data_1ifm_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 1ifm _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 C--O 1.261 1.793 0 CA-C-O 119.812 -0.438 . . . . 10.0 113.174 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 t -42.24 -52.38 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 127.507 2.323 . . . . 10.0 115.364 -171.333 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -71.34 -39.39 72.06 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 CA-C-O 123.022 1.392 . . . . 10.0 108.368 -165.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -30.93 71.98 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-N 108.919 -3.764 . . . . 10.0 108.525 -179.218 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.2 m -86.8 -16.91 34.79 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 113.129 -1.851 . . . . 10.0 112.968 177.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -69.4 -33.16 72.59 Favored 'General case' 0 C--O 1.258 1.5 0 C-N-CA 118.767 -1.173 . . . . 10.0 110.099 167.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.38 65.99 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 125.147 1.529 . . . . 10.0 111.4 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.3 t -59.56 -52.19 63.92 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 O-C-N 125.278 1.612 . . . . 10.0 110.183 173.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -55.95 -37.76 69.42 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 125.87 1.981 . . . . 10.0 110.62 179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -64.98 -50.05 67.84 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 125.688 1.867 . . . . 10.0 112.737 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.72 66.17 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 124.056 0.847 . . . . 10.0 113.056 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.69 -39.57 78.27 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 O-C-N 125.742 1.901 . . . . 10.0 110.83 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.2 -49.78 75.84 Favored 'General case' 0 C--O 1.26 1.655 0 O-C-N 125.416 1.698 . . . . 10.0 112.003 175.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -56.4 -46.0 80.35 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 125.837 1.961 . . . . 10.0 108.341 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.73 -52.85 10.77 Favored Glycine 0 C--O 1.256 1.516 0 O-C-N 127.252 2.845 . . . . 10.0 113.163 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -70.95 -32.93 69.95 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 119.053 -1.059 . . . . 10.0 110.632 -173.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.8 -55.27 28.5 Favored Glycine 0 C--O 1.258 1.611 0 O-C-N 127.079 2.737 . . . . 10.0 108.855 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -53.22 -46.71 69.2 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 126.776 2.104 . . . . 10.0 111.841 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.0 mtm -59.59 -52.32 66.05 Favored 'General case' 0 C--O 1.259 1.576 0 O-C-N 126.823 2.577 . . . . 10.0 114.032 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -70.7 -25.18 62.85 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 116.799 -1.96 . . . . 10.0 111.134 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -56.76 8.23 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 111.918 -2.401 . . . . 10.0 111.06 176.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -59.64 -45.74 93.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 O-C-N 125.234 1.584 . . . . 10.0 109.54 -175.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.06 -38.3 92.81 Favored Glycine 0 C--O 1.259 1.669 0 O-C-N 127.482 2.989 . . . . 10.0 110.671 -178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.57 -52.52 51.4 Favored Glycine 0 C--O 1.256 1.483 0 O-C-N 126.033 1.666 . . . . 10.0 112.157 168.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -32.25 73.63 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.424 1.638 . . . . 10.0 115.424 -175.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.84 -41.57 67.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 113.527 -1.67 . . . . 10.0 111.271 168.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.4 t -67.13 -31.72 54.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 117.994 -1.482 . . . . 10.0 111.354 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.81 -40.2 89.03 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 125.917 2.011 . . . . 10.0 110.793 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.71 77.36 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 125.765 1.509 . . . . 10.0 111.344 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.69 -35.67 72.99 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 125.4 1.688 . . . . 10.0 114.291 -178.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 t -70.1 -48.14 63.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 125.124 1.515 . . . . 10.0 109.323 -176.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.8 -39.75 32.54 Favored 'Isoleucine or valine' 0 C--O 1.26 1.619 0 O-C-N 126.038 2.086 . . . . 10.0 112.342 173.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.22 -58.83 5.88 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 126.511 2.382 . . . . 10.0 108.802 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.49 -55.67 8.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 128.853 3.846 . . . . 10.0 113.361 -176.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.8 t -68.17 -32.67 56.91 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 110.64 -2.982 . . . . 10.0 110.427 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.97 -26.62 66.02 Favored 'General case' 0 C--O 1.259 1.568 0 C-N-CA 118.036 -1.466 . . . . 10.0 110.731 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.14 -35.17 88.27 Favored Glycine 0 C--O 1.251 1.158 0 CA-C-N 113.44 -1.709 . . . . 10.0 113.791 170.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 mt -70.75 -29.86 66.22 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 117.798 -1.096 . . . . 10.0 112.21 -174.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.25 -43.01 50.89 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 O-C-N 126.861 2.601 . . . . 10.0 110.05 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -53.75 -36.06 61.92 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 112.665 -2.061 . . . . 10.0 108.947 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -75.56 -23.72 56.6 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.115 -1.034 . . . . 10.0 113.706 175.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 tpt -77.43 -32.77 54.85 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 117.592 -1.643 . . . . 10.0 113.538 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.08 -52.6 40.08 Favored 'General case' 0 C--O 1.253 1.277 0 CA-C-N 112.428 -2.169 . . . . 10.0 112.933 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -41.65 -44.43 3.11 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.338 1.855 . . . . 10.0 110.913 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -79.47 -59.58 2.7 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 127.48 2.987 . . . . 10.0 112.459 -170.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 O-C-N 124.943 1.402 . . . . 10.0 114.337 -177.964 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.793 0 CA-C-O 119.812 -0.438 . . . . 10.0 113.174 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 t -42.24 -52.38 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 127.507 2.323 . . . . 10.0 115.364 -171.333 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -71.34 -39.39 72.06 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 CA-C-O 123.022 1.392 . . . . 10.0 108.368 -165.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -30.93 71.98 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-N 108.919 -3.764 . . . . 10.0 108.525 -179.218 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.427 ' HA ' HG23 ' A' ' 8' ' ' VAL . 47.2 m -86.8 -16.91 34.79 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 113.129 -1.851 . . . . 10.0 112.968 177.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . 0.524 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 68.0 m -69.4 -33.16 72.59 Favored 'General case' 0 C--O 1.258 1.5 0 C-N-CA 118.767 -1.173 . . . . 10.0 110.099 167.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.38 65.99 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 125.147 1.529 . . . . 10.0 111.4 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG23 ' HA ' ' A' ' 5' ' ' THR . 67.3 t -59.56 -52.19 63.92 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 O-C-N 125.278 1.612 . . . . 10.0 110.183 173.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' A' ' 6' ' ' SER . 28.5 mt-10 -55.95 -37.76 69.42 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 125.87 1.981 . . . . 10.0 110.62 179.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -64.98 -50.05 67.84 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 125.688 1.867 . . . . 10.0 112.737 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.72 66.17 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 124.056 0.847 . . . . 10.0 113.056 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.69 -39.57 78.27 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 O-C-N 125.742 1.901 . . . . 10.0 110.83 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.2 -49.78 75.84 Favored 'General case' 0 C--O 1.26 1.655 0 O-C-N 125.416 1.698 . . . . 10.0 112.003 175.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -56.4 -46.0 80.35 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 125.837 1.961 . . . . 10.0 108.341 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.73 -52.85 10.77 Favored Glycine 0 C--O 1.256 1.516 0 O-C-N 127.252 2.845 . . . . 10.0 113.163 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -70.95 -32.93 69.95 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 119.053 -1.059 . . . . 10.0 110.632 -173.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.8 -55.27 28.5 Favored Glycine 0 C--O 1.258 1.611 0 O-C-N 127.079 2.737 . . . . 10.0 108.855 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -53.22 -46.71 69.2 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 126.776 2.104 . . . . 10.0 111.841 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.0 mtm -59.59 -52.32 66.05 Favored 'General case' 0 C--O 1.259 1.576 0 O-C-N 126.823 2.577 . . . . 10.0 114.032 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -70.7 -25.18 62.85 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 116.799 -1.96 . . . . 10.0 111.134 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -56.76 8.23 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 111.918 -2.401 . . . . 10.0 111.06 176.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -59.64 -45.74 93.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 O-C-N 125.234 1.584 . . . . 10.0 109.54 -175.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . 0.633 ' HA2' HD12 ' A' ' 26' ' ' ILE . . . -59.06 -38.3 92.81 Favored Glycine 0 C--O 1.259 1.669 0 O-C-N 127.482 2.989 . . . . 10.0 110.671 -178.05 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.57 -52.52 51.4 Favored Glycine 0 C--O 1.256 1.483 0 O-C-N 126.033 1.666 . . . . 10.0 112.157 168.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -32.25 73.63 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.424 1.638 . . . . 10.0 115.424 -175.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . 0.633 HD12 ' HA2' ' A' ' 23' ' ' GLY . 69.0 mt -55.84 -41.57 67.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 113.527 -1.67 . . . . 10.0 111.271 168.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' A' ' 30' ' ' LEU . 27.4 t -67.13 -31.72 54.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 117.994 -1.482 . . . . 10.0 111.354 -178.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.81 -40.2 89.03 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 125.917 2.011 . . . . 10.0 110.793 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.71 77.36 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 125.765 1.509 . . . . 10.0 111.344 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 27' ' ' VAL . 43.9 mt -58.69 -35.67 72.99 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 125.4 1.688 . . . . 10.0 114.291 -178.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 27' ' ' VAL . 6.4 t -70.1 -48.14 63.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 125.124 1.515 . . . . 10.0 109.323 -176.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.8 -39.75 32.54 Favored 'Isoleucine or valine' 0 C--O 1.26 1.619 0 O-C-N 126.038 2.086 . . . . 10.0 112.342 173.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.22 -58.83 5.88 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 126.511 2.382 . . . . 10.0 108.802 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.49 -55.67 8.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 128.853 3.846 . . . . 10.0 113.361 -176.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.8 t -68.17 -32.67 56.91 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 110.64 -2.982 . . . . 10.0 110.427 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.97 -26.62 66.02 Favored 'General case' 0 C--O 1.259 1.568 0 C-N-CA 118.036 -1.466 . . . . 10.0 110.731 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.14 -35.17 88.27 Favored Glycine 0 C--O 1.251 1.158 0 CA-C-N 113.44 -1.709 . . . . 10.0 113.791 170.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 mt -70.75 -29.86 66.22 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 117.798 -1.096 . . . . 10.0 112.21 -174.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.25 -43.01 50.89 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 O-C-N 126.861 2.601 . . . . 10.0 110.05 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -53.75 -36.06 61.92 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 112.665 -2.061 . . . . 10.0 108.947 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -75.56 -23.72 56.6 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.115 -1.034 . . . . 10.0 113.706 175.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 tpt -77.43 -32.77 54.85 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 117.592 -1.643 . . . . 10.0 113.538 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.08 -52.6 40.08 Favored 'General case' 0 C--O 1.253 1.277 0 CA-C-N 112.428 -2.169 . . . . 10.0 112.933 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -41.65 -44.43 3.11 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.338 1.855 . . . . 10.0 110.913 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -79.47 -59.58 2.7 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 127.48 2.987 . . . . 10.0 112.459 -170.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 O-C-N 124.943 1.402 . . . . 10.0 114.337 -177.964 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.261 1.793 0 CA-C-O 119.812 -0.438 . . . . 10.0 113.174 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.8 t -42.24 -52.38 0.84 Allowed 'Isoleucine or valine' 0 C--O 1.26 1.618 0 C-N-CA 127.507 2.323 . . . . 10.0 115.364 -171.333 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 16.7 mt -71.34 -39.39 72.06 Favored 'Isoleucine or valine' 0 C--O 1.252 1.219 0 CA-C-O 123.022 1.392 . . . . 10.0 108.368 -165.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.59 -30.93 71.98 Favored 'General case' 0 C--N 1.288 -2.08 0 CA-C-N 108.919 -3.764 . . . . 10.0 108.525 -179.218 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.427 ' HA ' HG23 ' A' ' 8' ' ' VAL . 47.2 m -86.8 -16.91 34.79 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-N 113.129 -1.851 . . . . 10.0 112.968 177.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . 0.524 ' HA ' ' OE2' ' A' ' 9' ' ' GLU . 68.0 m -69.4 -33.16 72.59 Favored 'General case' 0 C--O 1.258 1.5 0 C-N-CA 118.767 -1.173 . . . . 10.0 110.099 167.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.51 -28.38 65.99 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 125.147 1.529 . . . . 10.0 111.4 177.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 HG23 ' HA ' ' A' ' 5' ' ' THR . 67.3 t -59.56 -52.19 63.92 Favored 'Isoleucine or valine' 0 C--O 1.254 1.304 0 O-C-N 125.278 1.612 . . . . 10.0 110.183 173.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' A' ' 6' ' ' SER . 28.5 mt-10 -55.95 -37.76 69.42 Favored 'General case' 0 C--O 1.256 1.446 0 O-C-N 125.87 1.981 . . . . 10.0 110.62 179.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.8 m -64.98 -50.05 67.84 Favored 'General case' 0 C--O 1.251 1.16 0 O-C-N 125.688 1.867 . . . . 10.0 112.737 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.57 -30.72 66.17 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 124.056 0.847 . . . . 10.0 113.056 -179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.8 mt -69.69 -39.57 78.27 Favored 'Isoleucine or valine' 0 C--O 1.254 1.313 0 O-C-N 125.742 1.901 . . . . 10.0 110.83 176.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.2 -49.78 75.84 Favored 'General case' 0 C--O 1.26 1.655 0 O-C-N 125.416 1.698 . . . . 10.0 112.003 175.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -56.4 -46.0 80.35 Favored 'General case' 0 C--O 1.255 1.373 0 O-C-N 125.837 1.961 . . . . 10.0 108.341 177.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -46.73 -52.85 10.77 Favored Glycine 0 C--O 1.256 1.516 0 O-C-N 127.252 2.845 . . . . 10.0 113.163 176.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -70.95 -32.93 69.95 Favored 'General case' 0 C--O 1.262 1.732 0 C-N-CA 119.053 -1.059 . . . . 10.0 110.632 -173.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -54.8 -55.27 28.5 Favored Glycine 0 C--O 1.258 1.611 0 O-C-N 127.079 2.737 . . . . 10.0 108.855 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -53.22 -46.71 69.2 Favored 'General case' 0 C--O 1.259 1.582 0 O-C-N 126.776 2.104 . . . . 10.0 111.841 -179.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.0 mtm -59.59 -52.32 66.05 Favored 'General case' 0 C--O 1.259 1.576 0 O-C-N 126.823 2.577 . . . . 10.0 114.032 -175.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -70.7 -25.18 62.85 Favored 'General case' 0 C--O 1.261 1.708 0 C-N-CA 116.799 -1.96 . . . . 10.0 111.134 -172.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.53 -56.76 8.23 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 111.918 -2.401 . . . . 10.0 111.06 176.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.3 mt -59.64 -45.74 93.94 Favored 'Isoleucine or valine' 0 C--O 1.261 1.689 0 O-C-N 125.234 1.584 . . . . 10.0 109.54 -175.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.633 ' HA2' HD12 ' A' ' 26' ' ' ILE . . . -59.06 -38.3 92.81 Favored Glycine 0 C--O 1.259 1.669 0 O-C-N 127.482 2.989 . . . . 10.0 110.671 -178.05 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.57 -52.52 51.4 Favored Glycine 0 C--O 1.256 1.483 0 O-C-N 126.033 1.666 . . . . 10.0 112.157 168.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -32.25 73.63 Favored 'General case' 0 C--O 1.255 1.382 0 N-CA-C 115.424 1.638 . . . . 10.0 115.424 -175.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.633 HD12 ' HA2' ' A' ' 23' ' ' GLY . 69.0 mt -55.84 -41.57 67.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 113.527 -1.67 . . . . 10.0 111.271 168.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' A' ' 30' ' ' LEU . 27.4 t -67.13 -31.72 54.51 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 C-N-CA 117.994 -1.482 . . . . 10.0 111.354 -178.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -56.81 -40.2 89.03 Favored Glycine 0 C--O 1.245 0.79 0 O-C-N 125.917 2.011 . . . . 10.0 110.793 176.81 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.71 77.36 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 125.765 1.509 . . . . 10.0 111.344 178.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 27' ' ' VAL . 43.9 mt -58.69 -35.67 72.99 Favored 'General case' 0 C--O 1.255 1.38 0 O-C-N 125.4 1.688 . . . . 10.0 114.291 -178.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 27' ' ' VAL . 6.4 t -70.1 -48.14 63.96 Favored 'Isoleucine or valine' 0 C--O 1.256 1.443 0 O-C-N 125.124 1.515 . . . . 10.0 109.323 -176.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -52.8 -39.75 32.54 Favored 'Isoleucine or valine' 0 C--O 1.26 1.619 0 O-C-N 126.038 2.086 . . . . 10.0 112.342 173.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.1 mt -63.22 -58.83 5.88 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 126.511 2.382 . . . . 10.0 108.802 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.49 -55.67 8.61 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 128.853 3.846 . . . . 10.0 113.361 -176.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 50.8 t -68.17 -32.67 56.91 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 110.64 -2.982 . . . . 10.0 110.427 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.97 -26.62 66.02 Favored 'General case' 0 C--O 1.259 1.568 0 C-N-CA 118.036 -1.466 . . . . 10.0 110.731 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.14 -35.17 88.27 Favored Glycine 0 C--O 1.251 1.158 0 CA-C-N 113.44 -1.709 . . . . 10.0 113.791 170.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.0 mt -70.75 -29.86 66.22 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 117.798 -1.096 . . . . 10.0 112.21 -174.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 70.4 mt -74.25 -43.01 50.89 Favored 'Isoleucine or valine' 0 C--O 1.26 1.611 0 O-C-N 126.861 2.601 . . . . 10.0 110.05 179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -53.75 -36.06 61.92 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-N 112.665 -2.061 . . . . 10.0 108.947 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -75.56 -23.72 56.6 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.115 -1.034 . . . . 10.0 113.706 175.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 tpt -77.43 -32.77 54.85 Favored 'General case' 0 C--O 1.267 2.021 0 C-N-CA 117.592 -1.643 . . . . 10.0 113.538 -175.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.8 mt -67.08 -52.6 40.08 Favored 'General case' 0 C--O 1.253 1.277 0 CA-C-N 112.428 -2.169 . . . . 10.0 112.933 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -41.65 -44.43 3.11 Favored 'General case' 0 C--O 1.262 1.74 0 C-N-CA 126.338 1.855 . . . . 10.0 110.913 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -79.47 -59.58 2.7 Favored 'General case' 0 C--O 1.259 1.59 0 O-C-N 127.48 2.987 . . . . 10.0 112.459 -170.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.203 0 O-C-N 124.943 1.402 . . . . 10.0 114.337 -177.964 . . . . . . . . 0 0 . 1 stop_ save_