data_6waj_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6waj _Structure_validation_residue.Date_analyzed 2020-04-17 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 ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.74 0.305 . . . . 57.96 110.395 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -111.91 137.96 49.18 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.274 -0.639 . . . . 53.01 109.274 174.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -130.79 144.29 51.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.399 0.618 . . . . 49.9 110.411 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 tp -84.18 119.06 24.56 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.373 -0.973 . . . . 44.9 108.373 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.8 m -124.99 158.38 32.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.8 0.81 . . . . 37.99 109.561 -174.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -142.09 126.85 18.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.029 -0.987 . . . . 41.49 109.299 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.72 146.04 38.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.514 0.674 . . . . 35.25 110.85 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -148.3 132.24 17.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.181 -1.044 . . . . 40.36 108.181 -174.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -83.35 176.62 8.98 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 118.945 -1.102 . . . . 47.25 110.633 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.33 -24.29 67.59 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.88 -0.6 . . . . 53.19 112.469 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.31 6.19 77.35 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 119.615 -0.547 . . . . 37.76 114.066 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.88 2.29 90.65 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 118.913 -0.937 . . . . 41.71 115.332 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.66 135.64 36.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.675 1.238 . . . . 60.2 110.522 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.28 141.77 36.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.958 -0.564 . . . . 43.44 110.629 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.1 tp -115.33 118.72 34.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.705 -0.85 . . . . 38.93 108.705 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.61 -157.55 50.24 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.024 -1.084 . . . . 39.35 111.251 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -121.13 164.95 20.74 Favored Pre-proline 0 C--O 1.237 0.43 0 CA-C-N 114.816 -0.692 . . . . 44.54 109.757 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.51 146.08 97.32 Favored 'Trans proline' 0 C--O 1.234 0.286 0 CA-C-N 119.04 0.693 . . . . 43.48 112.084 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -147.88 160.22 43.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.221 -0.899 . . . . 40.9 108.678 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . . . -88.44 134.51 33.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.305 -0.861 . . . . 49.23 110.241 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -128.11 151.9 76.8 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 108.678 -0.86 . . . . 42.51 108.678 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -70.38 145.85 54.71 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 109.603 -0.96 . . . . 43.19 109.603 166.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.84 -21.25 27.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.738 -0.665 . . . . 44.56 111.602 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -88.29 14.44 9.45 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.1 0.778 . . . . 61.41 113.1 -177.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.94 140.29 19.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.452 0.644 . . . . 36.8 109.919 -176.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.9 p -95.22 162.31 25.19 Favored Pre-proline 0 C--O 1.235 0.315 0 C-N-CA 125.584 1.554 . . . . 36.24 111.011 -174.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.42 -33.75 93.81 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 113.42 0.508 . . . . 38.71 113.42 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . . . -63.12 -42.55 99.55 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.387 -0.525 . . . . 40.21 111.021 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.31 -32.7 68.92 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.262 -0.575 . . . . 49.99 111.633 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.77 -36.74 81.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.069 -0.652 . . . . 30.47 111.12 174.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -61.47 -41.75 97.73 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.534 -0.467 . . . . 47.38 111.325 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.84 -44.84 96.44 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.564 -0.454 . . . . 38.05 110.947 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -66.37 -47.34 84.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.307 0.575 . . . . 36.03 110.378 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.39 -43.81 96.52 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 122.166 -0.334 . . . . 37.41 111.272 -175.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -68.13 -30.32 69.43 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.403 -0.519 . . . . 42.51 111.832 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.11 96.78 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.95 -0.7 . . . . 39.09 110.699 171.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.29 -36.09 74.13 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.783 -0.367 . . . . 41.8 111.341 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.58 -25.87 59.56 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.598 0.592 . . . . 47.79 112.598 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 51.12 48.28 23.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.728 0.775 . . . . 58.33 112.105 170.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.68 153.08 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.62 . . . . 65.41 110.668 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -70.69 -35.08 72.62 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.452 -0.795 . . . . 66.53 111.002 173.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -124.42 84.14 56.89 Favored Pre-proline 0 C--O 1.242 0.697 0 N-CA-C 107.944 -1.132 . . . . 63.92 107.944 178.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -74.8 159.03 42.56 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-O 122.045 0.769 . . . . 59.19 111.116 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -121.39 155.71 58.69 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 114.788 -1.096 . . . . 50.86 111.078 -172.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.16 145.57 93.65 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 N-CA-C 110.056 -0.786 . . . . 48.29 110.056 171.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -125.43 143.9 50.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 39.39 111.046 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.74 150.53 27.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.076 -0.966 . . . . 36.16 108.534 167.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -129.37 146.94 51.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 31.61 109.963 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -140.12 138.21 35.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.664 -0.698 . . . . 36.77 109.806 -175.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 m -127.96 126.02 65.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 107.601 -1.259 . . . . 44.73 107.601 171.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HIS . . . . . 0.51 ' NE2' ' OE2' ' A' ' 85' ' ' GLU . 36.4 m-70 48.55 50.76 16.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.613 0.721 . . . . 61.53 111.705 179.852 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.3 35.46 24.9 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.615 -0.72 . . . . 65.95 112.438 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.27 134.12 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.943 -1.132 . . . . 41.09 107.943 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -77.25 140.4 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.247 0.546 . . . . 42.8 110.844 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.7 mt -83.86 100.62 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.236 -1.765 . . . . 34.72 106.236 171.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -106.26 -18.14 7.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 118.934 -0.555 . . . . 37.67 112.455 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.3 t -126.43 -55.91 1.42 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 118.793 0.724 . . . . 42.04 110.261 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -160.67 158.87 29.55 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.668 -0.864 . . . . 41.92 108.668 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.9 tp -56.1 -43.34 78.0 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.109 -0.95 . . . . 38.06 111.054 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.29 -41.32 96.77 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.32 -0.943 . . . . 39.49 113.179 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -57.59 -43.75 84.85 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 122.242 -0.564 . . . . 43.45 111.068 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.3 m -70.43 -37.96 74.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.132 -0.627 . . . . 42.48 111.007 -178.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.9 -35.43 74.6 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.259 -0.576 . . . . 49.37 111.802 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -56.33 -38.64 71.62 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.046 0.45 . . . . 60.59 110.769 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . . . -73.24 11.19 0.78 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.105 -0.372 . . . . 58.75 111.322 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . . . -141.15 -161.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.736 -0.468 . . . . 70.79 109.736 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 65.4 . -179.895 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.713 0.292 . . . . 60.48 111.676 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.4 p -84.49 -9.29 58.49 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.786 0.661 . . . . 60.25 112.786 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLU . . . . . 0.51 ' OE2' ' NE2' ' A' ' 65' ' ' HIS . 3.2 pt-20 -76.26 156.27 33.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.067 0.937 . . . . 64.77 111.291 -171.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -95.1 -29.43 14.58 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.909 -1.041 . . . . 51.57 113.123 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -131.65 131.53 62.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 108.083 -1.08 . . . . 48.04 108.083 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 44.1 tp -102.25 121.02 41.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.353 -0.61 . . . . 43.61 109.353 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -83.73 123.58 30.0 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.684 -0.487 . . . . 49.53 109.684 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.0 mt -110.01 114.12 46.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 107.632 -1.247 . . . . 32.91 107.632 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 3.5 mt -84.65 132.0 32.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.065 -0.717 . . . . 40.42 109.065 -178.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -112.67 144.97 41.27 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.345 0.593 . . . . 37.97 110.668 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -141.19 129.75 12.42 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 115.399 -0.819 . . . . 53.76 109.217 -175.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -65.48 142.85 73.51 Favored 'Trans proline' 0 C--N 1.333 -0.278 0 CA-C-O 121.557 0.565 . . . . 45.68 111.742 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -141.74 174.23 10.77 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.506 -0.924 . . . . 62.38 108.506 176.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.737 -0.665 . . . . 44.06 110.638 173.79 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.74 0.305 . . . . 57.960000000000001 110.395 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -111.91 137.96 49.18 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.274 -0.639 . . . . 53.009999999999998 109.274 174.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -130.79 144.29 51.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.399 0.618 . . . . 49.899999999999999 110.411 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 tp -84.18 119.06 24.56 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.373 -0.973 . . . . 44.899999999999999 108.373 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.8 m -124.99 158.38 32.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.8 0.81 . . . . 37.990000000000002 109.561 -174.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -142.09 126.85 18.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.029 -0.987 . . . . 41.490000000000002 109.299 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.72 146.04 38.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.514 0.674 . . . . 35.25 110.85 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 57.8 tt0 -148.3 132.24 17.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.181 -1.044 . . . . 40.359999999999999 108.181 -174.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -83.35 176.62 8.98 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 118.945 -1.102 . . . . 47.25 110.633 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.33 -24.29 67.59 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.88 -0.6 . . . . 53.189999999999998 112.469 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.31 6.19 77.35 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 119.615 -0.547 . . . . 37.759999999999998 114.066 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.88 2.29 90.65 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 118.913 -0.937 . . . . 41.710000000000001 115.332 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.66 135.64 36.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.675 1.238 . . . . 60.200000000000003 110.522 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.28 141.77 36.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.958 -0.564 . . . . 43.439999999999998 110.629 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.1 tp -115.33 118.72 34.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.705 -0.85 . . . . 38.93 108.705 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.61 -157.55 50.24 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.024 -1.084 . . . . 39.350000000000001 111.251 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -121.13 164.95 20.74 Favored Pre-proline 0 C--O 1.237 0.43 0 CA-C-N 114.816 -0.692 . . . . 44.539999999999999 109.757 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.51 146.08 97.32 Favored 'Trans proline' 0 C--O 1.234 0.286 0 CA-C-N 119.04 0.693 . . . . 43.479999999999997 112.084 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -147.88 160.22 43.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.221 -0.899 . . . . 40.899999999999999 108.678 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . . . -88.44 134.51 33.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.305 -0.861 . . . . 49.229999999999997 110.241 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -128.11 151.9 76.8 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 108.678 -0.86 . . . . 42.509999999999998 108.678 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -70.38 145.85 54.71 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 109.603 -0.96 . . . . 43.189999999999998 109.603 166.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.84 -21.25 27.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.738 -0.665 . . . . 44.560000000000002 111.602 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -88.29 14.44 9.45 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.1 0.778 . . . . 61.409999999999997 113.1 -177.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.94 140.29 19.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.452 0.644 . . . . 36.799999999999997 109.919 -176.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.9 p -95.22 162.31 25.19 Favored Pre-proline 0 C--O 1.235 0.315 0 C-N-CA 125.584 1.554 . . . . 36.240000000000002 111.011 -174.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.42 -33.75 93.81 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 113.42 0.508 . . . . 38.710000000000001 113.42 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . . . -63.12 -42.55 99.55 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.387 -0.525 . . . . 40.210000000000001 111.021 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.31 -32.7 68.92 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.262 -0.575 . . . . 49.990000000000002 111.633 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.77 -36.74 81.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.069 -0.652 . . . . 30.469999999999999 111.12 174.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -61.47 -41.75 97.73 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.534 -0.467 . . . . 47.380000000000003 111.325 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.84 -44.84 96.44 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.564 -0.454 . . . . 38.049999999999997 110.947 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -66.37 -47.34 84.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.307 0.575 . . . . 36.030000000000001 110.378 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.39 -43.81 96.52 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 122.166 -0.334 . . . . 37.409999999999997 111.272 -175.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -68.13 -30.32 69.43 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.403 -0.519 . . . . 42.509999999999998 111.832 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.11 96.78 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.95 -0.7 . . . . 39.090000000000003 110.699 171.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.29 -36.09 74.13 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.783 -0.367 . . . . 41.799999999999997 111.341 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.58 -25.87 59.56 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.598 0.592 . . . . 47.789999999999999 112.598 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 51.12 48.28 23.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.728 0.775 . . . . 58.329999999999998 112.105 170.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.68 153.08 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.62 . . . . 65.409999999999997 110.668 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -70.69 -35.08 72.62 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.452 -0.795 . . . . 66.530000000000001 111.002 173.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -124.42 84.14 56.89 Favored Pre-proline 0 C--O 1.242 0.697 0 N-CA-C 107.944 -1.132 . . . . 63.920000000000002 107.944 178.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -74.8 159.03 42.56 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-O 122.045 0.769 . . . . 59.189999999999998 111.116 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -121.39 155.71 58.69 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 114.788 -1.096 . . . . 50.859999999999999 111.078 -172.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.16 145.57 93.65 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 N-CA-C 110.056 -0.786 . . . . 48.289999999999999 110.056 171.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -125.43 143.9 50.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 39.390000000000001 111.046 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.74 150.53 27.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.076 -0.966 . . . . 36.159999999999997 108.534 167.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -129.37 146.94 51.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 31.609999999999999 109.963 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -140.12 138.21 35.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.664 -0.698 . . . . 36.770000000000003 109.806 -175.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 m -127.96 126.02 65.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 107.601 -1.259 . . . . 44.729999999999997 107.601 171.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HIS . . . . . 0.452 ' NE2' ' OE2' ' A' ' 85' ' ' GLU . 36.4 m-70 48.55 50.76 16.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.613 0.721 . . . . 61.530000000000001 111.705 179.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.3 35.46 24.9 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.615 -0.72 . . . . 65.950000000000003 112.438 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.27 134.12 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.943 -1.132 . . . . 41.090000000000003 107.943 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -77.25 140.4 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.247 0.546 . . . . 42.799999999999997 110.844 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.7 mt -83.86 100.62 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.236 -1.765 . . . . 34.719999999999999 106.236 171.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -106.26 -18.14 7.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 118.934 -0.555 . . . . 37.670000000000002 112.455 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.3 t -126.43 -55.91 1.42 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 118.793 0.724 . . . . 42.039999999999999 110.261 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -160.67 158.87 29.55 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.668 -0.864 . . . . 41.920000000000002 108.668 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.9 tp -56.1 -43.34 78.0 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.109 -0.95 . . . . 38.060000000000002 111.054 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.29 -41.32 96.77 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.32 -0.943 . . . . 39.490000000000002 113.179 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -57.59 -43.75 84.85 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 122.242 -0.564 . . . . 43.450000000000003 111.068 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.3 m -70.43 -37.96 74.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.132 -0.627 . . . . 42.479999999999997 111.007 -178.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.9 -35.43 74.6 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.259 -0.576 . . . . 49.369999999999997 111.802 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -56.33 -38.64 71.62 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.046 0.45 . . . . 60.590000000000003 110.769 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . . . -73.24 11.19 0.78 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.105 -0.372 . . . . 58.75 111.322 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . . . -141.15 -161.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.736 -0.468 . . . . 70.790000000000006 109.736 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 65.400000000000006 . -179.895 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.713 0.292 . . . . 60.479999999999997 111.676 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.4 p -84.49 -9.29 58.49 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.786 0.661 . . . . 60.25 112.786 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' OE2' ' NE2' ' A' ' 65' ' ' HIS . 3.2 pt-20 -76.26 156.27 33.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.067 0.937 . . . . 64.769999999999996 111.291 -171.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -95.1 -29.43 14.58 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.909 -1.041 . . . . 51.57 113.123 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -131.65 131.53 62.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 108.083 -1.08 . . . . 48.039999999999999 108.083 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 44.1 tp -102.25 121.02 41.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.353 -0.61 . . . . 43.609999999999999 109.353 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -83.73 123.58 30.0 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.684 -0.487 . . . . 49.530000000000001 109.684 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.0 mt -110.01 114.12 46.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 107.632 -1.247 . . . . 32.909999999999997 107.632 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 3.5 mt -84.65 132.0 32.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.065 -0.717 . . . . 40.420000000000002 109.065 -178.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -112.67 144.97 41.27 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.345 0.593 . . . . 37.969999999999999 110.668 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -141.19 129.75 12.42 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 115.399 -0.819 . . . . 53.759999999999998 109.217 -175.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -65.48 142.85 73.51 Favored 'Trans proline' 0 C--N 1.333 -0.278 0 CA-C-O 121.557 0.565 . . . . 45.68 111.742 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -141.74 174.23 10.77 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.506 -0.924 . . . . 62.380000000000003 108.506 176.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.737 -0.665 . . . . 44.060000000000002 110.638 173.79 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.74 0.305 . . . . 57.96 110.395 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -111.91 137.96 49.18 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.274 -0.639 . . . . 53.01 109.274 174.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 59.5 mt -130.79 144.29 51.34 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.399 0.618 . . . . 49.9 110.411 -178.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.4 tp -84.18 119.06 24.56 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.373 -0.973 . . . . 44.9 108.373 175.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.8 m -124.99 158.38 32.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.164 0 CA-C-O 121.8 0.81 . . . . 37.99 109.561 -174.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -142.09 126.85 18.09 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.029 -0.987 . . . . 41.49 109.299 -178.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -76.72 146.04 38.26 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.514 0.674 . . . . 35.25 110.85 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 91' ' ' ILE . 57.8 tt0 -148.3 132.24 17.14 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.181 -1.044 . . . . 40.36 108.181 -174.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -83.35 176.62 8.98 Favored 'General case' 0 C--O 1.234 0.278 0 C-N-CA 118.945 -1.102 . . . . 47.25 110.633 -177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.33 -24.29 67.59 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.88 -0.6 . . . . 53.19 112.469 -177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -84.31 6.19 77.35 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-O 119.615 -0.547 . . . . 37.76 114.066 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.88 2.29 90.65 Favored Glycine 0 N--CA 1.445 -0.762 0 CA-C-O 118.913 -0.937 . . . . 41.71 115.332 -179.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -79.66 135.64 36.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 118.675 1.238 . . . . 60.2 110.522 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.28 141.77 36.75 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.958 -0.564 . . . . 43.44 110.629 -178.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.1 tp -115.33 118.72 34.04 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 108.705 -0.85 . . . . 38.93 108.705 -179.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.61 -157.55 50.24 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.024 -1.084 . . . . 39.35 111.251 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -121.13 164.95 20.74 Favored Pre-proline 0 C--O 1.237 0.43 0 CA-C-N 114.816 -0.692 . . . . 44.54 109.757 -177.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -61.51 146.08 97.32 Favored 'Trans proline' 0 C--O 1.234 0.286 0 CA-C-N 119.04 0.693 . . . . 43.48 112.084 178.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -147.88 160.22 43.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.221 -0.899 . . . . 40.9 108.678 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . . . -88.44 134.51 33.82 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.305 -0.861 . . . . 49.23 110.241 -175.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 32.8 m -128.11 151.9 76.8 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 108.678 -0.86 . . . . 42.51 108.678 172.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -70.38 145.85 54.71 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 109.603 -0.96 . . . . 43.19 109.603 166.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.84 -21.25 27.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-N 115.738 -0.665 . . . . 44.56 111.602 -175.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -88.29 14.44 9.45 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.1 0.778 . . . . 61.41 113.1 -177.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 19.2 tt -68.94 140.29 19.13 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.452 0.644 . . . . 36.8 109.919 -176.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 71.9 p -95.22 162.31 25.19 Favored Pre-proline 0 C--O 1.235 0.315 0 C-N-CA 125.584 1.554 . . . . 36.24 111.011 -174.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.42 -33.75 93.81 Favored 'Trans proline' 0 N--CA 1.476 0.469 0 N-CA-C 113.42 0.508 . . . . 38.71 113.42 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . . . -63.12 -42.55 99.55 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.387 -0.525 . . . . 40.21 111.021 178.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.31 -32.7 68.92 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 120.262 -0.575 . . . . 49.99 111.633 178.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.4 mt -67.77 -36.74 81.04 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 120.069 -0.652 . . . . 30.47 111.12 174.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -61.47 -41.75 97.73 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.534 -0.467 . . . . 47.38 111.325 177.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.1 tt -60.84 -44.84 96.44 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.564 -0.454 . . . . 38.05 110.947 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.5 t -66.37 -47.34 84.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.44 0 CA-C-O 121.307 0.575 . . . . 36.03 110.378 -178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 15.8 t -63.39 -43.81 96.52 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 122.166 -0.334 . . . . 37.41 111.272 -175.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -68.13 -30.32 69.43 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.403 -0.519 . . . . 42.51 111.832 178.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.49 -41.11 96.78 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.95 -0.7 . . . . 39.09 110.699 171.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.29 -36.09 74.13 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.783 -0.367 . . . . 41.8 111.341 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 68.9 mt -74.58 -25.87 59.56 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.598 0.592 . . . . 47.79 112.598 -176.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 51.12 48.28 23.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.728 0.775 . . . . 58.33 112.105 170.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -92.68 153.08 19.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.403 0.62 . . . . 65.41 110.668 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . . . -70.69 -35.08 72.62 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.452 -0.795 . . . . 66.53 111.002 173.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . . . -124.42 84.14 56.89 Favored Pre-proline 0 C--O 1.242 0.697 0 N-CA-C 107.944 -1.132 . . . . 63.92 107.944 178.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -74.8 159.03 42.56 Favored 'Trans proline' 0 C--N 1.329 -0.448 0 CA-C-O 122.045 0.769 . . . . 59.19 111.116 179.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 45.9 mt -121.39 155.71 58.69 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 114.788 -1.096 . . . . 50.86 111.078 -172.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -63.16 145.57 93.65 Favored 'Trans proline' 0 CA--C 1.518 -0.277 0 N-CA-C 110.056 -0.786 . . . . 48.29 110.056 171.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.1 mt -125.43 143.9 50.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.779 -0.646 . . . . 39.39 111.046 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -108.74 150.53 27.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.076 -0.966 . . . . 36.16 108.534 167.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -129.37 146.94 51.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.167 -0.469 . . . . 31.61 109.963 -173.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -140.12 138.21 35.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.664 -0.698 . . . . 36.77 109.806 -175.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.6 m -127.96 126.02 65.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.565 0 N-CA-C 107.601 -1.259 . . . . 44.73 107.601 171.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.452 ' NE2' ' OE2' ' A' ' 85' ' ' GLU . 36.4 m-70 48.55 50.76 16.51 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.613 0.721 . . . . 61.53 111.705 179.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 58.3 35.46 24.9 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 115.615 -0.72 . . . . 65.95 112.438 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -138.27 134.12 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 107.943 -1.132 . . . . 41.09 107.943 171.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -77.25 140.4 40.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.247 0.546 . . . . 42.8 110.844 -176.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 73.7 mt -83.86 100.62 7.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 N-CA-C 106.236 -1.765 . . . . 34.72 106.236 171.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.3 m -106.26 -18.14 7.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 CA-C-O 118.934 -0.555 . . . . 37.67 112.455 -178.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 24.3 t -126.43 -55.91 1.42 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 118.793 0.724 . . . . 42.04 110.261 -178.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 24.2 p -160.67 158.87 29.55 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.668 -0.864 . . . . 41.92 108.668 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 36.9 tp -56.1 -43.34 78.0 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.109 -0.95 . . . . 38.06 111.054 177.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -65.29 -41.32 96.77 Favored Glycine 0 C--N 1.334 0.459 0 C-N-CA 120.32 -0.943 . . . . 39.49 113.179 -177.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . . . -57.59 -43.75 84.85 Favored 'General case' 0 C--O 1.237 0.445 0 O-C-N 122.242 -0.564 . . . . 43.45 111.068 177.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 89.3 m -70.43 -37.96 74.49 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.132 -0.627 . . . . 42.48 111.007 -178.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.3 mt -69.9 -35.43 74.6 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.259 -0.576 . . . . 49.37 111.802 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . -56.33 -38.64 71.62 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.046 0.45 . . . . 60.59 110.769 174.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . . . -73.24 11.19 0.78 Allowed 'General case' 0 C--O 1.236 0.376 0 O-C-N 122.105 -0.372 . . . . 58.75 111.322 179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . . . -141.15 -161.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.736 -0.468 . . . . 70.79 109.736 174.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.419 . . . . 65.4 . -179.895 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.713 0.292 . . . . 60.48 111.676 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.4 p -84.49 -9.29 58.49 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 112.786 0.661 . . . . 60.25 112.786 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' OE2' ' NE2' ' A' ' 65' ' ' HIS . 3.2 pt-20 -76.26 156.27 33.64 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 122.067 0.937 . . . . 64.77 111.291 -171.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -95.1 -29.43 14.58 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 114.909 -1.041 . . . . 51.57 113.123 177.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.7 t -131.65 131.53 62.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 N-CA-C 108.083 -1.08 . . . . 48.04 108.083 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 44.1 tp -102.25 121.02 41.45 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.353 -0.61 . . . . 43.61 109.353 -175.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -83.73 123.58 30.0 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.684 -0.487 . . . . 49.53 109.684 -179.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 69.0 mt -110.01 114.12 46.13 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 N-CA-C 107.632 -1.247 . . . . 32.91 107.632 176.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 3.5 mt -84.65 132.0 32.69 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.065 -0.717 . . . . 40.42 109.065 -178.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -112.67 144.97 41.27 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.345 0.593 . . . . 37.97 110.668 177.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -141.19 129.75 12.42 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 115.399 -0.819 . . . . 53.76 109.217 -175.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -65.48 142.85 73.51 Favored 'Trans proline' 0 C--N 1.333 -0.278 0 CA-C-O 121.557 0.565 . . . . 45.68 111.742 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -141.74 174.23 10.77 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 108.506 -0.924 . . . . 62.38 108.506 176.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.737 -0.665 . . . . 44.06 110.638 173.79 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' UNX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_