74 . . . . 25.93 111.822 165.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.2 t -110.24 124.35 66.92 Favored 'Isoleucine or valine' 0 C--O 1.171 -3.036 0 N-CA-C 108.172 -1.047 . . . . 25.13 108.172 174.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 18.2 m -129.16 163.25 34.75 Favored 'Isoleucine or valine' 0 C--O 1.176 -2.769 0 CA-C-O 122.111 0.958 . . . . 27.65 112.262 -177.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.693 ' OE1' ' O ' ' A' ' 202' ' ' HOH . 15.0 tp10 -84.39 110.92 18.99 Favored 'General case' 0 C--N 1.311 -1.091 0 CA-C-N 114.648 -1.16 . . . . 60.05 113.478 178.527 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -92.87 -176.55 41.1 Favored Glycine 0 C--O 1.203 -1.801 0 N-CA-C 110.561 -1.016 . . . . 53.28 110.561 175.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -45.11 92.35 Favored 'General case' 0 CA--C 1.505 -0.76 0 C-N-CA 119.747 -0.781 . . . . 84.26 111.351 172.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -98.57 9.79 42.45 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 117.713 2.486 . . . . 69.11 117.713 -173.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 141.99 -159.56 27.0 Favored Glycine 0 C--O 1.192 -2.514 0 C-N-CA 119.879 -1.153 . . . . 52.23 112.236 179.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.519 ' O ' ' O ' ' A' ' 203' ' ' HOH . . . -80.39 134.5 36.03 Favored 'General case' 0 C--O 1.18 -2.56 0 N-CA-C 107.616 -1.253 . . . . 41.25 107.616 -178.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -138.75 155.93 47.79 Favored 'General case' 0 C--O 1.181 -2.502 0 O-C-N 123.716 0.635 . . . . 47.89 111.221 177.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -76.18 150.07 37.18 Favored 'General case' 0 C--O 1.19 -2.072 0 N-CA-C 112.588 0.588 . . . . 22.7 112.588 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.82 155.88 47.78 Favored 'General case' 0 C--O 1.189 -2.131 0 N-CA-C 110.18 -0.304 . . . . 20.35 110.18 174.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 52.24 48.03 23.51 Favored 'General case' 0 C--O 1.184 -2.359 0 C-N-CA 119.791 -0.764 . . . . 33.96 111.831 173.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.8 t -74.42 123.75 30.53 Favored 'Isoleucine or valine' 0 C--O 1.182 -2.45 0 N-CA-C 115.572 1.694 . . . . 20.1 115.572 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 38.6 p -137.93 177.09 8.14 Favored 'General case' 0 C--O 1.183 -2.404 0 CA-C-N 115.106 -0.952 . . . . 27.55 111.033 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -67.27 159.37 50.04 Favored Glycine 0 C--O 1.18 -3.265 0 CA-C-N 114.424 -1.262 . . . . 26.28 111.379 166.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.67 140.89 52.92 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 113.991 -3.54 . . . . 39.91 110.124 -178.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.147 0 CA-C-O 122.952 1.306 . . . . 63.16 113.203 -162.918 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' ' C' . . . . . 0.672 ' OP1' ' O ' ' D' ' 101' ' ' HOH . . . . . . . . 0 O5'--C5' 1.417 -1.456 0 C1'-C2'-O2' 102.638 -2.654 . 0.0 '__' . 91.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.555 -4.314 0 P-O3'-C3' 121.55 1.542 . 0.191 0b . 65.77 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' ' U' . . . . . 0.522 ' H3 ' ' NZ ' ' A' ' 64' ' ' LYS . . . . . . . . 0 P--O3' 1.56 -3.875 0 C4'-C3'-O3' 104.988 -2.159 . 0.245 0b . 62.87 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' 5MC . . . . . 0.447 " H5'" " H4'" ' D' ' 4' ' ' ' U' . . . . . . . . 6 C4'--C3' 1.297 -20.656 1 O4'-C1'-N19 112.46 4.26 . 0.314 0a . 81.55 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.693 ' O ' ' OE1' ' A' ' 115' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.519 ' O ' ' O ' ' A' ' 120' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . 0.665 ' O ' ' CB ' ' A' ' 96' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . 0.672 ' O ' ' OP1' ' D' ' 2' ' ' ' C' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_