data_6a6x_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 6a6x _Structure_validation_residue.Date_analyzed 2019-06-28 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 ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.42 0 N-CA-C 114.145 0.418 . . . . 74.07 114.145 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 147.86 32.97 Favored 'Trans proline' 0 C--N 1.332 -0.311 0 O-C-N 122.636 0.808 . . . . 70.93 112.657 -175.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . . . -94.19 118.11 31.08 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.92 -1.036 . . . . 64.62 108.809 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.49 -5.82 23.59 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.655 0.613 . . . . 67.45 112.655 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . -75.18 -61.59 1.85 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.851 0.358 . . . . 82.41 111.955 -162.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.84 10.54 41.08 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.726 -0.609 . . . . 67.3 112.232 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . 0.462 ' OE2' ' NE ' ' A' ' 85' ' ' ARG . 6.0 mm-40 -102.0 148.75 35.79 Favored Pre-proline 0 C--N 1.281 -2.37 0 C-N-CA 117.463 -1.695 . . . . 71.18 111.191 -172.107 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -56.2 150.56 48.25 Favored 'Trans proline' 0 CA--C 1.52 -0.203 0 N-CA-C 110.391 -0.657 . . . . 50.09 110.391 173.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -119.55 145.31 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.857 -0.794 . . . . 44.78 108.857 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -60.96 141.56 57.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.661 -0.7 . . . . 36.22 109.425 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -12.21 61.95 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-O 119.136 -0.813 . . . . 34.1 114.903 -172.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.2 153.85 35.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 118.694 1.247 . . . . 45.2 110.724 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 tp -104.19 122.9 46.31 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.062 -0.972 . . . . 37.06 108.716 167.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -121.46 152.39 39.17 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.818 1.247 . . . . 40.74 109.759 -175.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 18.4 tp -86.0 125.45 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.088 -1.078 . . . . 39.98 108.088 168.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 t -114.27 137.28 48.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.237 -1.023 . . . . 42.47 108.237 -174.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 124.7 39.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.585 -1.265 . . . . 55.74 107.585 173.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -115.0 53.54 0.81 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.778 -0.769 . . . . 68.7 110.73 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.48 -122.65 1.45 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-O 117.627 -1.651 . . . . 71.8 110.461 176.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 128.302 2.641 . . . . 72.34 113.736 -0.462 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . 0.795 ' NZ ' ' O ' ' A' ' 301' ' ' HOH . 3.9 pttt . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.603 0.716 . . . . 72.59 110.815 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -97.48 155.87 16.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.878 -1.055 . . . . 71.79 109.201 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -145.76 146.74 30.17 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 124.532 1.133 . . . . 68.57 108.634 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.6 152.92 38.56 Favored 'Trans proline' 0 C--N 1.323 -0.776 0 N-CA-C 109.282 -1.084 . . . . 35.99 109.282 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.79 156.45 36.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.891 -1.05 . . . . 33.16 108.895 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.41 126.45 51.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 114.781 -1.099 . . . . 37.46 108.702 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 81.9 t -74.1 123.08 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.598 -0.89 . . . . 36.66 108.598 173.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -120.61 -10.55 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 N-CA-C 113.131 0.789 . . . . 35.93 113.131 -177.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 p -79.74 152.17 29.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.484 1.038 . . . . 35.91 109.713 172.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -74.45 155.53 6.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.121 -0.696 . . . . 35.29 109.121 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -15.25 59.53 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.649 -0.821 . . . . 41.89 112.432 -175.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -65.45 -12.92 57.06 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.115 0.783 . . . . 59.45 113.115 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 mt -80.78 -19.21 45.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.836 0.744 . . . . 41.13 112.891 177.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.4 mt -77.8 137.46 38.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.081 0.467 . . . . 53.08 111.708 -171.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -122.61 5.25 9.53 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.947 -0.57 . . . . 58.4 111.815 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 12.8 83.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-O 119.289 -0.729 . . . . 78.69 114.567 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.7 pp -101.7 159.45 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 118.183 0.991 . . . . 69.38 108.834 176.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.21 -32.37 38.56 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.088 1.144 . . . . 88.29 114.088 -170.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -81.46 -8.8 59.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 114.124 1.157 . . . . 75.64 114.124 -174.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.66 150.55 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 119.097 0.862 . . . . 56.3 111.581 -176.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -92.63 131.23 37.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.178 -0.919 . . . . 44.75 110.516 -174.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -115.66 128.36 72.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 125.839 1.656 . . . . 35.85 107.131 173.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.75 127.79 42.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.533 -0.914 . . . . 34.48 108.533 -175.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.02 158.76 43.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.92 0.867 . . . . 32.8 109.527 -174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.2 t -113.53 115.13 47.12 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 107.574 -1.269 . . . . 34.86 107.574 175.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.55 143.29 81.21 Favored 'Trans proline' 0 C--N 1.332 -0.33 0 CA-C-N 119.182 0.743 . . . . 37.07 111.068 -177.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.67 129.86 63.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.601 -0.888 . . . . 35.96 108.601 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 t -121.14 138.01 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 49.99 109.908 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.6 p -99.54 0.53 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.908 0.707 . . . . 45.79 112.908 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.0 p -117.42 -18.92 9.71 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.953 1.094 . . . . 62.77 113.953 -176.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -83.07 147.74 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.992 0.815 . . . . 75.42 110.824 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 p -71.52 155.1 40.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.167 -0.924 . . . . 57.33 109.781 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.53 139.77 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.295 -0.866 . . . . 84.93 110.392 -176.451 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 p -141.88 165.13 29.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.62 -1.252 . . . . 39.61 107.62 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.04 -33.87 90.84 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 N-CA-C 113.997 0.73 . . . . 36.6 113.997 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.18 5.51 29.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 118.886 0.767 . . . . 36.1 112.783 177.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -127.69 76.3 77.23 Favored Pre-proline 0 C--O 1.238 0.464 0 N-CA-C 108.197 -1.038 . . . . 46.14 108.197 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.17 144.06 95.24 Favored 'Trans proline' 0 C--O 1.241 0.637 0 C-N-CA 120.182 0.588 . . . . 35.53 110.827 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.25 152.48 39.69 Favored 'Trans proline' 0 C--N 1.329 -0.5 0 CA-C-O 122.147 0.811 . . . . 40.85 112.188 -175.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.9 127.84 71.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 107.598 -1.26 . . . . 35.45 107.598 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.92 156.64 35.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 C-N-CA 125.668 1.587 . . . . 41.93 110.748 -170.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -56.96 -28.42 77.99 Favored 'Trans proline' 0 C--O 1.238 0.485 0 N-CA-C 113.235 0.436 . . . . 40.0 113.235 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.7 p -62.75 -14.06 40.33 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.519 0.6 . . . . 41.25 112.56 174.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -104.4 1.68 30.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.013 0.746 . . . . 41.9 113.013 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.53 -11.3 8.0 Favored Glycine 0 C--O 1.24 0.483 0 N-CA-C 116.061 1.184 . . . . 36.0 116.061 169.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.6 m -82.56 161.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.826 1.813 . . . . 34.5 109.983 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -32.51 33.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.6 -0.727 . . . . 40.68 111.66 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.21 158.62 43.75 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.619 -0.882 . . . . 39.62 108.619 175.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -42.11 126.3 3.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.553 -0.749 . . . . 50.07 111.717 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.9 m -138.13 -178.77 5.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.293 0.568 . . . . 35.25 109.724 -173.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.29 146.72 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.617 0.723 . . . . 32.44 109.427 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.07 106.79 18.7 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.214 -1.032 . . . . 31.17 108.214 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.13 84.15 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.415 -0.957 . . . . 29.56 108.415 -175.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.33 -26.83 68.65 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.281 -0.567 . . . . 33.78 111.591 -174.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -62.71 -26.84 68.88 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.779 -0.768 . . . . 45.17 111.383 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.74 12.36 59.61 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 115.691 1.036 . . . . 28.03 115.691 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -50.82 139.82 5.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 118.268 1.034 . . . . 36.52 110.431 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -159.38 145.83 16.53 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.037 -0.665 . . . . 46.25 110.472 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.47 133.26 36.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.424 -0.807 . . . . 36.46 109.777 169.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 m -129.29 154.01 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 108.868 -0.79 . . . . 43.26 108.868 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 137.16 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.865 -0.734 . . . . 40.33 109.097 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . 0.462 ' NE ' ' OE2' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -55.63 -23.92 30.58 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.212 -0.595 . . . . 54.63 111.893 -176.804 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.18 -16.5 63.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.798 0.666 . . . . 43.03 112.798 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.5 mtt-85 -82.94 -4.66 58.48 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.096 -1.042 . . . . 51.08 112.406 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 16.1 mt -88.61 113.68 24.43 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.488 -1.301 . . . . 49.51 107.488 176.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.2 m -95.58 -52.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.791 0.293 . . . . 48.14 111.791 -170.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -148.55 146.73 28.42 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.052 -1.059 . . . . 62.75 110.788 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . 0.563 ' NH1' ' O ' ' A' ' 305' ' ' HOH . 71.0 ttt-85 -73.95 127.66 33.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.015 -0.993 . . . . 47.28 110.532 176.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.9 mt -95.99 -32.03 12.78 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.517 0.932 . . . . 42.78 113.517 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.34 -164.43 36.2 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.114 -1.041 . . . . 36.88 111.371 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -134.67 142.76 46.93 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.902 -0.649 . . . . 40.32 109.389 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.66 141.34 29.84 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.166 -0.47 . . . . 40.47 111.312 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . 0.598 ' NZ ' ' O ' ' A' ' 303' ' ' HOH . 10.6 mtmm -53.74 141.11 47.51 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.645 -0.707 . . . . 48.39 109.31 169.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.02 -33.64 96.08 Favored 'Trans proline' 0 C--O 1.239 0.547 0 CA-C-N 118.781 0.6 . . . . 43.2 113.34 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -36.66 84.42 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.105 -0.638 . . . . 36.17 111.287 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -62.89 -45.87 90.52 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.087 -0.645 . . . . 38.1 110.26 177.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 62.5 mmm -59.62 -39.25 83.67 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.75 -0.38 . . . . 41.07 111.149 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ARG . . . . . 0.428 ' NH2' ' O ' ' A' ' 306' ' ' HOH . 11.2 mtm-85 -64.99 -35.92 82.73 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.424 -0.91 . . . . 52.35 111.494 177.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -39.75 80.32 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.494 -0.882 . . . . 34.83 111.417 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.53 -42.31 93.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.824 0.345 . . . . 39.07 110.614 175.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.69 -41.65 99.22 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.829 -0.545 . . . . 43.02 111.2 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -69.04 -40.46 78.57 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.153 -1.019 . . . . 50.53 111.369 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.38 88.76 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.551 -0.46 . . . . 34.12 111.042 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.35 -39.34 92.8 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.119 -0.632 . . . . 34.42 110.884 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 53.7 m -59.46 -43.55 93.19 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.16 -0.616 . . . . 38.64 110.645 179.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.01 -43.37 78.99 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.405 -0.918 . . . . 42.48 111.567 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.47 -40.92 88.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 120.89 0.376 . . . . 33.34 111.065 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.44 10.94 30.23 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.535 0.939 . . . . 40.73 113.535 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 59.97 35.69 87.88 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 120.39 -0.91 . . . . 43.88 113.34 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.3 mt -85.77 146.61 44.08 Favored Pre-proline 0 C--N 1.298 -1.634 0 C-N-CA 118.63 -1.228 . . . . 51.67 110.461 -179.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -79.01 128.44 8.34 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 CA-C-O 117.914 -0.952 . . . . 63.68 113.692 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 106.606 -1.628 . . . . 85.03 106.606 -11.497 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.976 0.417 . . . . 61.15 110.81 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . -94.14 129.3 40.76 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.991 -0.55 . . . . 53.48 109.934 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -55.78 150.06 13.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.494 0.664 . . . . 49.86 111.176 -178.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -113.34 84.88 7.99 Favored Pre-proline 0 C--O 1.241 0.607 0 N-CA-C 108.129 -1.063 . . . . 83.01 108.129 174.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -88.8 146.03 5.64 Favored 'Trans proline' 0 CA--C 1.516 -0.387 0 C-N-CA 120.564 0.843 . . . . 46.16 111.559 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.26 147.86 47.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.06 -0.973 . . . . 70.75 109.113 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ARG . . . . . 0.551 ' NH2' ' OE2' ' B' ' 104' ' ' GLU . 77.0 ttt-85 -60.88 140.38 57.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.469 -0.787 . . . . 36.13 109.148 -177.54 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.17 -10.76 69.71 Favored Glycine 0 N--CA 1.441 -0.972 0 CA-C-O 119.232 -0.76 . . . . 35.17 114.883 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.26 152.81 39.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.645 1.223 . . . . 42.64 111.334 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -105.33 121.98 45.01 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.511 -1.292 . . . . 38.95 107.511 167.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -121.76 151.27 40.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.653 0.781 . . . . 40.57 110.592 -174.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.0 tp -85.67 124.4 32.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.019 -1.104 . . . . 39.62 108.019 169.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 t -115.3 139.25 42.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 121.248 0.547 . . . . 42.71 109.653 -174.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SER . . . . . 0.55 ' OG ' ' O ' ' B' ' 16' ' ' ALA . 6.0 t -93.26 130.1 39.09 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.271 1.029 . . . . 56.21 109.783 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -114.46 141.33 47.83 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.653 0.781 . . . . 61.87 109.733 -176.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.41 -16.94 4.47 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 115.452 0.941 . . . . 76.27 115.452 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ALA . . . . . 0.55 ' O ' ' OG ' ' B' ' 13' ' ' SER . . . -157.74 168.26 27.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.272 -1.381 . . . . 80.96 107.272 175.038 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 71.07 111.661 -177.871 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.41 0 N-CA-C 115.561 0.985 . . . . 68.58 115.561 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -87.56 120.36 28.78 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.058 0.456 . . . . 75.49 110.929 -173.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -123.77 147.32 47.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.244 0.545 . . . . 54.26 110.682 176.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -148.56 147.32 24.76 Favored Pre-proline 0 CA--C 1.516 -0.338 0 N-CA-C 107.213 -1.403 . . . . 48.79 107.213 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -79.9 152.32 21.93 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 CA-C-O 121.775 0.656 . . . . 41.43 111.546 177.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.52 154.19 33.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 114.804 -1.089 . . . . 35.54 109.04 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.91 125.92 52.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 108.364 -0.976 . . . . 34.34 108.364 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.08 123.78 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 108.114 -1.069 . . . . 36.37 108.114 174.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.63 -10.83 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 113.343 0.868 . . . . 36.73 113.343 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.9 p -79.84 152.87 29.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.354 0.979 . . . . 38.02 110.053 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.4 155.04 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.828 0.823 . . . . 39.45 109.943 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.32 -17.14 56.97 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.47 -0.786 . . . . 43.05 112.749 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -61.95 -12.59 19.07 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.596 0.635 . . . . 53.96 112.696 175.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 mt -82.71 -18.43 40.89 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.972 0.73 . . . . 39.27 112.972 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 mt -76.77 131.22 38.59 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.44 0.563 . . . . 46.68 110.865 -170.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 6.5 t -129.84 7.66 5.2 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.677 0.992 . . . . 64.49 113.677 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.95 20.76 57.19 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 116.995 1.558 . . . . 59.36 116.995 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 8.9 mm -94.69 156.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 118.99 1.395 . . . . 63.91 108.849 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.27 -39.73 28.33 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.737 -0.785 . . . . 74.95 111.005 -177.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -86.68 -2.39 58.49 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 113.504 0.927 . . . . 80.76 113.504 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -63.76 148.51 49.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.166 0.894 . . . . 48.38 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.57 131.24 39.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.415 -0.811 . . . . 37.64 110.237 -171.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.2 t -115.42 125.93 72.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.056 -1.831 . . . . 34.43 106.056 173.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.94 126.75 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.279 -1.008 . . . . 32.55 108.279 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.8 159.66 42.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 122.183 0.992 . . . . 30.52 109.437 -174.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -114.52 115.92 44.06 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.58 -1.267 . . . . 33.07 107.58 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.61 143.9 88.48 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 CA-C-N 119.386 0.817 . . . . 35.84 111.093 -177.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -108.88 128.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 107.781 -1.192 . . . . 38.82 107.781 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 41.0 t -121.98 138.88 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.461 0.704 . . . . 40.91 110.703 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.1 p -98.29 2.12 47.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.729 -0.668 . . . . 46.09 112.334 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -117.6 -20.58 8.92 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 114.963 1.468 . . . . 51.48 114.963 -175.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.54 148.17 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 119.566 1.076 . . . . 61.68 110.392 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' SER . . . . . 0.465 ' N ' ' OE2' ' C' ' 55' ' ' GLU . 69.4 m -71.81 155.29 40.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 122.2 1.0 . . . . 58.08 110.214 -176.851 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 -81.49 136.4 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.82 -1.082 . . . . 78.41 112.185 -176.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 29.9 p -143.9 165.85 22.31 Favored Pre-proline 0 C--N 1.346 0.452 0 C-N-CA 125.381 1.473 . . . . 44.36 109.412 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -57.02 -32.27 92.6 Favored 'Trans proline' 0 C--O 1.238 0.511 0 CA-C-N 119.407 0.824 . . . . 42.06 113.683 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.85 4.99 26.84 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.949 0.722 . . . . 38.82 112.949 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -128.51 75.69 79.18 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 107.816 -1.179 . . . . 45.37 107.816 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -61.39 146.71 96.92 Favored 'Trans proline' 0 C--O 1.246 0.888 0 N-CA-C 110.804 -0.498 . . . . 42.59 110.804 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.23 151.18 43.31 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-O 121.687 0.62 . . . . 47.16 111.753 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 65.3 t -126.3 127.71 70.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 107.938 -1.134 . . . . 41.83 107.938 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.93 156.21 35.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 44.63 111.198 -170.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.29 -28.74 81.17 Favored 'Trans proline' 0 C--O 1.237 0.467 0 N-CA-C 114.105 0.771 . . . . 47.63 114.105 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 40.5 p -62.85 -12.69 26.42 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.936 0.789 . . . . 45.88 112.612 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -102.82 2.68 35.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.307 0.484 . . . . 45.12 112.307 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.55 -12.04 8.39 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-O 118.95 -0.916 . . . . 45.31 115.304 168.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.92 160.26 3.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 119.436 1.618 . . . . 42.07 110.111 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.76 26.73 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.092 -0.958 . . . . 49.94 112.177 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.14 159.66 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.906 -0.776 . . . . 44.42 108.906 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -43.47 123.89 3.24 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.581 -0.736 . . . . 53.88 110.425 172.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.1 m -139.3 177.14 8.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.599 -0.889 . . . . 41.22 108.599 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 26.6 m -132.88 149.72 32.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.812 -0.81 . . . . 36.9 108.812 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.01 107.94 19.53 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.465 -0.939 . . . . 36.35 108.465 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.37 83.48 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.345 -0.613 . . . . 37.12 109.345 -175.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.1 m -64.5 -25.06 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 112.296 0.48 . . . . 34.25 112.296 -174.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -63.04 -27.43 69.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.087 -0.645 . . . . 43.9 111.589 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.67 13.04 57.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-O 118.785 -1.008 . . . . 35.34 115.345 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 p -50.42 137.44 7.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 118.515 1.158 . . . . 31.6 109.966 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 9.6 ptp180 -159.62 146.94 16.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 119.52 -0.872 . . . . 46.44 109.875 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ALA . . . . . . . . . . . . . . . -78.68 134.0 37.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.305 -0.861 . . . . 41.67 109.199 169.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.52 154.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.492 -0.929 . . . . 39.84 108.492 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.86 140.98 55.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.726 -0.79 . . . . 39.91 110.298 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -61.95 -28.94 69.9 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.669 -0.696 . . . . 49.93 111.983 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.9 -13.62 60.02 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.793 0.664 . . . . 43.83 112.793 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -84.14 -2.86 57.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 113.04 0.755 . . . . 47.33 113.04 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.74 116.93 23.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.205 -0.665 . . . . 41.69 109.205 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.61 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.571 -0.286 . . . . 41.21 111.642 -169.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -150.93 144.7 25.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.112 -0.699 . . . . 64.43 109.112 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -73.69 125.41 28.0 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.066 -0.716 . . . . 42.2 109.066 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.12 -30.02 15.47 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.267 -0.424 . . . . 41.19 111.833 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.15 -165.03 36.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.282 -1.437 . . . . 37.03 110.91 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -133.61 143.14 48.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.455 -0.872 . . . . 39.63 108.797 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mp -86.3 146.59 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 40.26 109.639 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -65.47 156.76 81.15 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.719 -0.673 . . . . 65.1 109.798 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -61.11 -34.41 89.6 Favored 'Trans proline' 0 C--O 1.238 0.496 0 N-CA-C 113.919 0.7 . . . . 51.24 113.919 178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.1 89.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 119.377 -0.929 . . . . 46.8 111.069 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 33.9 m -65.07 -45.74 84.06 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.547 -0.861 . . . . 46.65 110.205 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 54.2 mmm -59.52 -40.11 86.08 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.409 -0.516 . . . . 40.21 110.996 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -66.35 -35.48 80.46 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.118 -1.033 . . . . 69.38 111.529 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.47 82.89 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.761 -0.776 . . . . 38.62 111.221 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 52.0 mt -61.72 -41.38 90.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.82 0.343 . . . . 37.88 110.589 174.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLU . . . . . 0.551 ' OE2' ' NH2' ' B' ' 6' ' ' ARG . 91.5 mt-10 -63.62 -41.54 98.26 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.856 -0.527 . . . . 39.63 111.62 179.226 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -69.1 -40.44 78.38 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.427 -0.909 . . . . 50.08 110.711 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.46 88.25 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.658 -0.417 . . . . 33.01 110.917 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.85 -39.74 95.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.168 -0.613 . . . . 34.39 111.044 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' THR . . . . . . . . . . . . . 55.5 m -60.19 -42.74 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.863 -0.735 . . . . 37.66 110.837 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.23 -43.13 82.74 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.017 -1.073 . . . . 40.4 111.654 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.82 -41.78 91.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.743 -0.383 . . . . 35.67 111.078 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.45 11.32 26.62 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.65 0.981 . . . . 35.99 113.65 -174.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 60.76 36.94 92.76 Favored Glycine 0 C--O 1.238 0.357 0 C-N-CA 120.732 -0.747 . . . . 41.94 114.306 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' LEU . . . . . . . . . . . . . 34.0 mt -85.43 147.23 46.4 Favored Pre-proline 0 C--N 1.28 -2.417 0 C-N-CA 118.629 -1.228 . . . . 48.94 110.752 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.342 0.234 0 C-N-CA 123.172 2.582 . . . . 58.96 112.994 -179.954 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.97 0.414 . . . . 85.29 110.606 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 6.1 p -135.98 138.8 42.64 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.958 -0.756 . . . . 77.17 108.958 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' SER . . . . . . . . . . . . . 54.1 p -132.46 150.83 52.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 62.37 109.592 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' C' ' 6' ' ' THR . 3.6 t -131.75 -163.53 1.34 Allowed 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.999 -1.111 . . . . 57.88 107.999 178.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' THR . . . . . 0.435 ' N ' ' OG1' ' C' ' 5' ' ' THR . 5.6 t -141.25 144.17 34.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.403 -0.811 . . . . 59.16 109.918 -173.239 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mt -124.65 138.72 53.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.209 -1.034 . . . . 50.21 108.209 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -86.62 130.83 34.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 45.47 110.174 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.73 162.21 39.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.821 -0.807 . . . . 50.4 108.821 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 21.7 p -67.25 143.12 56.65 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.392 -0.966 . . . . 52.33 108.392 165.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 6.0 t -61.64 -31.87 71.99 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.045 -0.662 . . . . 54.24 111.527 -174.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.38 -44.48 91.23 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.948 -0.701 . . . . 61.52 111.254 175.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 36.4 m -64.19 -37.36 87.17 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.859 -0.736 . . . . 44.91 111.105 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ARG . . . . . 0.56 ' NH1' ' O ' ' D' ' 6' ' ' THR . 13.1 ttt85 -61.63 -39.16 90.3 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.834 -1.146 . . . . 70.66 110.748 175.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.47 -41.9 96.23 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.951 -1.1 . . . . 45.36 110.829 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ARG . . . . . 0.403 ' NH2' ' OE2' ' D' ' 40' ' ' GLU . 77.2 mtp180 -67.07 -41.22 86.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.511 -0.876 . . . . 42.03 111.397 -178.462 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.74 -36.97 85.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.707 -0.397 . . . . 40.47 111.536 175.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.66 81.1 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.63 -0.428 . . . . 41.65 110.973 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . 0.562 ' O ' ' OE1' ' C' ' 23' ' ' GLU . . . -48.49 -61.14 2.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.369 -0.532 . . . . 46.22 110.758 166.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -55.04 -37.9 67.29 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.915 -0.714 . . . . 47.01 111.651 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -47.12 79.22 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.952 -0.699 . . . . 42.99 111.037 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -73.02 -24.87 60.79 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.223 -0.991 . . . . 52.84 112.318 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' C' ' 19' ' ' ALA . 2.3 mp0 -60.9 -47.3 87.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.063 0.392 . . . . 91.93 110.978 172.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -81.49 -1.03 44.48 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.985 0.735 . . . . 51.41 112.985 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.47 71.95 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 115.146 0.818 . . . . 52.72 115.146 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 pt -127.38 165.23 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 118.154 0.977 . . . . 44.35 109.807 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 92.3 p -72.28 157.76 37.1 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.003 -0.999 . . . . 39.04 110.309 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 2.9 tpp -61.82 -39.87 93.3 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.157 -0.929 . . . . 59.75 111.247 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 34.1 t -56.26 -49.32 74.54 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.742 0.306 . . . . 44.51 111.215 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.817 -0.353 . . . . 40.06 111.317 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.09 -46.15 86.0 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.554 -0.458 . . . . 40.54 111.086 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.64 -28.0 64.48 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.134 -1.026 . . . . 41.3 111.678 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' THR . . . . . . . . . . . . . 84.1 m -63.49 -50.92 67.76 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.304 -0.958 . . . . 37.4 110.535 171.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.68 -48.28 75.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.63 0.252 . . . . 64.31 111.63 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.71 -31.47 69.5 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.055 -0.403 . . . . 38.19 111.822 -176.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.79 -44.03 97.68 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.212 -0.595 . . . . 35.79 110.962 172.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.61 86.69 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.14 -1.024 . . . . 36.45 111.256 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -62.69 -45.61 91.96 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.736 -0.786 . . . . 67.47 111.108 176.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.87 97.65 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.17 -0.612 . . . . 40.23 111.279 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' GLU . . . . . 0.622 ' OE2' ' NE ' ' D' ' 16' ' ' ARG . 63.8 mt-10 -54.88 -50.18 69.34 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.045 -0.409 . . . . 45.41 111.101 175.345 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' ARG . . . . . . . . . . . . . 92.2 mtm-85 -59.55 -41.74 90.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 119.675 -0.81 . . . . 49.28 111.184 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.33 -46.76 88.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.921 -0.712 . . . . 62.58 111.147 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.97 88.94 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.502 -0.479 . . . . 34.96 111.074 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.81 -51.77 67.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.2 0.524 . . . . 38.31 110.561 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -66.98 -36.91 83.23 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.858 -0.737 . . . . 42.41 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -63.88 -38.12 89.93 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 119.614 -0.834 . . . . 65.0 111.16 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.74 87.32 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 120.273 -0.571 . . . . 43.93 110.803 175.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.41 -48.6 66.84 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 118.895 -1.122 . . . . 43.45 110.959 178.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -55.87 -51.9 65.93 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.276 0.56 . . . . 47.17 110.947 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -61.07 -46.12 91.95 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.136 -0.484 . . . . 72.29 111.538 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.13 86.65 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.068 -0.653 . . . . 52.43 111.925 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.2 p -65.63 -45.71 82.0 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 119.925 -0.71 . . . . 68.64 111.649 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' HIS . . . . . 0.461 ' O ' ' OG1' ' C' ' 56' ' ' THR . 1.8 t-80 -61.94 -39.03 90.69 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.375 -0.93 . . . . 91.4 110.851 179.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.81 -32.42 73.93 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.266 -0.974 . . . . 66.17 111.04 175.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' GLU . . . . . 0.465 ' OE2' ' N ' ' B' ' 55' ' ' SER . 10.5 mt-10 -80.55 -11.65 59.63 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.013 0.746 . . . . 66.69 113.013 -176.206 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' C' ' 53' ' ' HIS . 9.9 p -62.17 -31.94 72.5 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.164 -1.014 . . . . 78.95 111.623 172.389 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 57' ' ' THR . . . . . . . . . . . . . . . -68.64 -38.07 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.973 -0.691 . . . . 86.54 111.255 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . . . -69.9 116.98 10.91 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.21 -0.306 . . . . 84.93 111.014 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -23.66 39.33 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.121 -0.491 . . . . 91.25 111.83 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.42 75.1 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 119.101 -1.04 . . . . 77.21 110.904 171.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.45 -46.76 91.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 CA-C-O 121.085 0.469 . . . . 75.99 110.036 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 62' ' ' ARG . . . . . . . . . . . . . . . -61.04 -43.92 98.17 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.953 -0.467 . . . . 66.27 111.515 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.9 -45.2 86.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.851 0.358 . . . . 72.32 110.839 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.12 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.547 -0.461 . . . . 68.19 111.306 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -72.26 -29.48 63.94 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.679 . . . . 77.8 111.668 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . . . -63.52 -41.39 98.5 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 119.869 -0.732 . . . . 67.81 111.243 172.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . . . -65.56 -39.67 91.94 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.584 -0.447 . . . . 66.06 111.356 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 68' ' ' TRP . . . . . . . . . . . . . 49.6 m95 -70.7 -24.74 62.71 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.15 -1.02 . . . . 61.43 111.738 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . . . -68.07 -12.01 60.05 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.381 -0.528 . . . . 58.57 111.918 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.21 -28.52 72.34 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 119.489 -1.339 . . . . 54.04 112.492 176.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 28.5 p -74.71 -2.07 24.68 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.842 0.682 . . . . 49.08 112.842 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 72' ' ' VAL . . . . . . . . . . . . . 14.4 p -55.85 -32.48 32.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 118.234 0.47 . . . . 47.36 111.589 -167.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.28 15.3 62.51 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 115.282 0.873 . . . . 52.13 115.282 -175.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.43 143.39 50.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.706 1.253 . . . . 52.42 111.832 -171.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.86 12.7 71.37 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 115.814 1.085 . . . . 52.38 115.814 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 76' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--O 1.239 0.544 0 CA-C-N 118.26 1.03 . . . . 73.43 112.012 -177.854 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.778 0.323 . . . . 78.25 111.119 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 13.7 t -158.65 140.91 14.05 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.161 -0.681 . . . . 54.47 109.161 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 10.1 t -141.22 -169.2 2.8 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.556 -0.905 . . . . 48.89 108.556 -175.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' THR . . . . . 0.56 ' O ' ' NH1' ' C' ' 14' ' ' ARG . 47.5 p -136.88 127.76 27.44 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.703 -0.481 . . . . 54.24 109.703 -179.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.13 153.74 5.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 108.441 -0.948 . . . . 53.08 108.441 172.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -104.88 128.12 52.97 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.123 -0.489 . . . . 76.4 110.978 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -129.69 166.44 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.733 -1.21 . . . . 46.7 107.733 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -65.35 151.47 46.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.398 -0.819 . . . . 47.15 109.394 168.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 29.3 p -64.23 -30.36 71.42 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.974 -0.69 . . . . 63.23 111.369 -179.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' GLN . . . . . 0.678 ' N ' ' OE1' ' D' ' 12' ' ' GLN . 6.4 mp0 -62.73 -49.78 73.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 120.986 0.422 . . . . 70.39 110.531 174.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' THR . . . . . . . . . . . . . 85.4 m -59.97 -40.45 89.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.54 -0.464 . . . . 42.49 111.197 176.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -60.88 -44.43 97.1 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.856 -0.738 . . . . 46.04 110.772 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -63.81 -42.28 97.71 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.706 -0.798 . . . . 44.12 110.803 -178.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' ARG . . . . . 0.622 ' NE ' ' OE2' ' C' ' 40' ' ' GLU . 74.7 mtp180 -64.39 -43.67 93.72 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.98 -0.688 . . . . 47.8 110.91 179.632 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.45 -37.3 77.77 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 111.641 0.237 . . . . 40.3 111.641 174.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.13 80.02 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.978 -0.451 . . . . 37.97 110.847 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.84 74.83 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.474 -0.49 . . . . 38.47 111.321 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -73.62 -36.9 65.53 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.936 -1.105 . . . . 46.49 111.32 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.14 97.69 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.681 -0.408 . . . . 39.58 111.175 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -63.45 -42.07 98.65 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.757 -0.377 . . . . 50.96 111.155 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.3 -39.49 93.18 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.402 -0.519 . . . . 66.8 111.155 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -85.06 -4.5 59.18 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.058 0.762 . . . . 62.84 113.058 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.66 31.79 79.54 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 114.729 0.652 . . . . 44.82 114.729 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.89 170.73 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 117.996 0.898 . . . . 40.85 108.768 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -77.57 155.58 31.44 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.162 -0.927 . . . . 39.18 110.438 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 65.0 mtp -61.98 -29.89 70.56 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.384 -0.825 . . . . 57.98 111.702 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -61.77 -55.27 31.87 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.059 0.457 . . . . 46.14 110.912 173.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.56 82.47 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.68 -0.408 . . . . 39.84 111.281 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.73 -47.69 81.71 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.3 -0.56 . . . . 37.52 110.918 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.84 -28.14 69.35 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.874 -0.73 . . . . 44.16 111.553 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' THR . . . . . . . . . . . . . 92.0 m -65.13 -44.17 89.56 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 118.895 -1.122 . . . . 38.39 110.9 170.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.43 -48.31 82.3 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.399 -0.52 . . . . 47.88 111.287 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.25 -31.01 71.58 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.602 -0.439 . . . . 39.29 111.509 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.92 -54.52 45.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.535 -0.466 . . . . 38.58 110.287 171.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.52 62.85 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 120.599 -0.44 . . . . 41.69 111.562 176.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -59.17 -43.57 92.14 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.662 -0.244 . . . . 59.77 111.577 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.0 91.93 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.641 -0.423 . . . . 43.07 110.924 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' GLU . . . . . 0.403 ' OE2' ' NH2' ' C' ' 16' ' ' ARG . 16.7 mt-10 -62.0 -41.04 97.61 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.306 -0.558 . . . . 46.18 111.617 -175.972 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttm-85 -57.94 -47.76 81.91 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 119.326 -0.95 . . . . 69.69 111.16 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.19 -30.34 70.27 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.655 -0.818 . . . . 57.49 111.755 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.81 78.7 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.385 -0.926 . . . . 40.9 111.412 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.78 -55.11 23.5 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 CA-C-O 121.537 0.684 . . . . 41.22 109.988 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -64.53 -40.53 95.77 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.135 -1.026 . . . . 38.14 111.95 -177.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' ARG . . . . . 0.769 ' NH1' ' OE2' ' D' ' 50' ' ' GLU . 12.9 ttm-85 -63.61 -31.42 72.59 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.162 -1.015 . . . . 81.8 111.418 176.695 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.64 96.64 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 120.349 -0.54 . . . . 42.21 110.594 174.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.58 -44.77 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 118.263 -1.375 . . . . 47.37 111.222 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.91 -43.38 98.62 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 119.483 -0.887 . . . . 55.4 110.796 -175.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' GLU . . . . . 0.769 ' OE2' ' NH1' ' D' ' 46' ' ' ARG . 13.9 mt-10 -64.72 -46.62 81.52 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.791 -0.364 . . . . 73.01 111.649 178.499 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.17 78.58 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.864 -0.734 . . . . 51.52 111.202 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -62.48 -40.29 96.18 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 122.09 -0.381 . . . . 60.52 111.332 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -67.5 -41.39 84.59 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 118.268 -1.373 . . . . 73.67 111.045 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -25.17 65.47 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.893 -0.723 . . . . 65.36 111.954 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -99.42 16.53 22.85 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.602 0.593 . . . . 67.78 112.602 -173.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 117.921 0.328 . . . . 84.89 110.892 -176.749 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.795 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . 0.598 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . 0.563 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . 0.428 ' O ' ' NH2' ' A' ' 101' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.42 0 N-CA-C 114.145 0.418 . . . . 74.07 114.145 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 147.86 32.97 Favored 'Trans proline' 0 C--N 1.332 -0.311 0 O-C-N 122.636 0.808 . . . . 70.93 112.657 -175.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . . . -94.19 118.11 31.08 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.92 -1.036 . . . . 64.62 108.809 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.49 -5.82 23.59 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.655 0.613 . . . . 67.45 112.655 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . -75.18 -61.59 1.85 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.851 0.358 . . . . 82.41 111.955 -162.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.84 10.54 41.08 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.726 -0.609 . . . . 67.3 112.232 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.667 ' HB3' HD13 ' A' ' 37' ' ' LEU . 6.0 mm-40 -102.0 148.75 35.79 Favored Pre-proline 0 C--N 1.281 -2.37 0 C-N-CA 117.463 -1.695 . . . . 71.18 111.191 -172.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . 0.515 ' HG3' HD12 ' A' ' 88' ' ' LEU . 72.2 Cg_endo -56.2 150.56 48.25 Favored 'Trans proline' 0 CA--C 1.52 -0.203 0 N-CA-C 110.391 -0.657 . . . . 50.09 110.391 173.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -119.55 145.31 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.857 -0.794 . . . . 44.78 108.857 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -60.96 141.56 57.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.661 -0.7 . . . . 36.22 109.425 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -12.21 61.95 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-O 119.136 -0.813 . . . . 34.1 114.903 -172.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.2 153.85 35.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 118.694 1.247 . . . . 45.2 110.724 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 tp -104.19 122.9 46.31 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.062 -0.972 . . . . 37.06 108.716 167.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -121.46 152.39 39.17 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.818 1.247 . . . . 40.74 109.759 -175.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' HG22 ' A' ' 89' ' ' VAL . 18.4 tp -86.0 125.45 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.088 -1.078 . . . . 39.98 108.088 168.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 88' ' ' LEU . 7.6 t -114.27 137.28 48.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.237 -1.023 . . . . 42.47 108.237 -174.607 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 124.7 39.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.585 -1.265 . . . . 55.74 107.585 173.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD12 HG22 ' C' ' 72' ' ' VAL . 2.1 mm? -115.0 53.54 0.81 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.778 -0.769 . . . . 68.7 110.73 -179.518 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' HA3' ' HE3' ' A' ' 24' ' ' LYS . . . -86.48 -122.65 1.45 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-O 117.627 -1.651 . . . . 71.8 110.461 176.308 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 128.302 2.641 . . . . 72.34 113.736 -0.462 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HE3' ' HA3' ' A' ' 15' ' ' GLY . 3.9 pttt . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.603 0.716 . . . . 72.59 110.815 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -97.48 155.87 16.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.878 -1.055 . . . . 71.79 109.201 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -145.76 146.74 30.17 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 124.532 1.133 . . . . 68.57 108.634 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.6 152.92 38.56 Favored 'Trans proline' 0 C--N 1.323 -0.776 0 N-CA-C 109.282 -1.084 . . . . 35.99 109.282 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.79 156.45 36.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.891 -1.05 . . . . 33.16 108.895 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.41 126.45 51.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 114.781 -1.099 . . . . 37.46 108.702 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 4' ' ' PRO . 81.9 t -74.1 123.08 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.598 -0.89 . . . . 36.66 108.598 173.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -120.61 -10.55 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 N-CA-C 113.131 0.789 . . . . 35.93 113.131 -177.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 p -79.74 152.17 29.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.484 1.038 . . . . 35.91 109.713 172.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -74.45 155.53 6.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.121 -0.696 . . . . 35.29 109.121 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -15.25 59.53 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.649 -0.821 . . . . 41.89 112.432 -175.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -65.45 -12.92 57.06 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.115 0.783 . . . . 59.45 113.115 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 mt -80.78 -19.21 45.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.836 0.744 . . . . 41.13 112.891 177.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 3' ' ' GLU . 45.4 mt -77.8 137.46 38.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.081 0.467 . . . . 53.08 111.708 -171.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -122.61 5.25 9.53 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.947 -0.57 . . . . 58.4 111.815 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 12.8 83.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-O 119.289 -0.729 . . . . 78.69 114.567 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 42' ' ' ASP . 1.7 pp -101.7 159.45 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 118.183 0.991 . . . . 69.38 108.834 176.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.21 -32.37 38.56 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.088 1.144 . . . . 88.29 114.088 -170.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' H ' HD12 ' A' ' 40' ' ' ILE . 88.1 m-20 -81.46 -8.8 59.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 114.124 1.157 . . . . 75.64 114.124 -174.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.66 150.55 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 119.097 0.862 . . . . 56.3 111.581 -176.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -92.63 131.23 37.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.178 -0.919 . . . . 44.75 110.516 -174.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -115.66 128.36 72.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 125.839 1.656 . . . . 35.85 107.131 173.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.75 127.79 42.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.533 -0.914 . . . . 34.48 108.533 -175.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.02 158.76 43.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.92 0.867 . . . . 32.8 109.527 -174.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.2 t -113.53 115.13 47.12 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 107.574 -1.269 . . . . 34.86 107.574 175.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.55 143.29 81.21 Favored 'Trans proline' 0 C--N 1.332 -0.33 0 CA-C-N 119.182 0.743 . . . . 37.07 111.068 -177.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.67 129.86 63.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.601 -0.888 . . . . 35.96 108.601 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 t -121.14 138.01 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 49.99 109.908 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.6 p -99.54 0.53 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.908 0.707 . . . . 45.79 112.908 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.0 p -117.42 -18.92 9.71 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.953 1.094 . . . . 62.77 113.953 -176.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -83.07 147.74 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.992 0.815 . . . . 75.42 110.824 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 p -71.52 155.1 40.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.167 -0.924 . . . . 57.33 109.781 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.53 139.77 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.295 -0.866 . . . . 84.93 110.392 -176.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 p -141.88 165.13 29.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.62 -1.252 . . . . 39.61 107.62 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.04 -33.87 90.84 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 N-CA-C 113.997 0.73 . . . . 36.6 113.997 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.18 5.51 29.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 118.886 0.767 . . . . 36.1 112.783 177.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -127.69 76.3 77.23 Favored Pre-proline 0 C--O 1.238 0.464 0 N-CA-C 108.197 -1.038 . . . . 46.14 108.197 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.17 144.06 95.24 Favored 'Trans proline' 0 C--O 1.241 0.637 0 C-N-CA 120.182 0.588 . . . . 35.53 110.827 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.25 152.48 39.69 Favored 'Trans proline' 0 C--N 1.329 -0.5 0 CA-C-O 122.147 0.811 . . . . 40.85 112.188 -175.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.9 127.84 71.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 107.598 -1.26 . . . . 35.45 107.598 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.92 156.64 35.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 C-N-CA 125.668 1.587 . . . . 41.93 110.748 -170.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -56.96 -28.42 77.99 Favored 'Trans proline' 0 C--O 1.238 0.485 0 N-CA-C 113.235 0.436 . . . . 40.0 113.235 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.7 p -62.75 -14.06 40.33 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.519 0.6 . . . . 41.25 112.56 174.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -104.4 1.68 30.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.013 0.746 . . . . 41.9 113.013 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.53 -11.3 8.0 Favored Glycine 0 C--O 1.24 0.483 0 N-CA-C 116.061 1.184 . . . . 36.0 116.061 169.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.6 m -82.56 161.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.826 1.813 . . . . 34.5 109.983 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -32.51 33.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.6 -0.727 . . . . 40.68 111.66 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.21 158.62 43.75 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.619 -0.882 . . . . 39.62 108.619 175.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -42.11 126.3 3.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.553 -0.749 . . . . 50.07 111.717 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.9 m -138.13 -178.77 5.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.293 0.568 . . . . 35.25 109.724 -173.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.29 146.72 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.617 0.723 . . . . 32.44 109.427 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.07 106.79 18.7 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.214 -1.032 . . . . 31.17 108.214 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.13 84.15 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.415 -0.957 . . . . 29.56 108.415 -175.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.33 -26.83 68.65 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.281 -0.567 . . . . 33.78 111.591 -174.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -62.71 -26.84 68.88 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.779 -0.768 . . . . 45.17 111.383 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.74 12.36 59.61 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 115.691 1.036 . . . . 28.03 115.691 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -50.82 139.82 5.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 118.268 1.034 . . . . 36.52 110.431 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' B' ' 81' ' ' ARG . 10.3 ptp180 -159.38 145.83 16.53 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.037 -0.665 . . . . 46.25 110.472 -178.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.47 133.26 36.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.424 -0.807 . . . . 36.46 109.777 169.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 m -129.29 154.01 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 108.868 -0.79 . . . . 43.26 108.868 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 137.16 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.865 -0.734 . . . . 40.33 109.097 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -23.92 30.58 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.212 -0.595 . . . . 54.63 111.893 -176.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.18 -16.5 63.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.798 0.666 . . . . 43.03 112.798 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.5 mtt-85 -82.94 -4.66 58.48 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.096 -1.042 . . . . 51.08 112.406 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . 0.515 HD12 ' HG3' ' A' ' 4' ' ' PRO . 16.1 mt -88.61 113.68 24.43 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.488 -1.301 . . . . 49.51 107.488 176.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 11' ' ' LEU . 12.2 m -95.58 -52.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.791 0.293 . . . . 48.14 111.791 -170.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -148.55 146.73 28.42 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.052 -1.059 . . . . 62.75 110.788 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . 0.488 ' NH1' ' O ' ' A' ' 305' ' ' HOH . 71.0 ttt-85 -73.95 127.66 33.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.015 -0.993 . . . . 47.28 110.532 176.223 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.9 mt -95.99 -32.03 12.78 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.517 0.932 . . . . 42.78 113.517 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.34 -164.43 36.2 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.114 -1.041 . . . . 36.88 111.371 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -134.67 142.76 46.93 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.902 -0.649 . . . . 40.32 109.389 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.66 141.34 29.84 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.166 -0.47 . . . . 40.47 111.312 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . 0.598 ' NZ ' ' O ' ' A' ' 303' ' ' HOH . 10.6 mtmm -53.74 141.11 47.51 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.645 -0.707 . . . . 48.39 109.31 169.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.02 -33.64 96.08 Favored 'Trans proline' 0 C--O 1.239 0.547 0 CA-C-N 118.781 0.6 . . . . 43.2 113.34 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -36.66 84.42 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.105 -0.638 . . . . 36.17 111.287 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -62.89 -45.87 90.52 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.087 -0.645 . . . . 38.1 110.26 177.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 62.5 mmm -59.62 -39.25 83.67 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.75 -0.38 . . . . 41.07 111.149 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -64.99 -35.92 82.73 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.424 -0.91 . . . . 52.35 111.494 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -39.75 80.32 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.494 -0.882 . . . . 34.83 111.417 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.53 -42.31 93.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.824 0.345 . . . . 39.07 110.614 175.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.69 -41.65 99.22 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.829 -0.545 . . . . 43.02 111.2 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -69.04 -40.46 78.57 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.153 -1.019 . . . . 50.53 111.369 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.38 88.76 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.551 -0.46 . . . . 34.12 111.042 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.35 -39.34 92.8 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.119 -0.632 . . . . 34.42 110.884 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 113' ' ' LEU . 53.7 m -59.46 -43.55 93.19 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.16 -0.616 . . . . 38.64 110.645 179.101 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.01 -43.37 78.99 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.405 -0.918 . . . . 42.48 111.567 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.47 -40.92 88.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 120.89 0.376 . . . . 33.34 111.065 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.44 10.94 30.23 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.535 0.939 . . . . 40.73 113.535 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 59.97 35.69 87.88 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 120.39 -0.91 . . . . 43.88 113.34 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . 0.474 ' HB2' HG23 ' A' ' 108' ' ' THR . 33.3 mt -85.77 146.61 44.08 Favored Pre-proline 0 C--N 1.298 -1.634 0 C-N-CA 118.63 -1.228 . . . . 51.67 110.461 -179.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -79.01 128.44 8.34 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 CA-C-O 117.914 -0.952 . . . . 63.68 113.692 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 106.606 -1.628 . . . . 85.03 106.606 -11.497 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.976 0.417 . . . . 61.15 110.81 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . -94.14 129.3 40.76 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.991 -0.55 . . . . 53.48 109.934 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ALA . . . . . 0.455 ' HB1' ' CH2' ' B' ' 10' ' ' TRP . . . -55.78 150.06 13.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.494 0.664 . . . . 49.86 111.176 -178.958 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -113.34 84.88 7.99 Favored Pre-proline 0 C--O 1.241 0.607 0 N-CA-C 108.129 -1.063 . . . . 83.01 108.129 174.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -88.8 146.03 5.64 Favored 'Trans proline' 0 CA--C 1.516 -0.387 0 C-N-CA 120.564 0.843 . . . . 46.16 111.559 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.26 147.86 47.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.06 -0.973 . . . . 70.75 109.113 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -60.88 140.38 57.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.469 -0.787 . . . . 36.13 109.148 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.17 -10.76 69.71 Favored Glycine 0 N--CA 1.441 -0.972 0 CA-C-O 119.232 -0.76 . . . . 35.17 114.883 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.26 152.81 39.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.645 1.223 . . . . 42.64 111.334 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -105.33 121.98 45.01 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.511 -1.292 . . . . 38.95 107.511 167.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' TRP . . . . . 0.455 ' CH2' ' HB1' ' B' ' 2' ' ' ALA . 20.9 m95 -121.76 151.27 40.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.653 0.781 . . . . 40.57 110.592 -174.245 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.0 tp -85.67 124.4 32.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.019 -1.104 . . . . 39.62 108.019 169.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 25' ' ' HIS . 12.2 t -115.3 139.25 42.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 121.248 0.547 . . . . 42.71 109.653 -174.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SER . . . . . 0.527 ' OG ' ' O ' ' B' ' 16' ' ' ALA . 6.0 t -93.26 130.1 39.09 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.271 1.029 . . . . 56.21 109.783 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -114.46 141.33 47.83 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.653 0.781 . . . . 61.87 109.733 -176.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.41 -16.94 4.47 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 115.452 0.941 . . . . 76.27 115.452 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ALA . . . . . 0.527 ' O ' ' OG ' ' B' ' 13' ' ' SER . . . -157.74 168.26 27.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.272 -1.381 . . . . 80.96 107.272 175.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 71.07 111.661 -177.871 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.41 0 N-CA-C 115.561 0.985 . . . . 68.58 115.561 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . 0.649 ' HD2' ' H ' ' B' ' 24' ' ' LYS . 4.7 mptt -87.56 120.36 28.78 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.058 0.456 . . . . 75.49 110.929 -173.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' B' ' 12' ' ' VAL . 70.0 m-70 -123.77 147.32 47.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.244 0.545 . . . . 54.26 110.682 176.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -148.56 147.32 24.76 Favored Pre-proline 0 CA--C 1.516 -0.338 0 N-CA-C 107.213 -1.403 . . . . 48.79 107.213 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -79.9 152.32 21.93 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 CA-C-O 121.775 0.656 . . . . 41.43 111.546 177.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.52 154.19 33.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 114.804 -1.089 . . . . 35.54 109.04 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.91 125.92 52.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 108.364 -0.976 . . . . 34.34 108.364 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.08 123.78 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 108.114 -1.069 . . . . 36.37 108.114 174.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.63 -10.83 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 113.343 0.868 . . . . 36.73 113.343 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.9 p -79.84 152.87 29.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.354 0.979 . . . . 38.02 110.053 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.4 155.04 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.828 0.823 . . . . 39.45 109.943 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.32 -17.14 56.97 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.47 -0.786 . . . . 43.05 112.749 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -61.95 -12.59 19.07 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.596 0.635 . . . . 53.96 112.696 175.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 mt -82.71 -18.43 40.89 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.972 0.73 . . . . 39.27 112.972 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 mt -76.77 131.22 38.59 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.44 0.563 . . . . 46.68 110.865 -170.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' THR . . . . . 0.454 HG23 HG12 ' B' ' 40' ' ' ILE . 6.5 t -129.84 7.66 5.2 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.677 0.992 . . . . 64.49 113.677 176.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.95 20.76 57.19 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 116.995 1.558 . . . . 59.36 116.995 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ILE . . . . . 0.454 HG12 HG23 ' B' ' 38' ' ' THR . 8.9 mm -94.69 156.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 118.99 1.395 . . . . 63.91 108.849 178.147 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.27 -39.73 28.33 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.737 -0.785 . . . . 74.95 111.005 -177.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -86.68 -2.39 58.49 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 113.504 0.927 . . . . 80.76 113.504 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -63.76 148.51 49.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.166 0.894 . . . . 48.38 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . 0.496 ' HB3' ' HB1' ' B' ' 82' ' ' ALA . 96.1 mt -93.57 131.24 39.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.415 -0.811 . . . . 37.64 110.237 -171.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.2 t -115.42 125.93 72.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.056 -1.831 . . . . 34.43 106.056 173.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.94 126.75 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.279 -1.008 . . . . 32.55 108.279 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.8 159.66 42.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 122.183 0.992 . . . . 30.52 109.437 -174.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -114.52 115.92 44.06 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.58 -1.267 . . . . 33.07 107.58 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HB3' ' CE2' ' C' ' 68' ' ' TRP . 23.7 Cg_exo -63.61 143.9 88.48 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 CA-C-N 119.386 0.817 . . . . 35.84 111.093 -177.435 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -108.88 128.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 107.781 -1.192 . . . . 38.82 107.781 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 41.0 t -121.98 138.88 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.461 0.704 . . . . 40.91 110.703 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.1 p -98.29 2.12 47.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.729 -0.668 . . . . 46.09 112.334 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -117.6 -20.58 8.92 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 114.963 1.468 . . . . 51.48 114.963 -175.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.54 148.17 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 119.566 1.076 . . . . 61.68 110.392 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -71.81 155.29 40.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 122.2 1.0 . . . . 58.08 110.214 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . 0.409 ' HG2' ' NH1' ' B' ' 56' ' ' ARG . 4.8 tpt180 -81.49 136.4 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.82 -1.082 . . . . 78.41 112.185 -176.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 29.9 p -143.9 165.85 22.31 Favored Pre-proline 0 C--N 1.346 0.452 0 C-N-CA 125.381 1.473 . . . . 44.36 109.412 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -57.02 -32.27 92.6 Favored 'Trans proline' 0 C--O 1.238 0.511 0 CA-C-N 119.407 0.824 . . . . 42.06 113.683 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.85 4.99 26.84 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.949 0.722 . . . . 38.82 112.949 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -128.51 75.69 79.18 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 107.816 -1.179 . . . . 45.37 107.816 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -61.39 146.71 96.92 Favored 'Trans proline' 0 C--O 1.246 0.888 0 N-CA-C 110.804 -0.498 . . . . 42.59 110.804 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.23 151.18 43.31 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-O 121.687 0.62 . . . . 47.16 111.753 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 65.3 t -126.3 127.71 70.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 107.938 -1.134 . . . . 41.83 107.938 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.93 156.21 35.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 44.63 111.198 -170.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.29 -28.74 81.17 Favored 'Trans proline' 0 C--O 1.237 0.467 0 N-CA-C 114.105 0.771 . . . . 47.63 114.105 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 40.5 p -62.85 -12.69 26.42 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.936 0.789 . . . . 45.88 112.612 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -102.82 2.68 35.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.307 0.484 . . . . 45.12 112.307 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.55 -12.04 8.39 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-O 118.95 -0.916 . . . . 45.31 115.304 168.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.92 160.26 3.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 119.436 1.618 . . . . 42.07 110.111 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.76 26.73 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.092 -0.958 . . . . 49.94 112.177 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.14 159.66 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.906 -0.776 . . . . 44.42 108.906 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -43.47 123.89 3.24 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.581 -0.736 . . . . 53.88 110.425 172.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.1 m -139.3 177.14 8.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.599 -0.889 . . . . 41.22 108.599 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 26.6 m -132.88 149.72 32.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.812 -0.81 . . . . 36.9 108.812 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.01 107.94 19.53 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.465 -0.939 . . . . 36.35 108.465 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.37 83.48 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.345 -0.613 . . . . 37.12 109.345 -175.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.1 m -64.5 -25.06 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 112.296 0.48 . . . . 34.25 112.296 -174.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -63.04 -27.43 69.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.087 -0.645 . . . . 43.9 111.589 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.67 13.04 57.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-O 118.785 -1.008 . . . . 35.34 115.345 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 p -50.42 137.44 7.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 118.515 1.158 . . . . 31.6 109.966 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 9.6 ptp180 -159.62 146.94 16.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 119.52 -0.872 . . . . 46.44 109.875 -177.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' B' ' 44' ' ' LEU . . . -78.68 134.0 37.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.305 -0.861 . . . . 41.67 109.199 169.217 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.52 154.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.492 -0.929 . . . . 39.84 108.492 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.86 140.98 55.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.726 -0.79 . . . . 39.91 110.298 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -61.95 -28.94 69.9 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.669 -0.696 . . . . 49.93 111.983 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.9 -13.62 60.02 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.793 0.664 . . . . 43.83 112.793 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -84.14 -2.86 57.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 113.04 0.755 . . . . 47.33 113.04 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.74 116.93 23.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.205 -0.665 . . . . 41.69 109.205 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.61 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.571 -0.286 . . . . 41.21 111.642 -169.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -150.93 144.7 25.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.112 -0.699 . . . . 64.43 109.112 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -73.69 125.41 28.0 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.066 -0.716 . . . . 42.2 109.066 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.12 -30.02 15.47 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.267 -0.424 . . . . 41.19 111.833 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.15 -165.03 36.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.282 -1.437 . . . . 37.03 110.91 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -133.61 143.14 48.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.455 -0.872 . . . . 39.63 108.797 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mp -86.3 146.59 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 40.26 109.639 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -65.47 156.76 81.15 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.719 -0.673 . . . . 65.1 109.798 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -61.11 -34.41 89.6 Favored 'Trans proline' 0 C--O 1.238 0.496 0 N-CA-C 113.919 0.7 . . . . 51.24 113.919 178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.1 89.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 119.377 -0.929 . . . . 46.8 111.069 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 33.9 m -65.07 -45.74 84.06 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.547 -0.861 . . . . 46.65 110.205 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 54.2 mmm -59.52 -40.11 86.08 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.409 -0.516 . . . . 40.21 110.996 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -66.35 -35.48 80.46 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.118 -1.033 . . . . 69.38 111.529 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.47 82.89 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.761 -0.776 . . . . 38.62 111.221 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 52.0 mt -61.72 -41.38 90.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.82 0.343 . . . . 37.88 110.589 174.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.62 -41.54 98.26 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.856 -0.527 . . . . 39.63 111.62 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -69.1 -40.44 78.38 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.427 -0.909 . . . . 50.08 110.711 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.46 88.25 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.658 -0.417 . . . . 33.01 110.917 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.85 -39.74 95.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.168 -0.613 . . . . 34.39 111.044 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' THR . . . . . 0.6 HG23 ' HB2' ' B' ' 113' ' ' LEU . 55.5 m -60.19 -42.74 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.863 -0.735 . . . . 37.66 110.837 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.23 -43.13 82.74 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.017 -1.073 . . . . 40.4 111.654 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.82 -41.78 91.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.743 -0.383 . . . . 35.67 111.078 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.45 11.32 26.62 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.65 0.981 . . . . 35.99 113.65 -174.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 60.76 36.94 92.76 Favored Glycine 0 C--O 1.238 0.357 0 C-N-CA 120.732 -0.747 . . . . 41.94 114.306 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' LEU . . . . . 0.6 ' HB2' HG23 ' B' ' 108' ' ' THR . 34.0 mt -85.43 147.23 46.4 Favored Pre-proline 0 C--N 1.28 -2.417 0 C-N-CA 118.629 -1.228 . . . . 48.94 110.752 -179.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.342 0.234 0 C-N-CA 123.172 2.582 . . . . 58.96 112.994 -179.954 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.97 0.414 . . . . 85.29 110.606 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 6.1 p -135.98 138.8 42.64 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.958 -0.756 . . . . 77.17 108.958 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' SER . . . . . . . . . . . . . 54.1 p -132.46 150.83 52.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 62.37 109.592 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' C' ' 6' ' ' THR . 3.6 t -131.75 -163.53 1.34 Allowed 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.999 -1.111 . . . . 57.88 107.999 178.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' THR . . . . . 0.448 ' OG1' ' HB ' ' D' ' 6' ' ' THR . 5.6 t -141.25 144.17 34.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.403 -0.811 . . . . 59.16 109.918 -173.239 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mt -124.65 138.72 53.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.209 -1.034 . . . . 50.21 108.209 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -86.62 130.83 34.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 45.47 110.174 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.73 162.21 39.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.821 -0.807 . . . . 50.4 108.821 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 21.7 p -67.25 143.12 56.65 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.392 -0.966 . . . . 52.33 108.392 165.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 6.0 t -61.64 -31.87 71.99 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.045 -0.662 . . . . 54.24 111.527 -174.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.38 -44.48 91.23 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.948 -0.701 . . . . 61.52 111.254 175.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 36.4 m -64.19 -37.36 87.17 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.859 -0.736 . . . . 44.91 111.105 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ARG . . . . . 0.538 ' HD2' HG21 ' D' ' 5' ' ' THR . 13.1 ttt85 -61.63 -39.16 90.3 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.834 -1.146 . . . . 70.66 110.748 175.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.47 -41.9 96.23 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.951 -1.1 . . . . 45.36 110.829 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -67.07 -41.22 86.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.511 -0.876 . . . . 42.03 111.397 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.74 -36.97 85.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.707 -0.397 . . . . 40.47 111.536 175.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.66 81.1 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.63 -0.428 . . . . 41.65 110.973 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . 0.562 ' O ' ' OE1' ' C' ' 23' ' ' GLU . . . -48.49 -61.14 2.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.369 -0.532 . . . . 46.22 110.758 166.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -55.04 -37.9 67.29 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.915 -0.714 . . . . 47.01 111.651 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -47.12 79.22 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.952 -0.699 . . . . 42.99 111.037 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -73.02 -24.87 60.79 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.223 -0.991 . . . . 52.84 112.318 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' C' ' 19' ' ' ALA . 2.3 mp0 -60.9 -47.3 87.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.063 0.392 . . . . 91.93 110.978 172.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -81.49 -1.03 44.48 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.985 0.735 . . . . 51.41 112.985 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.47 71.95 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 115.146 0.818 . . . . 52.72 115.146 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 pt -127.38 165.23 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 118.154 0.977 . . . . 44.35 109.807 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 92.3 p -72.28 157.76 37.1 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.003 -0.999 . . . . 39.04 110.309 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 2.9 tpp -61.82 -39.87 93.3 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.157 -0.929 . . . . 59.75 111.247 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 34.1 t -56.26 -49.32 74.54 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.742 0.306 . . . . 44.51 111.215 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.817 -0.353 . . . . 40.06 111.317 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.09 -46.15 86.0 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.554 -0.458 . . . . 40.54 111.086 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.64 -28.0 64.48 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.134 -1.026 . . . . 41.3 111.678 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' THR . . . . . . . . . . . . . 84.1 m -63.49 -50.92 67.76 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.304 -0.958 . . . . 37.4 110.535 171.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.68 -48.28 75.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.63 0.252 . . . . 64.31 111.63 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.71 -31.47 69.5 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.055 -0.403 . . . . 38.19 111.822 -176.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.79 -44.03 97.68 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.212 -0.595 . . . . 35.79 110.962 172.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.61 86.69 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.14 -1.024 . . . . 36.45 111.256 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' GLN . . . . . 0.426 ' HG2' HH21 ' C' ' 41' ' ' ARG . 81.6 mt-30 -62.69 -45.61 91.96 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.736 -0.786 . . . . 67.47 111.108 176.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.87 97.65 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.17 -0.612 . . . . 40.23 111.279 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' NE ' ' D' ' 16' ' ' ARG . 63.8 mt-10 -54.88 -50.18 69.34 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.045 -0.409 . . . . 45.41 111.101 175.345 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 41' ' ' ARG . . . . . 0.426 HH21 ' HG2' ' C' ' 38' ' ' GLN . 92.2 mtm-85 -59.55 -41.74 90.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 119.675 -0.81 . . . . 49.28 111.184 -179.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.33 -46.76 88.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.921 -0.712 . . . . 62.58 111.147 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.97 88.94 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.502 -0.479 . . . . 34.96 111.074 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.81 -51.77 67.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.2 0.524 . . . . 38.31 110.561 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -66.98 -36.91 83.23 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.858 -0.737 . . . . 42.41 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -63.88 -38.12 89.93 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 119.614 -0.834 . . . . 65.0 111.16 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.74 87.32 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 120.273 -0.571 . . . . 43.93 110.803 175.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.41 -48.6 66.84 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 118.895 -1.122 . . . . 43.45 110.959 178.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -55.87 -51.9 65.93 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.276 0.56 . . . . 47.17 110.947 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -61.07 -46.12 91.95 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.136 -0.484 . . . . 72.29 111.538 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.13 86.65 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.068 -0.653 . . . . 52.43 111.925 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.2 p -65.63 -45.71 82.0 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 119.925 -0.71 . . . . 68.64 111.649 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' HIS . . . . . 0.42 ' O ' ' OG1' ' C' ' 56' ' ' THR . 1.8 t-80 -61.94 -39.03 90.69 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.375 -0.93 . . . . 91.4 110.851 179.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.81 -32.42 73.93 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.266 -0.974 . . . . 66.17 111.04 175.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -80.55 -11.65 59.63 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.013 0.746 . . . . 66.69 113.013 -176.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 56' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' C' ' 53' ' ' HIS . 9.9 p -62.17 -31.94 72.5 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.164 -1.014 . . . . 78.95 111.623 172.389 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 57' ' ' THR . . . . . . . . . . . . . . . -68.64 -38.07 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.973 -0.691 . . . . 86.54 111.255 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . . . -69.9 116.98 10.91 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.21 -0.306 . . . . 84.93 111.014 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -23.66 39.33 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.121 -0.491 . . . . 91.25 111.83 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.42 75.1 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 119.101 -1.04 . . . . 77.21 110.904 171.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.45 -46.76 91.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 CA-C-O 121.085 0.469 . . . . 75.99 110.036 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 62' ' ' ARG . . . . . . . . . . . . . . . -61.04 -43.92 98.17 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.953 -0.467 . . . . 66.27 111.515 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.9 -45.2 86.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.851 0.358 . . . . 72.32 110.839 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.12 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.547 -0.461 . . . . 68.19 111.306 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -72.26 -29.48 63.94 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.679 . . . . 77.8 111.668 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . . . -63.52 -41.39 98.5 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 119.869 -0.732 . . . . 67.81 111.243 172.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . . . -65.56 -39.67 91.94 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.584 -0.447 . . . . 66.06 111.356 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 68' ' ' TRP . . . . . 0.421 ' CE2' ' HB3' ' B' ' 49' ' ' PRO . 49.6 m95 -70.7 -24.74 62.71 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.15 -1.02 . . . . 61.43 111.738 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . . . -68.07 -12.01 60.05 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.381 -0.528 . . . . 58.57 111.918 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.21 -28.52 72.34 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 119.489 -1.339 . . . . 54.04 112.492 176.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 28.5 p -74.71 -2.07 24.68 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.842 0.682 . . . . 49.08 112.842 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 72' ' ' VAL . . . . . 0.447 HG22 HD12 ' A' ' 14' ' ' LEU . 14.4 p -55.85 -32.48 32.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 118.234 0.47 . . . . 47.36 111.589 -167.619 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 73' ' ' GLY . . . . . 0.507 ' HA2' HD12 ' C' ' 76' ' ' LEU . . . -97.28 15.3 62.51 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 115.282 0.873 . . . . 52.13 115.282 -175.079 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.43 143.39 50.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.706 1.253 . . . . 52.42 111.832 -171.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.86 12.7 71.37 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 115.814 1.085 . . . . 52.38 115.814 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 76' ' ' LEU . . . . . 0.507 HD12 ' HA2' ' C' ' 73' ' ' GLY . 13.6 mt . . . . . 0 C--O 1.239 0.544 0 CA-C-N 118.26 1.03 . . . . 73.43 112.012 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.778 0.323 . . . . 78.25 111.119 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 13.7 t -158.65 140.91 14.05 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.161 -0.681 . . . . 54.47 109.161 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' THR . . . . . 0.538 HG21 ' HD2' ' C' ' 14' ' ' ARG . 10.1 t -141.22 -169.2 2.8 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.556 -0.905 . . . . 48.89 108.556 -175.536 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 6' ' ' THR . . . . . 0.482 ' O ' ' NH1' ' C' ' 14' ' ' ARG . 47.5 p -136.88 127.76 27.44 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.703 -0.481 . . . . 54.24 109.703 -179.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.13 153.74 5.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 108.441 -0.948 . . . . 53.08 108.441 172.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -104.88 128.12 52.97 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.123 -0.489 . . . . 76.4 110.978 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -129.69 166.44 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.733 -1.21 . . . . 46.7 107.733 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -65.35 151.47 46.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.398 -0.819 . . . . 47.15 109.394 168.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 29.3 p -64.23 -30.36 71.42 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.974 -0.69 . . . . 63.23 111.369 -179.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' GLN . . . . . 0.639 ' OE1' ' N ' ' D' ' 12' ' ' GLN . 6.4 mp0 -62.73 -49.78 73.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 120.986 0.422 . . . . 70.39 110.531 174.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' THR . . . . . . . . . . . . . 85.4 m -59.97 -40.45 89.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.54 -0.464 . . . . 42.49 111.197 176.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -60.88 -44.43 97.1 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.856 -0.738 . . . . 46.04 110.772 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -63.81 -42.28 97.71 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.706 -0.798 . . . . 44.12 110.803 -178.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' ARG . . . . . 0.467 ' NE ' ' OE2' ' C' ' 40' ' ' GLU . 74.7 mtp180 -64.39 -43.67 93.72 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.98 -0.688 . . . . 47.8 110.91 179.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.45 -37.3 77.77 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 111.641 0.237 . . . . 40.3 111.641 174.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.13 80.02 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.978 -0.451 . . . . 37.97 110.847 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.84 74.83 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.474 -0.49 . . . . 38.47 111.321 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -73.62 -36.9 65.53 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.936 -1.105 . . . . 46.49 111.32 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.14 97.69 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.681 -0.408 . . . . 39.58 111.175 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -63.45 -42.07 98.65 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.757 -0.377 . . . . 50.96 111.155 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.3 -39.49 93.18 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.402 -0.519 . . . . 66.8 111.155 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -85.06 -4.5 59.18 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.058 0.762 . . . . 62.84 113.058 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.66 31.79 79.54 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 114.729 0.652 . . . . 44.82 114.729 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.89 170.73 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 117.996 0.898 . . . . 40.85 108.768 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -77.57 155.58 31.44 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.162 -0.927 . . . . 39.18 110.438 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 65.0 mtp -61.98 -29.89 70.56 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.384 -0.825 . . . . 57.98 111.702 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -61.77 -55.27 31.87 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.059 0.457 . . . . 46.14 110.912 173.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.56 82.47 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.68 -0.408 . . . . 39.84 111.281 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.73 -47.69 81.71 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.3 -0.56 . . . . 37.52 110.918 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.84 -28.14 69.35 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.874 -0.73 . . . . 44.16 111.553 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 33' ' ' THR . . . . . . . . . . . . . 92.0 m -65.13 -44.17 89.56 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 118.895 -1.122 . . . . 38.39 110.9 170.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.43 -48.31 82.3 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.399 -0.52 . . . . 47.88 111.287 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.25 -31.01 71.58 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.602 -0.439 . . . . 39.29 111.509 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 36' ' ' ALA . . . . . 0.673 ' O ' ' HG3' ' D' ' 40' ' ' GLU . . . -57.92 -54.52 45.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.535 -0.466 . . . . 38.58 110.287 171.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.52 62.85 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 120.599 -0.44 . . . . 41.69 111.562 176.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -59.17 -43.57 92.14 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.662 -0.244 . . . . 59.77 111.577 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.0 91.93 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.641 -0.423 . . . . 43.07 110.924 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' GLU . . . . . 0.673 ' HG3' ' O ' ' D' ' 36' ' ' ALA . 16.7 mt-10 -62.0 -41.04 97.61 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.306 -0.558 . . . . 46.18 111.617 -175.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttm-85 -57.94 -47.76 81.91 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 119.326 -0.95 . . . . 69.69 111.16 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.19 -30.34 70.27 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.655 -0.818 . . . . 57.49 111.755 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.81 78.7 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.385 -0.926 . . . . 40.9 111.412 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.78 -55.11 23.5 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 CA-C-O 121.537 0.684 . . . . 41.22 109.988 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -64.53 -40.53 95.77 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.135 -1.026 . . . . 38.14 111.95 -177.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 46' ' ' ARG . . . . . 0.769 ' NH1' ' OE2' ' D' ' 50' ' ' GLU . 12.9 ttm-85 -63.61 -31.42 72.59 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.162 -1.015 . . . . 81.8 111.418 176.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.64 96.64 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 120.349 -0.54 . . . . 42.21 110.594 174.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 48' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.58 -44.77 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 118.263 -1.375 . . . . 47.37 111.222 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 49' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.91 -43.38 98.62 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 119.483 -0.887 . . . . 55.4 110.796 -175.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 50' ' ' GLU . . . . . 0.769 ' OE2' ' NH1' ' D' ' 46' ' ' ARG . 13.9 mt-10 -64.72 -46.62 81.52 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.791 -0.364 . . . . 73.01 111.649 178.499 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.17 78.58 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.864 -0.734 . . . . 51.52 111.202 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -62.48 -40.29 96.18 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 122.09 -0.381 . . . . 60.52 111.332 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -67.5 -41.39 84.59 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 118.268 -1.373 . . . . 73.67 111.045 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -25.17 65.47 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.893 -0.723 . . . . 65.36 111.954 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 55' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -99.42 16.53 22.85 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.602 0.593 . . . . 67.78 112.602 -173.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 117.921 0.328 . . . . 84.89 110.892 -176.749 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . 0.598 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . 0.488 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.42 0 N-CA-C 114.145 0.418 . . . . 74.07 114.145 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 147.86 32.97 Favored 'Trans proline' 0 C--N 1.332 -0.311 0 O-C-N 122.636 0.808 . . . . 70.93 112.657 -175.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . . . -94.19 118.11 31.08 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 114.92 -1.036 . . . . 64.62 108.809 175.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -102.49 -5.82 23.59 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 112.655 0.613 . . . . 67.45 112.655 175.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . . . -75.18 -61.59 1.85 Allowed 'General case' 0 C--O 1.236 0.382 0 CA-C-O 120.851 0.358 . . . . 82.41 111.955 -162.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.84 10.54 41.08 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 121.726 -0.609 . . . . 67.3 112.232 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.667 ' HB3' HD13 ' A' ' 37' ' ' LEU . 6.0 mm-40 -102.0 148.75 35.79 Favored Pre-proline 0 C--N 1.281 -2.37 0 C-N-CA 117.463 -1.695 . . . . 71.18 111.191 -172.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.515 ' HG3' HD12 ' A' ' 88' ' ' LEU . 72.2 Cg_endo -56.2 150.56 48.25 Favored 'Trans proline' 0 CA--C 1.52 -0.203 0 N-CA-C 110.391 -0.657 . . . . 50.09 110.391 173.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . . . -119.55 145.31 46.48 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.857 -0.794 . . . . 44.78 108.857 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -60.96 141.56 57.19 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.661 -0.7 . . . . 36.22 109.425 -175.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.65 -12.21 61.95 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-O 119.136 -0.813 . . . . 34.1 114.903 -172.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -76.2 153.85 35.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 118.694 1.247 . . . . 45.2 110.724 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 tp -104.19 122.9 46.31 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.062 -0.972 . . . . 37.06 108.716 167.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 15.5 m95 -121.46 152.39 39.17 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.818 1.247 . . . . 40.74 109.759 -175.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' O ' HG22 ' A' ' 89' ' ' VAL . 18.4 tp -86.0 125.45 33.41 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.088 -1.078 . . . . 39.98 108.088 168.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 88' ' ' LEU . 7.6 t -114.27 137.28 48.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 108.237 -1.023 . . . . 42.47 108.237 -174.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.38 124.7 39.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.585 -1.265 . . . . 55.74 107.585 173.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD12 HG22 ' C' ' 72' ' ' VAL . 2.1 mm? -115.0 53.54 0.81 Allowed 'General case' 0 C--O 1.234 0.244 0 C-N-CA 119.778 -0.769 . . . . 68.7 110.73 -179.518 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' HA3' ' HE3' ' A' ' 24' ' ' LYS . . . -86.48 -122.65 1.45 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-O 117.627 -1.651 . . . . 71.8 110.461 176.308 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.088 0 C-N-CA 128.302 2.641 . . . . 72.34 113.736 -0.462 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HE3' ' HA3' ' A' ' 15' ' ' GLY . 3.9 pttt . . . . . 0 C--O 1.235 0.297 0 CA-C-O 121.603 0.716 . . . . 72.59 110.815 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -97.48 155.87 16.74 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.878 -1.055 . . . . 71.79 109.201 -177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.1 mmt-85 -145.76 146.74 30.17 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 124.532 1.133 . . . . 68.57 108.634 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -75.6 152.92 38.56 Favored 'Trans proline' 0 C--N 1.323 -0.776 0 N-CA-C 109.282 -1.084 . . . . 35.99 109.282 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -154.79 156.45 36.29 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 114.891 -1.05 . . . . 33.16 108.895 -178.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 t -98.41 126.45 51.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-N 114.781 -1.099 . . . . 37.46 108.702 -179.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 4' ' ' PRO . 81.9 t -74.1 123.08 28.64 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 N-CA-C 108.598 -0.89 . . . . 36.66 108.598 173.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.2 m -120.61 -10.55 10.01 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 N-CA-C 113.131 0.789 . . . . 35.93 113.131 -177.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 p -79.74 152.17 29.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 119.484 1.038 . . . . 35.91 109.713 172.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.3 m -74.45 155.53 6.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 N-CA-C 109.121 -0.696 . . . . 35.29 109.121 -174.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -77.28 -15.25 59.53 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.649 -0.821 . . . . 41.89 112.432 -175.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -65.45 -12.92 57.06 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.115 0.783 . . . . 59.45 113.115 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 mt -80.78 -19.21 45.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 118.836 0.744 . . . . 41.13 112.891 177.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 3' ' ' GLU . 45.4 mt -77.8 137.46 38.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.081 0.467 . . . . 53.08 111.708 -171.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 p -122.61 5.25 9.53 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.947 -0.57 . . . . 58.4 111.815 175.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 12.8 83.76 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-O 119.289 -0.729 . . . . 78.69 114.567 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.478 HD12 ' H ' ' A' ' 42' ' ' ASP . 1.7 pp -101.7 159.45 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 118.183 0.991 . . . . 69.38 108.834 176.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.21 -32.37 38.56 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 114.088 1.144 . . . . 88.29 114.088 -170.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.478 ' H ' HD12 ' A' ' 40' ' ' ILE . 88.1 m-20 -81.46 -8.8 59.78 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 114.124 1.157 . . . . 75.64 114.124 -174.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -68.66 150.55 47.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 119.097 0.862 . . . . 56.3 111.581 -176.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.7 mt -92.63 131.23 37.91 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.178 -0.919 . . . . 44.75 110.516 -174.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -115.66 128.36 72.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.482 0 C-N-CA 125.839 1.656 . . . . 35.85 107.131 173.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 60.4 t -89.75 127.79 42.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.418 0 N-CA-C 108.533 -0.914 . . . . 34.48 108.533 -175.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.02 158.76 43.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-O 121.92 0.867 . . . . 32.8 109.527 -174.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.2 t -113.53 115.13 47.12 Favored Pre-proline 0 C--O 1.239 0.551 0 N-CA-C 107.574 -1.269 . . . . 34.86 107.574 175.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -64.55 143.29 81.21 Favored 'Trans proline' 0 C--N 1.332 -0.33 0 CA-C-N 119.182 0.743 . . . . 37.07 111.068 -177.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 47.8 t -109.67 129.86 63.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.601 -0.888 . . . . 35.96 108.601 179.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.1 t -121.14 138.01 54.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.298 -0.41 . . . . 49.99 109.908 -177.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 64.6 p -99.54 0.53 42.52 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.908 0.707 . . . . 45.79 112.908 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 93.0 p -117.42 -18.92 9.71 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 113.953 1.094 . . . . 62.77 113.953 -176.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 31.0 mtt180 -83.07 147.74 27.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 118.992 0.815 . . . . 75.42 110.824 177.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 p -71.52 155.1 40.96 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.167 -0.924 . . . . 57.33 109.781 -177.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.53 139.77 32.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.295 -0.866 . . . . 84.93 110.392 -176.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.2 p -141.88 165.13 29.9 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 107.62 -1.252 . . . . 39.61 107.62 179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -56.04 -33.87 90.84 Favored 'Trans proline' 0 N--CA 1.476 0.482 0 N-CA-C 113.997 0.73 . . . . 36.6 113.997 178.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 85.0 mt -85.18 5.51 29.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 118.886 0.767 . . . . 36.1 112.783 177.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 86.3 mtt180 -127.69 76.3 77.23 Favored Pre-proline 0 C--O 1.238 0.464 0 N-CA-C 108.197 -1.038 . . . . 46.14 108.197 177.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -62.17 144.06 95.24 Favored 'Trans proline' 0 C--O 1.241 0.637 0 C-N-CA 120.182 0.588 . . . . 35.53 110.827 -176.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -75.25 152.48 39.69 Favored 'Trans proline' 0 C--N 1.329 -0.5 0 CA-C-O 122.147 0.811 . . . . 40.85 112.188 -175.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.9 127.84 71.52 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 107.598 -1.26 . . . . 35.45 107.598 178.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.92 156.64 35.3 Favored Pre-proline 0 C--N 1.32 -0.689 0 C-N-CA 125.668 1.587 . . . . 41.93 110.748 -170.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -56.96 -28.42 77.99 Favored 'Trans proline' 0 C--O 1.238 0.485 0 N-CA-C 113.235 0.436 . . . . 40.0 113.235 175.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 60.7 p -62.75 -14.06 40.33 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.519 0.6 . . . . 41.25 112.56 174.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -104.4 1.68 30.38 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.013 0.746 . . . . 41.9 113.013 179.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 124.53 -11.3 8.0 Favored Glycine 0 C--O 1.24 0.483 0 N-CA-C 116.061 1.184 . . . . 36.0 116.061 169.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.6 m -82.56 161.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 119.826 1.813 . . . . 34.5 109.983 -179.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.09 -32.51 33.88 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.6 -0.727 . . . . 40.68 111.66 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -140.21 158.62 43.75 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 108.619 -0.882 . . . . 39.62 108.619 175.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -42.11 126.3 3.25 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.553 -0.749 . . . . 50.07 111.717 174.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.9 m -138.13 -178.77 5.42 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.293 0.568 . . . . 35.25 109.724 -173.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.8 m -132.29 146.72 32.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-O 121.617 0.723 . . . . 32.44 109.427 176.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.07 106.79 18.7 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.214 -1.032 . . . . 31.17 108.214 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.0 t -80.13 84.15 1.29 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.428 0 N-CA-C 108.415 -0.957 . . . . 29.56 108.415 -175.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.2 m -64.33 -26.83 68.65 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.281 -0.567 . . . . 33.78 111.591 -174.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.4 ttt180 -62.71 -26.84 68.88 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.779 -0.768 . . . . 45.17 111.383 174.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.74 12.36 59.61 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 115.691 1.036 . . . . 28.03 115.691 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -50.82 139.82 5.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 118.268 1.034 . . . . 36.52 110.431 179.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' B' ' 81' ' ' ARG . 10.3 ptp180 -159.38 145.83 16.53 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.037 -0.665 . . . . 46.25 110.472 -178.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.47 133.26 36.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.424 -0.807 . . . . 36.46 109.777 169.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 m -129.29 154.01 39.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 108.868 -0.79 . . . . 43.26 108.868 178.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.88 137.16 55.04 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 119.865 -0.734 . . . . 40.33 109.097 175.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -23.92 30.58 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.212 -0.595 . . . . 54.63 111.893 -176.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.18 -16.5 63.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.798 0.666 . . . . 43.03 112.798 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 77.5 mtt-85 -82.94 -4.66 58.48 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.096 -1.042 . . . . 51.08 112.406 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.515 HD12 ' HG3' ' A' ' 4' ' ' PRO . 16.1 mt -88.61 113.68 24.43 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 107.488 -1.301 . . . . 49.51 107.488 176.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 11' ' ' LEU . 12.2 m -95.58 -52.41 9.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.791 0.293 . . . . 48.14 111.791 -170.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -148.55 146.73 28.42 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.052 -1.059 . . . . 62.75 110.788 -178.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.488 ' NH1' ' O ' ' A' ' 305' ' ' HOH . 71.0 ttt-85 -73.95 127.66 33.47 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.015 -0.993 . . . . 47.28 110.532 176.223 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.9 mt -95.99 -32.03 12.78 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.517 0.932 . . . . 42.78 113.517 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 173.34 -164.43 36.2 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.114 -1.041 . . . . 36.88 111.371 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -134.67 142.76 46.93 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.902 -0.649 . . . . 40.32 109.389 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 6.5 mp -85.66 141.34 29.84 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.166 -0.47 . . . . 40.47 111.312 -177.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.598 ' NZ ' ' O ' ' A' ' 303' ' ' HOH . 10.6 mtmm -53.74 141.11 47.51 Favored Pre-proline 0 C--O 1.24 0.566 0 CA-C-N 115.645 -0.707 . . . . 48.39 109.31 169.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.02 -33.64 96.08 Favored 'Trans proline' 0 C--O 1.239 0.547 0 CA-C-N 118.781 0.6 . . . . 43.2 113.34 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.3 -36.66 84.42 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 120.105 -0.638 . . . . 36.17 111.287 177.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.2 m -62.89 -45.87 90.52 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.087 -0.645 . . . . 38.1 110.26 177.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 62.5 mmm -59.62 -39.25 83.67 Favored 'General case' 0 C--O 1.234 0.243 0 C-N-CA 120.75 -0.38 . . . . 41.07 111.149 177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -64.99 -35.92 82.73 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 119.424 -0.91 . . . . 52.35 111.494 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.71 -39.75 80.32 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.494 -0.882 . . . . 34.83 111.417 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 51.0 mt -61.53 -42.31 93.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-O 120.824 0.345 . . . . 39.07 110.614 175.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -62.69 -41.65 99.22 Favored 'General case' 0 C--O 1.238 0.448 0 O-C-N 121.829 -0.545 . . . . 43.02 111.2 179.167 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -69.04 -40.46 78.57 Favored 'General case' 0 C--O 1.241 0.642 0 C-N-CA 119.153 -1.019 . . . . 50.53 111.369 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.33 -46.38 88.76 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.551 -0.46 . . . . 34.12 111.042 175.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 72.7 mt -62.35 -39.34 92.8 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.119 -0.632 . . . . 34.42 110.884 178.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . 0.474 HG23 ' HB2' ' A' ' 113' ' ' LEU . 53.7 m -59.46 -43.55 93.19 Favored 'General case' 0 C--O 1.237 0.421 0 C-N-CA 120.16 -0.616 . . . . 38.64 110.645 179.101 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 87.5 mt -68.01 -43.37 78.99 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 119.405 -0.918 . . . . 42.48 111.567 177.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 82.5 mt -61.47 -40.92 88.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-O 120.89 0.376 . . . . 33.34 111.065 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 13.8 mt -93.44 10.94 30.23 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 113.535 0.939 . . . . 40.73 113.535 -175.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 59.97 35.69 87.88 Favored Glycine 0 C--O 1.238 0.394 0 C-N-CA 120.39 -0.91 . . . . 43.88 113.34 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.474 ' HB2' HG23 ' A' ' 108' ' ' THR . 33.3 mt -85.77 146.61 44.08 Favored Pre-proline 0 C--N 1.298 -1.634 0 C-N-CA 118.63 -1.228 . . . . 51.67 110.461 -179.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -79.01 128.44 8.34 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 CA-C-O 117.914 -0.952 . . . . 63.68 113.692 179.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.4 m . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 106.606 -1.628 . . . . 85.03 106.606 -11.497 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.976 0.417 . . . . 61.15 110.81 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . . . -94.14 129.3 40.76 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.991 -0.55 . . . . 53.48 109.934 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.455 ' HB1' ' CH2' ' B' ' 10' ' ' TRP . . . -55.78 150.06 13.53 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.494 0.664 . . . . 49.86 111.176 -178.958 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -113.34 84.88 7.99 Favored Pre-proline 0 C--O 1.241 0.607 0 N-CA-C 108.129 -1.063 . . . . 83.01 108.129 174.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -88.8 146.03 5.64 Favored 'Trans proline' 0 CA--C 1.516 -0.387 0 C-N-CA 120.564 0.843 . . . . 46.16 111.559 -178.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.26 147.86 47.79 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.06 -0.973 . . . . 70.75 109.113 178.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -60.88 140.38 57.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.469 -0.787 . . . . 36.13 109.148 -177.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.17 -10.76 69.71 Favored Glycine 0 N--CA 1.441 -0.972 0 CA-C-O 119.232 -0.76 . . . . 35.17 114.883 -172.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -74.26 152.81 39.63 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 118.645 1.223 . . . . 42.64 111.334 177.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -105.33 121.98 45.01 Favored 'General case' 0 C--O 1.242 0.658 0 N-CA-C 107.511 -1.292 . . . . 38.95 107.511 167.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' TRP . . . . . 0.455 ' CH2' ' HB1' ' B' ' 2' ' ' ALA . 20.9 m95 -121.76 151.27 40.74 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 123.653 0.781 . . . . 40.57 110.592 -174.245 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 20.0 tp -85.67 124.4 32.15 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.019 -1.104 . . . . 39.62 108.019 169.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' B' ' 25' ' ' HIS . 12.2 t -115.3 139.25 42.61 Favored 'Isoleucine or valine' 0 C--O 1.242 0.701 0 CA-C-O 121.248 0.547 . . . . 42.71 109.653 -174.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SER . . . . . 0.527 ' OG ' ' O ' ' B' ' 16' ' ' ALA . 6.0 t -93.26 130.1 39.09 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 124.271 1.029 . . . . 56.21 109.783 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.7 mt -114.46 141.33 47.83 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.653 0.781 . . . . 61.87 109.733 -176.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.41 -16.94 4.47 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 115.452 0.941 . . . . 76.27 115.452 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.527 ' O ' ' OG ' ' B' ' 13' ' ' SER . . . -157.74 168.26 27.73 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 107.272 -1.381 . . . . 80.96 107.272 175.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.917 -0.583 . . . . 71.07 111.661 -177.871 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.41 0 N-CA-C 115.561 0.985 . . . . 68.58 115.561 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.649 ' HD2' ' H ' ' B' ' 24' ' ' LYS . 4.7 mptt -87.56 120.36 28.78 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.058 0.456 . . . . 75.49 110.929 -173.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.438 ' HA ' ' O ' ' B' ' 12' ' ' VAL . 70.0 m-70 -123.77 147.32 47.63 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.244 0.545 . . . . 54.26 110.682 176.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -148.56 147.32 24.76 Favored Pre-proline 0 CA--C 1.516 -0.338 0 N-CA-C 107.213 -1.403 . . . . 48.79 107.213 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -79.9 152.32 21.93 Favored 'Trans proline' 0 C--N 1.326 -0.621 0 CA-C-O 121.775 0.656 . . . . 41.43 111.546 177.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -153.52 154.19 33.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 114.804 -1.089 . . . . 35.54 109.04 -179.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 22.0 t -98.91 125.92 52.25 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 108.364 -0.976 . . . . 34.34 108.364 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.08 123.78 28.65 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 N-CA-C 108.114 -1.069 . . . . 36.37 108.114 174.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.63 -10.83 8.97 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 N-CA-C 113.343 0.868 . . . . 36.73 113.343 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 3.9 p -79.84 152.87 29.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 119.354 0.979 . . . . 38.02 110.053 173.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -75.4 155.04 6.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.828 0.823 . . . . 39.45 109.943 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.32 -17.14 56.97 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.47 -0.786 . . . . 43.05 112.749 -175.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 58.4 mp0 -61.95 -12.59 19.07 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 118.596 0.635 . . . . 53.96 112.696 175.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 35.5 mt -82.71 -18.43 40.89 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.972 0.73 . . . . 39.27 112.972 177.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 51.9 mt -76.77 131.22 38.59 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 118.44 0.563 . . . . 46.68 110.865 -170.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' THR . . . . . 0.454 HG23 HG12 ' B' ' 40' ' ' ILE . 6.5 t -129.84 7.66 5.2 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 113.677 0.992 . . . . 64.49 113.677 176.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.95 20.76 57.19 Favored Glycine 0 N--CA 1.451 -0.329 0 N-CA-C 116.995 1.558 . . . . 59.36 116.995 176.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.454 HG12 HG23 ' B' ' 38' ' ' THR . 8.9 mm -94.69 156.25 3.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 118.99 1.395 . . . . 63.91 108.849 178.147 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.27 -39.73 28.33 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.737 -0.785 . . . . 74.95 111.005 -177.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -86.68 -2.39 58.49 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 113.504 0.927 . . . . 80.76 113.504 -178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -63.76 148.51 49.0 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 119.166 0.894 . . . . 48.38 110.185 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.496 ' HB3' ' HB1' ' B' ' 82' ' ' ALA . 96.1 mt -93.57 131.24 39.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.415 -0.811 . . . . 37.64 110.237 -171.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 71.2 t -115.42 125.93 72.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 106.056 -1.831 . . . . 34.43 106.056 173.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 89.1 t -89.94 126.75 42.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.279 -1.008 . . . . 32.55 108.279 -175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.8 159.66 42.94 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-O 122.183 0.992 . . . . 30.52 109.437 -174.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 79.4 t -114.52 115.92 44.06 Favored Pre-proline 0 C--N 1.324 -0.53 0 N-CA-C 107.58 -1.267 . . . . 33.07 107.58 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.421 ' HB3' ' CE2' ' C' ' 68' ' ' TRP . 23.7 Cg_exo -63.61 143.9 88.48 Favored 'Trans proline' 0 C--N 1.331 -0.358 0 CA-C-N 119.386 0.817 . . . . 35.84 111.093 -177.435 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 51.9 t -108.88 128.17 64.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 107.781 -1.192 . . . . 38.82 107.781 177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 41.0 t -121.98 138.88 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.461 0.704 . . . . 40.91 110.703 -175.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 59.1 p -98.29 2.12 47.82 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.729 -0.668 . . . . 46.09 112.334 173.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' SER . . . . . . . . . . . . . 89.9 p -117.6 -20.58 8.92 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 114.963 1.468 . . . . 51.48 114.963 -175.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 12.2 mtp180 -81.54 148.17 29.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 119.566 1.076 . . . . 61.68 110.392 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' SER . . . . . . . . . . . . . 69.4 m -71.81 155.29 40.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 122.2 1.0 . . . . 58.08 110.214 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.409 ' HG2' ' NH1' ' B' ' 56' ' ' ARG . 4.8 tpt180 -81.49 136.4 35.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.82 -1.082 . . . . 78.41 112.185 -176.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' THR . . . . . . . . . . . . . 29.9 p -143.9 165.85 22.31 Favored Pre-proline 0 C--N 1.346 0.452 0 C-N-CA 125.381 1.473 . . . . 44.36 109.412 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -57.02 -32.27 92.6 Favored 'Trans proline' 0 C--O 1.238 0.511 0 CA-C-N 119.407 0.824 . . . . 42.06 113.683 176.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 83.3 mt -83.85 4.99 26.84 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 112.949 0.722 . . . . 38.82 112.949 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -128.51 75.69 79.18 Favored Pre-proline 0 C--O 1.239 0.552 0 N-CA-C 107.816 -1.179 . . . . 45.37 107.816 178.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_endo -61.39 146.71 96.92 Favored 'Trans proline' 0 C--O 1.246 0.888 0 N-CA-C 110.804 -0.498 . . . . 42.59 110.804 -176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -74.23 151.18 43.31 Favored 'Trans proline' 0 C--N 1.33 -0.439 0 CA-C-O 121.687 0.62 . . . . 47.16 111.753 -174.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 65.3 t -126.3 127.71 70.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 N-CA-C 107.938 -1.134 . . . . 41.83 107.938 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.93 156.21 35.58 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 120.837 0.351 . . . . 44.63 111.198 -170.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.29 -28.74 81.17 Favored 'Trans proline' 0 C--O 1.237 0.467 0 N-CA-C 114.105 0.771 . . . . 47.63 114.105 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' SER . . . . . . . . . . . . . 40.5 p -62.85 -12.69 26.42 Favored 'General case' 0 C--O 1.238 0.452 0 CA-C-N 118.936 0.789 . . . . 45.88 112.612 172.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -102.82 2.68 35.78 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.307 0.484 . . . . 45.12 112.307 179.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 123.55 -12.04 8.39 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-O 118.95 -0.916 . . . . 45.31 115.304 168.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 17.3 m -82.92 160.26 3.63 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-N 119.436 1.618 . . . . 42.07 110.111 -178.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ALA . . . . . . . . . . . . . . . -83.29 -31.76 26.73 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.092 -0.958 . . . . 49.94 112.177 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -137.14 159.66 41.26 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.906 -0.776 . . . . 44.42 108.906 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -43.47 123.89 3.24 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.581 -0.736 . . . . 53.88 110.425 172.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 18.1 m -139.3 177.14 8.13 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.599 -0.889 . . . . 41.22 108.599 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 26.6 m -132.88 149.72 32.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.354 0 N-CA-C 108.812 -0.81 . . . . 36.9 108.812 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.01 107.94 19.53 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.465 -0.939 . . . . 36.35 108.465 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 16.9 t -80.37 83.48 1.3 Allowed 'Isoleucine or valine' 0 C--O 1.238 0.471 0 N-CA-C 109.345 -0.613 . . . . 37.12 109.345 -175.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' CYS . . . . . . . . . . . . . 71.1 m -64.5 -25.06 67.83 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 112.296 0.48 . . . . 34.25 112.296 -174.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -63.04 -27.43 69.4 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 120.087 -0.645 . . . . 43.9 111.589 175.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' GLY . . . . . . . . . . . . . . . -85.67 13.04 57.66 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-O 118.785 -1.008 . . . . 35.34 115.345 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 p -50.42 137.44 7.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 CA-C-N 118.515 1.158 . . . . 31.6 109.966 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ARG . . . . . 0.592 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 9.6 ptp180 -159.62 146.94 16.83 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 119.52 -0.872 . . . . 46.44 109.875 -177.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' B' ' 44' ' ' LEU . . . -78.68 134.0 37.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.305 -0.861 . . . . 41.67 109.199 169.217 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.52 154.13 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 108.492 -0.929 . . . . 39.84 108.492 177.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.86 140.98 55.21 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 119.726 -0.79 . . . . 39.91 110.298 177.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -61.95 -28.94 69.9 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.669 -0.696 . . . . 49.93 111.983 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.9 -13.62 60.02 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 112.793 0.664 . . . . 43.83 112.793 -177.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . . . . . . . . . 30.8 mtt-85 -84.14 -2.86 57.57 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 113.04 0.755 . . . . 47.33 113.04 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.74 116.93 23.51 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.205 -0.665 . . . . 41.69 109.205 -177.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.61 -60.51 2.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 116.571 -0.286 . . . . 41.21 111.642 -169.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -150.93 144.7 25.13 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.112 -0.699 . . . . 64.43 109.112 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt-85 -73.69 125.41 28.0 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.066 -0.716 . . . . 42.2 109.066 175.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.12 -30.02 15.47 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-N 116.267 -0.424 . . . . 41.19 111.833 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 174.15 -165.03 36.47 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 119.282 -1.437 . . . . 37.03 110.91 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -133.61 143.14 48.45 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.455 -0.872 . . . . 39.63 108.797 178.204 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' LEU . . . . . . . . . . . . . 6.6 mp -86.3 146.59 26.44 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.673 -0.694 . . . . 40.26 109.639 -179.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -65.47 156.76 81.15 Favored Pre-proline 0 C--O 1.235 0.329 0 CA-C-N 115.719 -0.673 . . . . 65.1 109.798 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -61.11 -34.41 89.6 Favored 'Trans proline' 0 C--O 1.238 0.496 0 N-CA-C 113.919 0.7 . . . . 51.24 113.919 178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.1 89.86 Favored 'General case' 0 C--O 1.241 0.618 0 C-N-CA 119.377 -0.929 . . . . 46.8 111.069 178.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' THR . . . . . . . . . . . . . 33.9 m -65.07 -45.74 84.06 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 119.547 -0.861 . . . . 46.65 110.205 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' MET . . . . . . . . . . . . . 54.2 mmm -59.52 -40.11 86.08 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.409 -0.516 . . . . 40.21 110.996 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -66.35 -35.48 80.46 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.118 -1.033 . . . . 69.38 111.529 179.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.08 -39.47 82.89 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.761 -0.776 . . . . 38.62 111.221 176.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ILE . . . . . . . . . . . . . 52.0 mt -61.72 -41.38 90.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 CA-C-O 120.82 0.343 . . . . 37.88 110.589 174.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -63.62 -41.54 98.26 Favored 'General case' 0 C--O 1.236 0.39 0 O-C-N 121.856 -0.527 . . . . 39.63 111.62 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -69.1 -40.44 78.38 Favored 'General case' 0 C--O 1.242 0.693 0 C-N-CA 119.427 -0.909 . . . . 50.08 110.711 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.11 -46.46 88.25 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.658 -0.417 . . . . 33.01 110.917 175.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' LEU . . . . . . . . . . . . . 68.5 mt -62.85 -39.74 95.32 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.168 -0.613 . . . . 34.39 111.044 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' THR . . . . . 0.6 HG23 ' HB2' ' B' ' 113' ' ' LEU . 55.5 m -60.19 -42.74 95.67 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 119.863 -0.735 . . . . 37.66 110.837 178.743 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.23 -43.13 82.74 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.017 -1.073 . . . . 40.4 111.654 178.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 83.8 mt -61.82 -41.78 91.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 C-N-CA 120.743 -0.383 . . . . 35.67 111.078 -175.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 18.0 mt -92.45 11.32 26.62 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.65 0.981 . . . . 35.99 113.65 -174.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . 60.76 36.94 92.76 Favored Glycine 0 C--O 1.238 0.357 0 C-N-CA 120.732 -0.747 . . . . 41.94 114.306 177.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' LEU . . . . . 0.6 ' HB2' HG23 ' B' ' 108' ' ' THR . 34.0 mt -85.43 147.23 46.4 Favored Pre-proline 0 C--N 1.28 -2.417 0 C-N-CA 118.629 -1.228 . . . . 48.94 110.752 -179.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--N 1.342 0.234 0 C-N-CA 123.172 2.582 . . . . 58.96 112.994 -179.954 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.97 0.414 . . . . 85.29 110.606 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 6.1 p -135.98 138.8 42.64 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.958 -0.756 . . . . 77.17 108.958 176.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' SER . . . . . . . . . . . . . 54.1 p -132.46 150.83 52.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 62.37 109.592 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' C' ' 6' ' ' THR . 3.6 t -131.75 -163.53 1.34 Allowed 'General case' 0 C--O 1.238 0.493 0 N-CA-C 107.999 -1.111 . . . . 57.88 107.999 178.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' THR . . . . . 0.448 ' OG1' ' HB ' ' D' ' 6' ' ' THR . 5.6 t -141.25 144.17 34.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.403 -0.811 . . . . 59.16 109.918 -173.239 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ILE . . . . . . . . . . . . . 29.6 mt -124.65 138.72 53.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 108.209 -1.034 . . . . 50.21 108.209 179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 38.9 ttm-85 -86.62 130.83 34.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.464 -0.335 . . . . 45.47 110.174 177.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' VAL . . . . . . . . . . . . . 3.1 m -130.73 162.21 39.22 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 N-CA-C 108.821 -0.807 . . . . 50.4 108.821 175.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 21.7 p -67.25 143.12 56.65 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 108.392 -0.966 . . . . 52.33 108.392 165.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 6.0 t -61.64 -31.87 71.99 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 120.045 -0.662 . . . . 54.24 111.527 -174.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -64.38 -44.48 91.23 Favored 'General case' 0 C--O 1.239 0.535 0 C-N-CA 119.948 -0.701 . . . . 61.52 111.254 175.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 36.4 m -64.19 -37.36 87.17 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 119.859 -0.736 . . . . 44.91 111.105 177.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ARG . . . . . 0.538 ' HD2' HG21 ' D' ' 5' ' ' THR . 13.1 ttt85 -61.63 -39.16 90.3 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 118.834 -1.146 . . . . 70.66 110.748 175.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.47 -41.9 96.23 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 118.951 -1.1 . . . . 45.36 110.829 178.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -67.07 -41.22 86.77 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.511 -0.876 . . . . 42.03 111.397 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.74 -36.97 85.62 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 120.707 -0.397 . . . . 40.47 111.536 175.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.83 -42.66 81.1 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 120.63 -0.428 . . . . 41.65 110.973 179.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . 0.562 ' O ' ' OE1' ' C' ' 23' ' ' GLU . . . -48.49 -61.14 2.17 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 120.369 -0.532 . . . . 46.22 110.758 166.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -55.04 -37.9 67.29 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 119.915 -0.714 . . . . 47.01 111.651 -175.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 -47.12 79.22 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.952 -0.699 . . . . 42.99 111.037 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 ptp85 -73.02 -24.87 60.79 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 119.223 -0.991 . . . . 52.84 112.318 -177.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' GLU . . . . . 0.562 ' OE1' ' O ' ' C' ' 19' ' ' ALA . 2.3 mp0 -60.9 -47.3 87.05 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 118.063 0.392 . . . . 91.93 110.978 172.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ARG . . . . . . . . . . . . . 67.2 mtt85 -81.49 -1.03 44.48 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.985 0.735 . . . . 51.41 112.985 -179.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.09 27.47 71.95 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 115.146 0.818 . . . . 52.72 115.146 -179.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 24.0 pt -127.38 165.23 26.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 118.154 0.977 . . . . 44.35 109.807 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' SER . . . . . . . . . . . . . 92.3 p -72.28 157.76 37.1 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.003 -0.999 . . . . 39.04 110.309 175.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' MET . . . . . . . . . . . . . 2.9 tpp -61.82 -39.87 93.3 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 115.157 -0.929 . . . . 59.75 111.247 176.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' SER . . . . . . . . . . . . . 34.1 t -56.26 -49.32 74.54 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 120.742 0.306 . . . . 44.51 111.215 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.53 97.17 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.817 -0.353 . . . . 40.06 111.317 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.09 -46.15 86.0 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.554 -0.458 . . . . 40.54 111.086 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.64 -28.0 64.48 Favored 'General case' 0 C--O 1.239 0.534 0 C-N-CA 119.134 -1.026 . . . . 41.3 111.678 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' THR . . . . . . . . . . . . . 84.1 m -63.49 -50.92 67.76 Favored 'General case' 0 C--O 1.24 0.602 0 C-N-CA 119.304 -0.958 . . . . 37.4 110.535 171.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -55.68 -48.28 75.33 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 120.63 0.252 . . . . 64.31 111.63 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.71 -31.47 69.5 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.055 -0.403 . . . . 38.19 111.822 -176.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.79 -44.03 97.68 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.212 -0.595 . . . . 35.79 110.962 172.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.83 -37.61 86.69 Favored 'General case' 0 C--O 1.244 0.797 0 C-N-CA 119.14 -1.024 . . . . 36.45 111.256 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' GLN . . . . . 0.426 ' HG2' HH21 ' C' ' 41' ' ' ARG . 24.4 mt-30 -62.69 -45.61 91.96 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 119.736 -0.786 . . . . 67.47 111.108 176.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.87 97.65 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.17 -0.612 . . . . 40.23 111.279 177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' GLU . . . . . 0.467 ' OE2' ' NE ' ' D' ' 16' ' ' ARG . 63.8 mt-10 -54.88 -50.18 69.34 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.045 -0.409 . . . . 45.41 111.101 175.345 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.426 HH21 ' HG2' ' C' ' 38' ' ' GLN . 92.2 mtm-85 -59.55 -41.74 90.78 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 119.675 -0.81 . . . . 49.28 111.184 -179.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -60.33 -46.76 88.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 119.921 -0.712 . . . . 62.58 111.147 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.22 -37.97 88.94 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.502 -0.479 . . . . 34.96 111.074 -178.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 63.2 mt -62.81 -51.77 67.84 Favored 'Isoleucine or valine' 0 C--O 1.242 0.708 0 CA-C-O 121.2 0.524 . . . . 38.31 110.561 179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -66.98 -36.91 83.23 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.858 -0.737 . . . . 42.41 111.776 -177.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ttp-105 -63.88 -38.12 89.93 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 119.614 -0.834 . . . . 65.0 111.16 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.74 87.32 Favored 'General case' 0 C--O 1.243 0.74 0 C-N-CA 120.273 -0.571 . . . . 43.93 110.803 175.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -67.41 -48.6 66.84 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 118.895 -1.122 . . . . 43.45 110.959 178.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 90.3 mtm-85 -55.87 -51.9 65.93 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-O 121.276 0.56 . . . . 47.17 110.947 -178.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -61.07 -46.12 91.95 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.136 -0.484 . . . . 72.29 111.538 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.92 -44.13 86.65 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.068 -0.653 . . . . 52.43 111.925 178.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' SER . . . . . . . . . . . . . 23.2 p -65.63 -45.71 82.0 Favored 'General case' 0 C--O 1.246 0.872 0 C-N-CA 119.925 -0.71 . . . . 68.64 111.649 -177.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' HIS . . . . . 0.42 ' O ' ' OG1' ' C' ' 56' ' ' THR . 1.8 t-80 -61.94 -39.03 90.69 Favored 'General case' 0 C--O 1.239 0.529 0 C-N-CA 119.375 -0.93 . . . . 91.4 110.851 179.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.81 -32.42 73.93 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 119.266 -0.974 . . . . 66.17 111.04 175.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -80.55 -11.65 59.63 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 113.013 0.746 . . . . 66.69 113.013 -176.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' C' ' 53' ' ' HIS . 9.9 p -62.17 -31.94 72.5 Favored 'General case' 0 C--O 1.241 0.607 0 C-N-CA 119.164 -1.014 . . . . 78.95 111.623 172.389 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 57' ' ' THR . . . . . . . . . . . . . . . -68.64 -38.07 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 119.973 -0.691 . . . . 86.54 111.255 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 58' ' ' THR . . . . . . . . . . . . . . . -69.9 116.98 10.91 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 122.21 -0.306 . . . . 84.93 111.014 178.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 59' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -23.66 39.33 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-N 116.121 -0.491 . . . . 91.25 111.83 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.33 -37.42 75.1 Favored 'General case' 0 C--O 1.247 0.965 0 C-N-CA 119.101 -1.04 . . . . 77.21 110.904 171.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 61' ' ' VAL . . . . . . . . . . . . . 93.5 t -64.45 -46.76 91.91 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 CA-C-O 121.085 0.469 . . . . 75.99 110.036 175.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 62' ' ' ARG . . . . . . . . . . . . . . . -61.04 -43.92 98.17 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 121.953 -0.467 . . . . 66.27 111.515 -178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -57.9 -45.2 86.8 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.851 0.358 . . . . 72.32 110.839 174.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.12 -50.88 71.96 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.547 -0.461 . . . . 68.19 111.306 -178.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 65' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -72.26 -29.48 63.94 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 120.001 -0.679 . . . . 77.8 111.668 -176.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 66' ' ' ARG . . . . . . . . . . . . . . . -63.52 -41.39 98.5 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 119.869 -0.732 . . . . 67.81 111.243 172.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . . . -65.56 -39.67 91.94 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 120.584 -0.447 . . . . 66.06 111.356 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 68' ' ' TRP . . . . . 0.421 ' CE2' ' HB3' ' B' ' 49' ' ' PRO . 49.6 m95 -70.7 -24.74 62.71 Favored 'General case' 0 C--O 1.241 0.641 0 C-N-CA 119.15 -1.02 . . . . 61.43 111.738 179.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 69' ' ' GLU . . . . . . . . . . . . . . . -68.07 -12.01 60.05 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.381 -0.528 . . . . 58.57 111.918 -179.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.21 -28.52 72.34 Favored Glycine 0 C--N 1.332 0.308 0 C-N-CA 119.489 -1.339 . . . . 54.04 112.492 176.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 71' ' ' THR . . . . . . . . . . . . . 28.5 p -74.71 -2.07 24.68 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 112.842 0.682 . . . . 49.08 112.842 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 72' ' ' VAL . . . . . 0.447 HG22 HD12 ' A' ' 14' ' ' LEU . 14.4 p -55.85 -32.48 32.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-N 118.234 0.47 . . . . 47.36 111.589 -167.619 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 73' ' ' GLY . . . . . 0.507 ' HA2' HD12 ' C' ' 76' ' ' LEU . . . -97.28 15.3 62.51 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 115.282 0.873 . . . . 52.13 115.282 -175.079 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -71.43 143.39 50.11 Favored 'General case' 0 C--O 1.241 0.638 0 CA-C-N 118.706 1.253 . . . . 52.42 111.832 -171.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.86 12.7 71.37 Favored Glycine 0 C--N 1.341 0.822 0 N-CA-C 115.814 1.085 . . . . 52.38 115.814 177.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 76' ' ' LEU . . . . . 0.507 HD12 ' HA2' ' C' ' 73' ' ' GLY . 13.6 mt . . . . . 0 C--O 1.239 0.544 0 CA-C-N 118.26 1.03 . . . . 73.43 112.012 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.778 0.323 . . . . 78.25 111.119 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' SER . . . . . . . . . . . . . 13.7 t -158.65 140.91 14.05 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.161 -0.681 . . . . 54.47 109.161 -173.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' THR . . . . . 0.538 HG21 ' HD2' ' C' ' 14' ' ' ARG . 10.1 t -141.22 -169.2 2.8 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 108.556 -0.905 . . . . 48.89 108.556 -175.536 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' THR . . . . . 0.482 ' O ' ' NH1' ' C' ' 14' ' ' ARG . 47.5 p -136.88 127.76 27.44 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 109.703 -0.481 . . . . 54.24 109.703 -179.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ILE . . . . . . . . . . . . . 2.5 pt -102.13 153.74 5.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 108.441 -0.948 . . . . 53.08 108.441 172.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -104.88 128.12 52.97 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.123 -0.489 . . . . 76.4 110.978 -176.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' VAL . . . . . . . . . . . . . 20.2 m -129.69 166.44 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 107.733 -1.21 . . . . 46.7 107.733 176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -65.35 151.47 46.2 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.398 -0.819 . . . . 47.15 109.394 168.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 29.3 p -64.23 -30.36 71.42 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 119.974 -0.69 . . . . 63.23 111.369 -179.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.639 ' OE1' ' N ' ' D' ' 12' ' ' GLN . 6.4 mp0 -62.73 -49.78 73.68 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-O 120.986 0.422 . . . . 70.39 110.531 174.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' THR . . . . . . . . . . . . . 85.4 m -59.97 -40.45 89.1 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.54 -0.464 . . . . 42.49 111.197 176.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -60.88 -44.43 97.1 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 119.856 -0.738 . . . . 46.04 110.772 177.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -63.81 -42.28 97.71 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.706 -0.798 . . . . 44.12 110.803 -178.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' ARG . . . . . 0.467 ' NE ' ' OE2' ' C' ' 40' ' ' GLU . 74.7 mtp180 -64.39 -43.67 93.72 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 119.98 -0.688 . . . . 47.8 110.91 179.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -59.45 -37.3 77.77 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 111.641 0.237 . . . . 40.3 111.641 174.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.74 -46.13 80.02 Favored 'General case' 0 C--O 1.237 0.402 0 O-C-N 121.978 -0.451 . . . . 37.97 110.847 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.84 74.83 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.474 -0.49 . . . . 38.47 111.321 176.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLN . . . . . . . . . . . . . 73.2 mm-40 -73.62 -36.9 65.53 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 118.936 -1.105 . . . . 46.49 111.32 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.34 -44.14 97.69 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.681 -0.408 . . . . 39.58 111.175 174.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -63.45 -42.07 98.65 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.757 -0.377 . . . . 50.96 111.155 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -62.3 -39.49 93.18 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.402 -0.519 . . . . 66.8 111.155 -179.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -85.06 -4.5 59.18 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 113.058 0.762 . . . . 62.84 113.058 178.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.66 31.79 79.54 Favored Glycine 0 N--CA 1.45 -0.406 0 N-CA-C 114.729 0.652 . . . . 44.82 114.729 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.89 170.73 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 117.996 0.898 . . . . 40.85 108.768 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' SER . . . . . . . . . . . . . 91.1 p -77.57 155.58 31.44 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.162 -0.927 . . . . 39.18 110.438 176.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' MET . . . . . . . . . . . . . 65.0 mtp -61.98 -29.89 70.56 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.384 -0.825 . . . . 57.98 111.702 -179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -61.77 -55.27 31.87 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.059 0.457 . . . . 46.14 110.912 173.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -58.34 -40.56 82.47 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.68 -0.408 . . . . 39.84 111.281 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' LEU . . . . . . . . . . . . . 21.2 tp -57.73 -47.69 81.71 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.3 -0.56 . . . . 37.52 110.918 177.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.84 -28.14 69.35 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 119.874 -0.73 . . . . 44.16 111.553 -179.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' THR . . . . . . . . . . . . . 92.0 m -65.13 -44.17 89.56 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 118.895 -1.122 . . . . 38.39 110.9 170.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -60.43 -48.31 82.3 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 120.399 -0.52 . . . . 47.88 111.287 178.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' LEU . . . . . . . . . . . . . 56.0 mt -66.25 -31.01 71.58 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.602 -0.439 . . . . 39.29 111.509 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' ALA . . . . . 0.673 ' O ' ' HG3' ' D' ' 40' ' ' GLU . . . -57.92 -54.52 45.95 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.535 -0.466 . . . . 38.58 110.287 171.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' ALA . . . . . . . . . . . . . . . -51.39 -46.52 62.85 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 120.599 -0.44 . . . . 41.69 111.562 176.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -59.17 -43.57 92.14 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.662 -0.244 . . . . 59.77 111.577 -179.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.0 91.93 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 120.641 -0.423 . . . . 43.07 110.924 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' GLU . . . . . 0.673 ' HG3' ' O ' ' D' ' 36' ' ' ALA . 16.7 mt-10 -62.0 -41.04 97.61 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 120.306 -0.558 . . . . 46.18 111.617 -175.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' ARG . . . . . . . . . . . . . 14.8 ttm-85 -57.94 -47.76 81.91 Favored 'General case' 0 C--O 1.247 0.952 0 C-N-CA 119.326 -0.95 . . . . 69.69 111.16 -178.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -67.19 -30.34 70.27 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 119.655 -0.818 . . . . 57.49 111.755 178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.66 -34.81 78.7 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.385 -0.926 . . . . 40.9 111.412 173.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -57.78 -55.11 23.5 Favored 'Isoleucine or valine' 0 C--O 1.247 0.968 0 CA-C-O 121.537 0.684 . . . . 41.22 109.988 174.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -64.53 -40.53 95.77 Favored 'General case' 0 C--O 1.24 0.561 0 C-N-CA 119.135 -1.026 . . . . 38.14 111.95 -177.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' ARG . . . . . 0.769 ' NH1' ' OE2' ' D' ' 50' ' ' GLU . 12.9 ttm-85 -63.61 -31.42 72.59 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 119.162 -1.015 . . . . 81.8 111.418 176.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.59 -44.64 96.64 Favored 'General case' 0 C--O 1.242 0.681 0 C-N-CA 120.349 -0.54 . . . . 42.21 110.594 174.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.58 -44.77 93.08 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 118.263 -1.375 . . . . 47.37 111.222 177.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -60.91 -43.38 98.62 Favored 'General case' 0 C--O 1.243 0.755 0 C-N-CA 119.483 -0.887 . . . . 55.4 110.796 -175.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' GLU . . . . . 0.769 ' OE2' ' NH1' ' D' ' 46' ' ' ARG . 13.9 mt-10 -64.72 -46.62 81.52 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.791 -0.364 . . . . 73.01 111.649 178.499 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.17 78.58 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.864 -0.734 . . . . 51.52 111.202 178.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -62.48 -40.29 96.18 Favored 'General case' 0 C--O 1.239 0.5 0 O-C-N 122.09 -0.381 . . . . 60.52 111.332 176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -67.5 -41.39 84.59 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 118.268 -1.373 . . . . 73.67 111.045 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -25.17 65.47 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 119.893 -0.723 . . . . 65.36 111.954 -178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' GLU . . . . . . . . . . . . . 89.0 mt-10 -99.42 16.53 22.85 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 112.602 0.593 . . . . 67.78 112.602 -173.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 117.921 0.328 . . . . 84.89 110.892 -176.749 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . 0.598 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . 0.488 ' O ' ' NH1' ' A' ' 91' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_