data_2mlt_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 2mlt _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.979 -0.448 . . . . 35.82 111.979 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.94 -30.26 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 106.776 -1.564 . . . . 32.44 106.776 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.54 -40.19 78.47 Favored Glycine 1 CA--C 1.581 4.173 0 N-CA-C 103.343 -3.903 . . . . 22.86 103.343 -167.503 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.71 75.08 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 128.011 2.83 . . . . 22.97 109.837 -174.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.4 -43.05 93.13 Favored 'Isoleucine or valine' 0 C--O 1.271 2.189 0 CA-C-O 126.544 3.068 . . . . 23.06 109.927 177.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . 0.339 55.5 tp -61.15 -45.12 95.94 Favored 'General case' 1 C--O 1.307 4.089 0 O-C-N 117.648 -3.158 . . . . 29.31 113.19 176.037 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.39 -39.06 89.29 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 116.875 -3.64 . . . . 55.47 112.856 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.252 31.7 m -64.21 -38.72 83.22 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 O-C-N 124.022 0.826 . . . . 27.95 112.701 176.075 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.29 -33.43 67.66 Favored 'General case' 1 C--O 1.308 4.156 0 C-N-CA 116.03 -2.268 . . . . 24.09 113.357 172.175 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.6 p -86.68 -21.73 26.51 Favored 'General case' 0 C--O 1.276 2.46 0 C-N-CA 119.001 -1.079 . . . . 31.2 112.122 -174.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.9 p -130.92 -41.83 1.13 Allowed 'General case' 0 N--CA 1.51 2.525 0 C-N-CA 115.253 -2.579 . . . . 31.22 111.277 -175.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.35 -32.8 21.73 Favored Glycine 0 N--CA 1.516 3.996 0 CA-C-O 113.705 -3.83 . . . . 24.45 109.208 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -45.98 92.55 Favored Pre-proline 0 C--O 1.284 2.898 0 CA-C-N 123.716 3.758 . . . . 27.53 116.472 179.602 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -53.87 -46.34 34.4 Favored 'Trans proline' 0 C--N 1.295 -2.284 0 C-N-CA 123.684 2.923 . . . . 18.98 113.704 172.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.73 84.08 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 117.622 -1.18 . . . . 19.58 109.455 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.7 -40.75 80.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 114.022 1.119 . . . . 27.8 114.022 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mt -58.49 -48.66 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 CA-C-O 112.166 -3.778 . . . . 27.0 111.933 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 t -59.75 -46.13 90.1 Favored 'General case' 0 C--N 1.279 -2.481 1 O-C-N 130.29 4.744 . . . . 23.87 111.089 175.741 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -49.46 -59.27 3.89 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 126.593 1.957 . . . . 21.28 112.277 167.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -53.89 -45.16 62.94 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 O-C-N 118.406 -2.684 . . . . 18.18 111.17 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.77 -42.49 89.06 Favored 'General case' 0 C--O 1.261 1.683 1 CA-C-O 110.445 -4.597 . . . . 39.11 111.426 177.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -60.97 -44.94 96.62 Favored 'General case' 0 C--O 1.279 2.614 0 O-C-N 126.986 2.679 . . . . 33.77 112.36 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -68.61 -31.9 71.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.381 -1.449 . . . . 48.3 112.933 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -71.32 -38.9 71.68 Favored 'General case' 0 C--O 1.265 1.879 0 O-C-N 125.086 1.491 . . . . 31.82 108.254 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -76.22 -22.02 55.73 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-N 119.936 1.244 . . . . 54.23 113.318 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.03 -54.5 25.21 Favored 'General case' 0 C--O 1.262 1.761 1 CA-C-O 105.446 -6.978 . . . . 59.27 112.875 166.915 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 1 CA-C-N 127.327 4.603 . . . . 48.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.215 1 N-CA-C 102.736 -4.146 . . . . 32.45 102.736 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 29.7 mm -51.3 -45.84 33.1 Favored 'Isoleucine or valine' 0 C--O 1.275 2.447 0 O-C-N 126.536 1.962 . . . . 33.88 114.16 -170.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.04 97.56 Favored Glycine 1 CA--C 1.591 4.83 0 O-C-N 120.291 -1.506 . . . . 24.09 113.067 -171.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.11 -46.82 64.02 Favored 'General case' 0 C--N 1.272 -2.774 0 CA-C-O 112.913 -3.422 . . . . 27.69 104.33 -178.751 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.47 -54.08 7.51 Favored 'Isoleucine or valine' 0 C--O 1.277 2.542 1 O-C-N 129.293 4.121 . . . . 22.41 113.119 172.78 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.1 -38.48 73.43 Favored 'General case' 0 C--N 1.402 2.877 0 O-C-N 116.339 -3.976 . . . . 20.72 113.254 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . 0.272 51.6 tttt -71.42 -34.61 70.47 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 114.256 -2.977 . . . . 53.62 108.028 -169.79 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.6 t -65.73 -44.38 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.181 0 O-C-N 128.08 3.362 . . . . 28.23 108.287 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . 0.279 43.8 mt -59.42 -47.82 84.01 Favored 'General case' 0 C--O 1.28 2.662 0 CA-C-N 121.011 1.732 . . . . 23.58 113.888 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -60.41 -41.67 94.39 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.863 2.465 . . . . 32.91 107.868 -174.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -87.41 -36.46 17.72 Favored 'General case' 0 CA--C 1.559 1.324 0 O-C-N 128.822 3.826 . . . . 38.37 108.168 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.57 -24.02 11.55 Favored Glycine 0 C--O 1.265 2.091 0 O-C-N 127.178 2.798 . . . . 22.53 111.606 -161.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.25 -41.89 77.51 Favored Pre-proline 0 C--O 1.273 2.339 0 CA-C-O 114.278 -2.773 . . . . 37.4 115.762 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -55.36 -46.38 32.97 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 CA-C-N 126.893 3.498 . . . . 23.0 111.402 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.74 85.33 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.947 1.356 . . . . 22.26 113.286 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.37 -48.94 77.55 Favored 'General case' 0 C--O 1.251 1.178 0 N-CA-C 106.132 -1.803 . . . . 31.46 106.132 179.756 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.61 -45.84 93.76 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.148 0 O-C-N 125.635 1.834 . . . . 20.77 107.727 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.1 m -59.13 -45.09 91.84 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.27 -0.894 . . . . 30.58 109.292 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.24 -51.11 70.97 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 126.995 2.685 . . . . 20.44 108.534 -173.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 87.4 mt -60.39 -46.01 95.79 Favored 'Isoleucine or valine' 0 C--O 1.293 3.381 0 O-C-N 118.878 -2.389 . . . . 19.42 109.239 -176.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -55.64 -50.27 70.64 Favored 'General case' 0 C--O 1.276 2.459 0 O-C-N 119.054 -2.279 . . . . 48.93 114.236 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 mtm105 -50.3 -58.2 6.17 Favored 'General case' 0 C--O 1.304 3.929 0 N-CA-C 117.23 2.307 . . . . 64.86 117.23 168.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -44.44 21.61 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.35 2.26 . . . . 50.38 113.58 173.034 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . 0.402 ' NE ' ' O ' ' B' ' 32' ' ' HOH . 11.8 mmm180 -63.55 -38.63 91.87 Favored 'General case' 0 C--O 1.265 1.872 0 C-N-CA 122.486 0.314 . . . . 32.18 111.124 179.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.42 -17.88 64.88 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 122.007 -0.433 . . . . 68.36 111.649 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -109.68 165.21 11.86 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 114.587 -2.625 . . . . 56.64 106.26 -163.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 1 O-C-N 133.325 6.641 . . . . 46.88 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . 0.402 ' O ' ' NE ' ' B' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.979 -0.448 . . . . 35.82 111.979 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.94 -30.26 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 106.776 -1.564 . . . . 32.439999999999998 106.776 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.54 -40.19 78.47 Favored Glycine 1 CA--C 1.581 4.173 0 N-CA-C 103.343 -3.903 . . . . 22.859999999999999 103.343 -167.503 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.71 75.08 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 128.011 2.83 . . . . 22.969999999999999 109.837 -174.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.4 -43.05 93.13 Favored 'Isoleucine or valine' 0 C--O 1.271 2.189 0 CA-C-O 126.544 3.068 . . . . 23.059999999999999 109.927 177.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 10' ' ' THR 0.339 55.5 tp -61.15 -45.12 95.94 Favored 'General case' 1 C--O 1.307 4.089 0 O-C-N 117.648 -3.158 . . . . 29.309999999999999 113.19 176.037 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.39 -39.06 89.29 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 116.875 -3.64 . . . . 55.469999999999999 112.856 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.252 31.7 m -64.21 -38.72 83.22 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 O-C-N 124.022 0.826 . . . . 27.949999999999999 112.701 176.075 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.29 -33.43 67.66 Favored 'General case' 1 C--O 1.308 4.156 0 C-N-CA 116.03 -2.268 . . . . 24.09 113.357 172.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.6 p -86.68 -21.73 26.51 Favored 'General case' 0 C--O 1.276 2.46 0 C-N-CA 119.001 -1.079 . . . . 31.199999999999999 112.122 -174.508 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.9 p -130.92 -41.83 1.13 Allowed 'General case' 0 N--CA 1.51 2.525 0 C-N-CA 115.253 -2.579 . . . . 31.219999999999999 111.277 -175.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.35 -32.8 21.73 Favored Glycine 0 N--CA 1.516 3.996 0 CA-C-O 113.705 -3.83 . . . . 24.449999999999999 109.208 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -45.98 92.55 Favored Pre-proline 0 C--O 1.284 2.898 0 CA-C-N 123.716 3.758 . . . . 27.530000000000001 116.472 179.602 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -53.87 -46.34 34.4 Favored 'Trans proline' 0 C--N 1.295 -2.284 0 C-N-CA 123.684 2.923 . . . . 18.98 113.704 172.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.73 84.08 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 117.622 -1.18 . . . . 19.579999999999998 109.455 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.7 -40.75 80.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 114.022 1.119 . . . . 27.800000000000001 114.022 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mt -58.49 -48.66 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 CA-C-O 112.166 -3.778 . . . . 27.0 111.933 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 t -59.75 -46.13 90.1 Favored 'General case' 0 C--N 1.279 -2.481 1 O-C-N 130.29 4.744 . . . . 23.870000000000001 111.089 175.741 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -49.46 -59.27 3.89 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 126.593 1.957 . . . . 21.280000000000001 112.277 167.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -53.89 -45.16 62.94 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 O-C-N 118.406 -2.684 . . . . 18.18 111.17 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.77 -42.49 89.06 Favored 'General case' 0 C--O 1.261 1.683 1 CA-C-O 110.445 -4.597 . . . . 39.109999999999999 111.426 177.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -60.97 -44.94 96.62 Favored 'General case' 0 C--O 1.279 2.614 0 O-C-N 126.986 2.679 . . . . 33.770000000000003 112.36 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -68.61 -31.9 71.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.381 -1.449 . . . . 48.299999999999997 112.933 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -71.32 -38.9 71.68 Favored 'General case' 0 C--O 1.265 1.879 0 O-C-N 125.086 1.491 . . . . 31.82 108.254 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -76.22 -22.02 55.73 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-N 119.936 1.244 . . . . 54.229999999999997 113.318 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.03 -54.5 25.21 Favored 'General case' 0 C--O 1.262 1.761 1 CA-C-O 105.446 -6.978 . . . . 59.270000000000003 112.875 166.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 1 CA-C-N 127.327 4.603 . . . . 48.710000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.215 1 N-CA-C 102.736 -4.146 . . . . 32.450000000000003 102.736 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 29.7 mm -51.3 -45.84 33.1 Favored 'Isoleucine or valine' 0 C--O 1.275 2.447 0 O-C-N 126.536 1.962 . . . . 33.880000000000003 114.16 -170.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.04 97.56 Favored Glycine 1 CA--C 1.591 4.83 0 O-C-N 120.291 -1.506 . . . . 24.09 113.067 -171.506 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.11 -46.82 64.02 Favored 'General case' 0 C--N 1.272 -2.774 0 CA-C-O 112.913 -3.422 . . . . 27.690000000000001 104.33 -178.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.47 -54.08 7.51 Favored 'Isoleucine or valine' 0 C--O 1.277 2.542 1 O-C-N 129.293 4.121 . . . . 22.41 113.119 172.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.1 -38.48 73.43 Favored 'General case' 0 C--N 1.402 2.877 0 O-C-N 116.339 -3.976 . . . . 20.719999999999999 113.254 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . 0.272 51.6 tttt -71.42 -34.61 70.47 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 114.256 -2.977 . . . . 53.619999999999997 108.028 -169.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.6 t -65.73 -44.38 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.181 0 O-C-N 128.08 3.362 . . . . 28.23 108.287 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . 0.279 43.8 mt -59.42 -47.82 84.01 Favored 'General case' 0 C--O 1.28 2.662 0 CA-C-N 121.011 1.732 . . . . 23.579999999999998 113.888 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -60.41 -41.67 94.39 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.863 2.465 . . . . 32.909999999999997 107.868 -174.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -87.41 -36.46 17.72 Favored 'General case' 0 CA--C 1.559 1.324 0 O-C-N 128.822 3.826 . . . . 38.369999999999997 108.168 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.57 -24.02 11.55 Favored Glycine 0 C--O 1.265 2.091 0 O-C-N 127.178 2.798 . . . . 22.530000000000001 111.606 -161.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.25 -41.89 77.51 Favored Pre-proline 0 C--O 1.273 2.339 0 CA-C-O 114.278 -2.773 . . . . 37.399999999999999 115.762 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -55.36 -46.38 32.97 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 CA-C-N 126.893 3.498 . . . . 23.0 111.402 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.74 85.33 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.947 1.356 . . . . 22.260000000000002 113.286 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . 0.501 HD22 HG13 ' B' ' 20' ' ' ILE . 0.0 OUTLIER -62.37 -48.94 77.55 Favored 'General case' 0 C--O 1.251 1.178 0 N-CA-C 106.132 -1.803 . . . . 31.460000000000001 106.132 179.756 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.61 -45.84 93.76 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.148 0 O-C-N 125.635 1.834 . . . . 20.77 107.727 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.1 m -59.13 -45.09 91.84 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.27 -0.894 . . . . 30.579999999999998 109.292 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.24 -51.11 70.97 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 126.995 2.685 . . . . 20.440000000000001 108.534 -173.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . 0.501 HG13 HD22 ' B' ' 16' ' ' LEU . 87.4 mt -60.39 -46.01 95.79 Favored 'Isoleucine or valine' 0 C--O 1.293 3.381 0 O-C-N 118.878 -2.389 . . . . 19.420000000000002 109.239 -176.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -55.64 -50.27 70.64 Favored 'General case' 0 C--O 1.276 2.459 0 O-C-N 119.054 -2.279 . . . . 48.93 114.236 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 mtm105 -50.3 -58.2 6.17 Favored 'General case' 0 C--O 1.304 3.929 0 N-CA-C 117.23 2.307 . . . . 64.859999999999999 117.23 168.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -44.44 21.61 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.35 2.26 . . . . 50.380000000000003 113.58 173.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -63.55 -38.63 91.87 Favored 'General case' 0 C--O 1.265 1.872 0 C-N-CA 122.486 0.314 . . . . 32.18 111.124 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.42 -17.88 64.88 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 122.007 -0.433 . . . . 68.359999999999999 111.649 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -109.68 165.21 11.86 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 114.587 -2.625 . . . . 56.640000000000001 106.26 -163.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 1 O-C-N 133.325 6.641 . . . . 46.880000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.979 -0.448 . . . . 35.82 111.979 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.6 mm -63.94 -30.26 49.5 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.088 0 N-CA-C 106.776 -1.564 . . . . 32.439999999999998 106.776 172.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -69.54 -40.19 78.47 Favored Glycine 1 CA--C 1.581 4.173 0 N-CA-C 103.343 -3.903 . . . . 22.859999999999999 103.343 -167.503 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.24 -44.71 75.08 Favored 'General case' 0 N--CA 1.516 2.86 0 O-C-N 128.011 2.83 . . . . 22.969999999999999 109.837 -174.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.2 t -60.4 -43.05 93.13 Favored 'Isoleucine or valine' 0 C--O 1.271 2.189 0 CA-C-O 126.544 3.068 . . . . 23.059999999999999 109.927 177.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.755 ' O ' HG23 ' A' ' 10' ' ' THR 0.339 55.5 tp -61.15 -45.12 95.94 Favored 'General case' 1 C--O 1.307 4.089 0 O-C-N 117.648 -3.158 . . . . 29.309999999999999 113.19 176.037 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -61.39 -39.06 89.29 Favored 'General case' 0 CA--C 1.552 1.049 0 O-C-N 116.875 -3.64 . . . . 55.469999999999999 112.856 177.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . 0.252 31.7 m -64.21 -38.72 83.22 Favored 'Isoleucine or valine' 0 C--O 1.275 2.425 0 O-C-N 124.022 0.826 . . . . 27.949999999999999 112.701 176.075 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.7 mt -57.29 -33.43 67.66 Favored 'General case' 1 C--O 1.308 4.156 0 C-N-CA 116.03 -2.268 . . . . 24.09 113.357 172.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 6' ' ' LEU . 1.6 p -86.68 -21.73 26.51 Favored 'General case' 0 C--O 1.276 2.46 0 C-N-CA 119.001 -1.079 . . . . 31.199999999999999 112.122 -174.508 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.9 p -130.92 -41.83 1.13 Allowed 'General case' 0 N--CA 1.51 2.525 0 C-N-CA 115.253 -2.579 . . . . 31.219999999999999 111.277 -175.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.35 -32.8 21.73 Favored Glycine 0 N--CA 1.516 3.996 0 CA-C-O 113.705 -3.83 . . . . 24.449999999999999 109.208 -174.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -45.98 92.55 Favored Pre-proline 0 C--O 1.284 2.898 0 CA-C-N 123.716 3.758 . . . . 27.530000000000001 116.472 179.602 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -53.87 -46.34 34.4 Favored 'Trans proline' 0 C--N 1.295 -2.284 0 C-N-CA 123.684 2.923 . . . . 18.98 113.704 172.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.75 -40.73 84.08 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 117.622 -1.18 . . . . 19.579999999999998 109.455 179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.7 -40.75 80.21 Favored 'General case' 0 C--N 1.301 -1.525 0 N-CA-C 114.022 1.119 . . . . 27.800000000000001 114.022 173.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 25.7 mt -58.49 -48.66 84.73 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 CA-C-O 112.166 -3.778 . . . . 27.0 111.933 176.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.8 t -59.75 -46.13 90.1 Favored 'General case' 0 C--N 1.279 -2.481 1 O-C-N 130.29 4.744 . . . . 23.870000000000001 111.089 175.741 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -49.46 -59.27 3.89 Favored 'General case' 0 C--O 1.294 3.426 0 C-N-CA 126.593 1.957 . . . . 21.280000000000001 112.277 167.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.3 mt -53.89 -45.16 62.94 Favored 'Isoleucine or valine' 0 C--O 1.257 1.459 0 O-C-N 118.406 -2.684 . . . . 18.18 111.17 -178.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.77 -42.49 89.06 Favored 'General case' 0 C--O 1.261 1.683 1 CA-C-O 110.445 -4.597 . . . . 39.109999999999999 111.426 177.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.6 mtm-85 -60.97 -44.94 96.62 Favored 'General case' 0 C--O 1.279 2.614 0 O-C-N 126.986 2.679 . . . . 33.770000000000003 112.36 176.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -68.61 -31.9 71.4 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.381 -1.449 . . . . 48.299999999999997 112.933 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -71.32 -38.9 71.68 Favored 'General case' 0 C--O 1.265 1.879 0 O-C-N 125.086 1.491 . . . . 31.82 108.254 179.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -76.22 -22.02 55.73 Favored 'General case' 0 C--N 1.283 -2.288 0 CA-C-N 119.936 1.244 . . . . 54.229999999999997 113.318 179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.03 -54.5 25.21 Favored 'General case' 0 C--O 1.262 1.761 1 CA-C-O 105.446 -6.978 . . . . 59.270000000000003 112.875 166.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 1 CA-C-N 127.327 4.603 . . . . 48.710000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.215 1 N-CA-C 102.736 -4.146 . . . . 32.450000000000003 102.736 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ILE . . . . . . . . . . . . . 29.7 mm -51.3 -45.84 33.1 Favored 'Isoleucine or valine' 0 C--O 1.275 2.447 0 O-C-N 126.536 1.962 . . . . 33.880000000000003 114.16 -170.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -62.93 -39.04 97.56 Favored Glycine 1 CA--C 1.591 4.83 0 O-C-N 120.291 -1.506 . . . . 24.09 113.067 -171.506 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . 0.27 . . -70.11 -46.82 64.02 Favored 'General case' 0 C--N 1.272 -2.774 0 CA-C-O 112.913 -3.422 . . . . 27.690000000000001 104.33 -178.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 95.0 t -49.47 -54.08 7.51 Favored 'Isoleucine or valine' 0 C--O 1.277 2.542 1 O-C-N 129.293 4.121 . . . . 22.41 113.119 172.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 80.1 mt -57.1 -38.48 73.43 Favored 'General case' 0 C--N 1.402 2.877 0 O-C-N 116.339 -3.976 . . . . 20.719999999999999 113.254 176.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . 0.272 51.6 tttt -71.42 -34.61 70.47 Favored 'General case' 0 N--CA 1.51 2.556 0 C-N-CA 114.256 -2.977 . . . . 53.619999999999997 108.028 -169.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 41.6 t -65.73 -44.38 93.28 Favored 'Isoleucine or valine' 0 N--CA 1.523 3.181 0 O-C-N 128.08 3.362 . . . . 28.23 108.287 178.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . 0.279 43.8 mt -59.42 -47.82 84.01 Favored 'General case' 0 C--O 1.28 2.662 0 CA-C-N 121.011 1.732 . . . . 23.579999999999998 113.888 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 36.5 m -60.41 -41.67 94.39 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 127.863 2.465 . . . . 32.909999999999997 107.868 -174.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 1.1 m -87.41 -36.46 17.72 Favored 'General case' 0 CA--C 1.559 1.324 0 O-C-N 128.822 3.826 . . . . 38.369999999999997 108.168 -173.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . -98.57 -24.02 11.55 Favored Glycine 0 C--O 1.265 2.091 0 O-C-N 127.178 2.798 . . . . 22.530000000000001 111.606 -161.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.25 -41.89 77.51 Favored Pre-proline 0 C--O 1.273 2.339 0 CA-C-O 114.278 -2.773 . . . . 37.399999999999999 115.762 179.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -55.36 -46.38 32.97 Favored 'Trans proline' 0 C--N 1.301 -1.935 0 CA-C-N 126.893 3.498 . . . . 23.0 111.402 -179.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -37.74 85.33 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 122.947 1.356 . . . . 22.260000000000002 113.286 178.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.501 HD22 HG13 ' B' ' 20' ' ' ILE . 0.0 OUTLIER -62.37 -48.94 77.55 Favored 'General case' 0 C--O 1.251 1.178 0 N-CA-C 106.132 -1.803 . . . . 31.460000000000001 106.132 179.756 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 57.3 mt -59.61 -45.84 93.76 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.148 0 O-C-N 125.635 1.834 . . . . 20.77 107.727 -176.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 13.1 m -59.13 -45.09 91.84 Favored 'General case' 0 C--N 1.306 -1.287 0 O-C-N 121.27 -0.894 . . . . 30.579999999999998 109.292 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -60.24 -51.11 70.97 Favored 'General case' 0 C--O 1.255 1.386 0 O-C-N 126.995 2.685 . . . . 20.440000000000001 108.534 -173.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.501 HG13 HD22 ' B' ' 16' ' ' LEU . 87.4 mt -60.39 -46.01 95.79 Favored 'Isoleucine or valine' 0 C--O 1.293 3.381 0 O-C-N 118.878 -2.389 . . . . 19.420000000000002 109.239 -176.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.5 mttt -55.64 -50.27 70.64 Favored 'General case' 0 C--O 1.276 2.459 0 O-C-N 119.054 -2.279 . . . . 48.93 114.236 175.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 9.2 mtm105 -50.3 -58.2 6.17 Favored 'General case' 0 C--O 1.304 3.929 0 N-CA-C 117.23 2.307 . . . . 64.859999999999999 117.23 168.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.13 -44.44 21.61 Favored 'General case' 0 C--N 1.28 -2.439 0 C-N-CA 127.35 2.26 . . . . 50.380000000000003 113.58 173.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -63.55 -38.63 91.87 Favored 'General case' 0 C--O 1.265 1.872 0 C-N-CA 122.486 0.314 . . . . 32.18 111.124 179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -65.42 -17.88 64.88 Favored 'General case' 0 C--O 1.257 1.484 0 O-C-N 122.007 -0.433 . . . . 68.359999999999999 111.649 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -109.68 165.21 11.86 Favored 'General case' 0 C--O 1.252 1.226 0 CA-C-O 114.587 -2.625 . . . . 56.640000000000001 106.26 -163.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.479 1 O-C-N 133.325 6.641 . . . . 46.880000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_