data_2xdc_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 2xdc _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' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.34 -139.4 33.78 Favored Glycine 0 N--CA 1.475 1.289 0 C-N-CA 119.226 -1.464 . . . . 14.7 109.765 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.97 120.97 5.65 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.515 -0.874 . . . . 19.87 110.059 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.4 111.14 3.55 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 104.593 -2.373 . . . . 15.95 104.593 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 m -142.69 106.64 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 N-CA-C 109.465 -0.569 . . . . 24.46 109.465 -171.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -161.67 113.52 1.75 Allowed 'General case' 0 C--O 1.26 1.624 0 N-CA-C 107.383 -1.34 . . . . 20.82 107.383 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -154.42 99.69 2.22 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.145 -1.388 . . . . 15.77 108.475 -170.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -160.05 93.44 1.06 Allowed 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.691 -0.803 . . . . 37.88 108.904 -173.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -166.14 92.09 0.48 Allowed 'General case' 0 C--O 1.244 0.808 0 CA-C-O 122.148 0.975 . . . . 26.71 108.851 -175.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1017 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1018 ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.32 -142.25 33.81 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 108.386 -1.885 . . . . 15.92 108.386 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.56 118.17 5.73 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 108.616 -0.883 . . . . 18.2 108.616 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.69 108.35 2.9 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 105.725 -1.954 . . . . 15.03 105.725 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.9 m -141.88 115.03 4.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.779 -0.822 . . . . 22.3 108.779 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -158.51 113.27 2.55 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.641 -1.624 . . . . 19.67 107.995 -177.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -158.03 95.95 1.43 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 106.847 -1.538 . . . . 17.4 106.847 -168.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -157.92 97.12 1.53 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 106.999 -1.482 . . . . 37.2 106.999 -172.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -164.53 96.78 0.77 Allowed 'General case' 0 C--O 1.249 1.067 0 N-CA-C 107.27 -1.381 . . . . 25.25 107.27 -174.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.3 151.89 52.08 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 111.986 -0.445 . . . . 16.65 111.986 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.87 141.2 36.63 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 119.034 -1.066 . . . . 18.62 112.329 169.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.1 96.31 1.32 Allowed 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 121.408 -0.808 . . . . 18.32 109.247 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 82.1 t -136.66 123.93 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 107.326 -1.361 . . . . 22.29 107.326 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -160.66 111.08 1.78 Allowed 'General case' 0 C--O 1.25 1.127 0 N-CA-C 107.502 -1.296 . . . . 16.3 107.502 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -162.3 95.63 0.94 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 104.129 -2.545 . . . . 36.35 104.129 -171.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -153.75 123.19 6.62 Favored 'General case' 0 C--O 1.276 2.466 0 N-CA-C 108.08 -1.082 . . . . 22.57 108.08 177.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -164.37 84.83 0.43 Allowed 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.19 -1.411 . . . . 26.95 107.19 -175.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.97 -136.76 19.5 Favored Glycine 0 C--O 1.209 -1.442 0 C-N-CA 117.94 -2.076 . . . . 14.33 114.309 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.6 99.59 3.02 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 105.74 -1.948 . . . . 17.94 105.74 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.36 126.12 7.62 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.138 -1.025 . . . . 17.66 110.257 -176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -159.85 111.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 O-C-N 124.266 0.979 . . . . 20.43 109.284 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -157.94 107.86 2.13 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 106.59 -1.633 . . . . 37.44 106.59 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -156.06 119.05 4.21 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.716 -1.194 . . . . 20.65 109.725 178.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -151.83 84.66 1.29 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.837 0.827 . . . . 35.01 109.011 -175.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -149.27 106.16 3.57 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.041 -1.096 . . . . 30.27 108.041 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.24 157.06 52.68 Favored Glycine 0 N--CA 1.47 0.956 0 C-N-CA 120.508 -0.853 . . . . 18.08 114.329 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.11 137.0 24.41 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.321 -1.363 . . . . 19.13 107.321 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.48 97.03 1.71 Allowed 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 105.498 -2.038 . . . . 16.92 105.498 -176.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 81.1 t -137.99 120.04 18.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 108.264 -1.013 . . . . 22.5 108.264 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 34.0 t90 -163.86 109.42 1.05 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.67 -1.233 . . . . 19.04 107.67 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -160.11 97.67 1.27 Allowed 'General case' 0 C--O 1.239 0.548 0 N-CA-C 104.92 -2.252 . . . . 38.59 104.92 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -155.09 120.78 5.07 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 108.336 -0.987 . . . . 21.24 108.336 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -166.8 85.89 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 106.968 -1.493 . . . . 28.32 106.968 -176.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.69 -135.13 18.75 Favored Glycine 0 C--O 1.216 -0.971 0 C-N-CA 118.533 -1.794 . . . . 15.16 113.48 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.94 101.39 3.17 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 107.421 -1.326 . . . . 17.71 107.421 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.79 122.74 5.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 119.662 -0.815 . . . . 16.96 108.982 -172.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -157.87 114.22 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.934 0 N-CA-C 109.555 -0.535 . . . . 20.91 109.555 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -154.11 106.74 2.84 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 122.153 0.978 . . . . 38.2 109.229 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' TRP . . . . . . . . . . . . . 23.2 t90 -157.15 116.18 3.33 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 119.233 -0.987 . . . . 21.95 108.417 179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -152.76 87.4 1.29 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.634 -0.876 . . . . 35.89 108.634 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -147.42 113.75 5.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.857 -1.164 . . . . 30.17 107.857 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.34 -139.4 33.78 Favored Glycine 0 N--CA 1.475 1.289 0 C-N-CA 119.226 -1.464 . . . . 14.699999999999999 109.765 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.97 120.97 5.65 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.515 -0.874 . . . . 19.870000000000001 110.059 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.4 111.14 3.55 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 104.593 -2.373 . . . . 15.949999999999999 104.593 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 m -142.69 106.64 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 N-CA-C 109.465 -0.569 . . . . 24.460000000000001 109.465 -171.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -161.67 113.52 1.75 Allowed 'General case' 0 C--O 1.26 1.624 0 N-CA-C 107.383 -1.34 . . . . 20.82 107.383 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -154.42 99.69 2.22 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.145 -1.388 . . . . 15.77 108.475 -170.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -160.05 93.44 1.06 Allowed 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.691 -0.803 . . . . 37.880000000000003 108.904 -173.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -166.14 92.09 0.48 Allowed 'General case' 0 C--O 1.244 0.808 0 CA-C-O 122.148 0.975 . . . . 26.710000000000001 108.851 -175.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1017 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1018 ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.32 -142.25 33.81 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 108.386 -1.885 . . . . 15.92 108.386 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.56 118.17 5.73 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 108.616 -0.883 . . . . 18.199999999999999 108.616 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.69 108.35 2.9 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 105.725 -1.954 . . . . 15.029999999999999 105.725 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.9 m -141.88 115.03 4.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.779 -0.822 . . . . 22.300000000000001 108.779 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -158.51 113.27 2.55 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.641 -1.624 . . . . 19.670000000000002 107.995 -177.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' TRP . . . . . 0.439 ' CZ2' ' H15' ' B' 1016 ' ' 15P . 15.7 t90 -158.03 95.95 1.43 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 106.847 -1.538 . . . . 17.399999999999999 106.847 -168.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -157.92 97.12 1.53 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 106.999 -1.482 . . . . 37.200000000000003 106.999 -172.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -164.53 96.78 0.77 Allowed 'General case' 0 C--O 1.249 1.067 0 N-CA-C 107.27 -1.381 . . . . 25.25 107.27 -174.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 1016 ' ' 15P . . . . . 0.439 ' H15' ' CZ2' ' B' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.3 151.89 52.08 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 111.986 -0.445 . . . . 16.649999999999999 111.986 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.87 141.2 36.63 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 119.034 -1.066 . . . . 18.620000000000001 112.329 169.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' DLE . . . . . 0.505 HD21 ' CE3' ' D' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.1 96.31 1.32 Allowed 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 121.408 -0.808 . . . . 18.32 109.247 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 82.1 t -136.66 123.93 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 107.326 -1.361 . . . . 22.289999999999999 107.326 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -160.66 111.08 1.78 Allowed 'General case' 0 C--O 1.25 1.127 0 N-CA-C 107.502 -1.296 . . . . 16.300000000000001 107.502 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 11' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -162.3 95.63 0.94 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 104.129 -2.545 . . . . 36.350000000000001 104.129 -171.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -153.75 123.19 6.62 Favored 'General case' 0 C--O 1.276 2.466 0 N-CA-C 108.08 -1.082 . . . . 22.57 108.08 177.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -164.37 84.83 0.43 Allowed 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.19 -1.411 . . . . 26.949999999999999 107.19 -175.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C 1016 ' ' 15P . . . . . 0.477 ' H13' ' H15' ' C' 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.97 -136.76 19.5 Favored Glycine 0 C--O 1.209 -1.442 0 C-N-CA 117.94 -2.076 . . . . 14.33 114.309 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.6 99.59 3.02 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 105.74 -1.948 . . . . 17.940000000000001 105.74 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.36 126.12 7.62 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.138 -1.025 . . . . 17.66 110.257 -176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -159.85 111.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 O-C-N 124.266 0.979 . . . . 20.43 109.284 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -157.94 107.86 2.13 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 106.59 -1.633 . . . . 37.439999999999998 106.59 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 11' ' ' TRP . . . . . 0.505 ' CE3' HD21 ' C' ' 4' ' ' DLE . 22.2 t90 -156.06 119.05 4.21 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.716 -1.194 . . . . 20.649999999999999 109.725 178.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -151.83 84.66 1.29 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.837 0.827 . . . . 35.009999999999998 109.011 -175.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -149.27 106.16 3.57 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.041 -1.096 . . . . 30.27 108.041 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.24 157.06 52.68 Favored Glycine 0 N--CA 1.47 0.956 0 C-N-CA 120.508 -0.853 . . . . 18.079999999999998 114.329 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.11 137.0 24.41 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.321 -1.363 . . . . 19.129999999999999 107.321 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' DLE . . . . . 0.474 HD11 ' CE3' ' F' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.48 97.03 1.71 Allowed 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 105.498 -2.038 . . . . 16.920000000000002 105.498 -176.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 81.1 t -137.99 120.04 18.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 108.264 -1.013 . . . . 22.5 108.264 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 34.0 t90 -163.86 109.42 1.05 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.67 -1.233 . . . . 19.039999999999999 107.67 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 11' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -160.11 97.67 1.27 Allowed 'General case' 0 C--O 1.239 0.548 0 N-CA-C 104.92 -2.252 . . . . 38.590000000000003 104.92 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -155.09 120.78 5.07 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 108.336 -0.987 . . . . 21.239999999999998 108.336 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -166.8 85.89 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 106.968 -1.493 . . . . 28.32 106.968 -176.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.69 -135.13 18.75 Favored Glycine 0 C--O 1.216 -0.971 0 C-N-CA 118.533 -1.794 . . . . 15.16 113.48 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.94 101.39 3.17 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 107.421 -1.326 . . . . 17.710000000000001 107.421 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.79 122.74 5.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 119.662 -0.815 . . . . 16.960000000000001 108.982 -172.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -157.87 114.22 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.934 0 N-CA-C 109.555 -0.535 . . . . 20.91 109.555 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -154.11 106.74 2.84 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 122.153 0.978 . . . . 38.200000000000003 109.229 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 11' ' ' TRP . . . . . 0.474 ' CE3' HD11 ' E' ' 4' ' ' DLE . 23.2 t90 -157.15 116.18 3.33 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 119.233 -0.987 . . . . 21.949999999999999 108.417 179.316 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -152.76 87.4 1.29 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.634 -0.876 . . . . 35.890000000000001 108.634 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -147.42 113.75 5.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.857 -1.164 . . . . 30.170000000000002 107.857 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 68.34 -139.4 33.78 Favored Glycine 0 N--CA 1.475 1.289 0 C-N-CA 119.226 -1.464 . . . . 14.699999999999999 109.765 177.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -153.97 120.97 5.65 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 119.515 -0.874 . . . . 19.870000000000001 110.059 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.4 111.14 3.55 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 104.593 -2.373 . . . . 15.949999999999999 104.593 -177.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.7 m -142.69 106.64 1.31 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.944 0 N-CA-C 109.465 -0.569 . . . . 24.460000000000001 109.465 -171.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 26.3 t90 -161.67 113.52 1.75 Allowed 'General case' 0 C--O 1.26 1.624 0 N-CA-C 107.383 -1.34 . . . . 20.82 107.383 -179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 15.2 t90 -154.42 99.69 2.22 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 114.145 -1.388 . . . . 15.77 108.475 -170.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -160.05 93.44 1.06 Allowed 'General case' 0 CA--C 1.491 -1.301 0 C-N-CA 119.691 -0.803 . . . . 37.880000000000003 108.904 -173.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 22.6 t-105 -166.14 92.09 0.48 Allowed 'General case' 0 C--O 1.244 0.808 0 CA-C-O 122.148 0.975 . . . . 26.710000000000001 108.851 -175.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 71.32 -142.25 33.81 Favored Glycine 0 C--O 1.219 -0.793 0 N-CA-C 108.386 -1.885 . . . . 15.92 108.386 177.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -151.56 118.17 5.73 Favored 'General case' 0 C--N 1.341 0.236 0 N-CA-C 108.616 -0.883 . . . . 18.199999999999999 108.616 -174.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.69 108.35 2.9 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 105.725 -1.954 . . . . 15.029999999999999 105.725 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 3.9 m -141.88 115.03 4.25 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.674 0 N-CA-C 108.779 -0.822 . . . . 22.300000000000001 108.779 -177.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 30.2 t90 -158.51 113.27 2.55 Favored 'General case' 0 C--O 1.267 2.015 0 C-N-CA 117.641 -1.624 . . . . 19.670000000000002 107.995 -177.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.439 ' CZ2' ' H15' ' B' 1016 ' ' 15P . 15.7 t90 -158.03 95.95 1.43 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 106.847 -1.538 . . . . 17.399999999999999 106.847 -168.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' TRP . . . . . . . . . . . . . 63.7 t-105 -157.92 97.12 1.53 Allowed 'General case' 0 C--O 1.247 0.961 0 N-CA-C 106.999 -1.482 . . . . 37.200000000000003 106.999 -172.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' TRP . . . . . . . . . . . . . 16.3 t-105 -164.53 96.78 0.77 Allowed 'General case' 0 C--O 1.249 1.067 0 N-CA-C 107.27 -1.381 . . . . 25.25 107.27 -174.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 1016 ' ' 15P . . . . . 0.439 ' H15' ' CZ2' ' B' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.3 151.89 52.08 Favored Glycine 0 CA--C 1.501 -0.793 0 N-CA-C 111.986 -0.445 . . . . 16.649999999999999 111.986 179.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -139.87 141.2 36.63 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 119.034 -1.066 . . . . 18.620000000000001 112.329 169.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' DLE . . . . . 0.505 HD21 ' CE3' ' D' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.1 96.31 1.32 Allowed 'General case' 0 N--CA 1.443 -0.806 0 O-C-N 121.408 -0.808 . . . . 18.32 109.247 -178.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 82.1 t -136.66 123.93 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.456 0 N-CA-C 107.326 -1.361 . . . . 22.289999999999999 107.326 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -160.66 111.08 1.78 Allowed 'General case' 0 C--O 1.25 1.127 0 N-CA-C 107.502 -1.296 . . . . 16.300000000000001 107.502 178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -162.3 95.63 0.94 Allowed 'General case' 0 C--N 1.343 0.312 0 N-CA-C 104.129 -2.545 . . . . 36.350000000000001 104.129 -171.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -153.75 123.19 6.62 Favored 'General case' 0 C--O 1.276 2.466 0 N-CA-C 108.08 -1.082 . . . . 22.57 108.08 177.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -164.37 84.83 0.43 Allowed 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.19 -1.411 . . . . 26.949999999999999 107.19 -175.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C 1016 ' ' 15P . . . . . 0.477 ' H13' ' H15' ' C' 1016 ' ' 15P . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.97 -136.76 19.5 Favored Glycine 0 C--O 1.209 -1.442 0 C-N-CA 117.94 -2.076 . . . . 14.33 114.309 178.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.6 99.59 3.02 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 105.74 -1.948 . . . . 17.940000000000001 105.74 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.36 126.12 7.62 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 119.138 -1.025 . . . . 17.66 110.257 -176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -159.85 111.9 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 O-C-N 124.266 0.979 . . . . 20.43 109.284 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -157.94 107.86 2.13 Favored 'General case' 0 N--CA 1.411 -2.39 0 N-CA-C 106.59 -1.633 . . . . 37.439999999999998 106.59 -176.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' TRP . . . . . 0.505 ' CE3' HD21 ' C' ' 4' ' ' DLE . 22.2 t90 -156.06 119.05 4.21 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.716 -1.194 . . . . 20.649999999999999 109.725 178.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -151.83 84.66 1.29 Allowed 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.837 0.827 . . . . 35.009999999999998 109.011 -175.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' TRP . . . . . . . . . . . . . 27.4 t-105 -149.27 106.16 3.57 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.041 -1.096 . . . . 30.27 108.041 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.24 157.06 52.68 Favored Glycine 0 N--CA 1.47 0.956 0 C-N-CA 120.508 -0.853 . . . . 18.079999999999998 114.329 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' ALA . . . . . . . . . . . . . . . -146.11 137.0 24.41 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 107.321 -1.363 . . . . 19.129999999999999 107.321 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' DLE . . . . . 0.474 HD11 ' CE3' ' F' ' 11' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.48 97.03 1.71 Allowed 'General case' 0 N--CA 1.444 -0.73 0 N-CA-C 105.498 -2.038 . . . . 16.920000000000002 105.498 -176.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 81.1 t -137.99 120.04 18.46 Favored 'Isoleucine or valine' 0 C--O 1.242 0.706 0 N-CA-C 108.264 -1.013 . . . . 22.5 108.264 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' TRP . . . . . . . . . . . . . 34.0 t90 -163.86 109.42 1.05 Allowed 'General case' 0 C--O 1.242 0.698 0 N-CA-C 107.67 -1.233 . . . . 19.039999999999999 107.67 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' TRP . . . . . . . . . . . . . 3.4 t-105 -160.11 97.67 1.27 Allowed 'General case' 0 C--O 1.239 0.548 0 N-CA-C 104.92 -2.252 . . . . 38.590000000000003 104.92 -172.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' TRP . . . . . . . . . . . . . 23.6 t90 -155.09 120.78 5.07 Favored 'General case' 0 C--O 1.254 1.296 0 N-CA-C 108.336 -0.987 . . . . 21.239999999999998 108.336 178.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -166.8 85.89 0.28 Allowed 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 106.968 -1.493 . . . . 28.32 106.968 -176.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' FVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.69 -135.13 18.75 Favored Glycine 0 C--O 1.216 -0.971 0 C-N-CA 118.533 -1.794 . . . . 15.16 113.48 179.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' ALA . . . . . . . . . . . . . . . -148.94 101.39 3.17 Favored 'General case' 0 CA--C 1.509 -0.614 0 N-CA-C 107.421 -1.326 . . . . 17.710000000000001 107.421 -173.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -155.79 122.74 5.34 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 119.662 -0.815 . . . . 16.960000000000001 108.982 -172.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' VAL . . . . . . . . . . . . . 7.2 p -157.87 114.22 0.19 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.934 0 N-CA-C 109.555 -0.535 . . . . 20.91 109.555 179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' DVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -154.11 106.74 2.84 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-O 122.153 0.978 . . . . 38.200000000000003 109.229 -178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' TRP . . . . . 0.474 ' CE3' HD11 ' E' ' 4' ' ' DLE . 23.2 t90 -157.15 116.18 3.33 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 119.233 -0.987 . . . . 21.949999999999999 108.417 179.316 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -152.76 87.4 1.29 Allowed 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 108.634 -0.876 . . . . 35.890000000000001 108.634 -179.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -147.42 113.75 5.92 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.857 -1.164 . . . . 30.170000000000002 107.857 -176.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' ETA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_