data_6pi4_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 6pi4 _Structure_validation_residue.Date_analyzed 2019-07-20 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' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 121.175 0.512 . . . . 92.48 112.312 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.1 mt -101.12 148.36 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 80.48 111.176 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -99.6 115.48 29.5 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 107.524 -1.287 . . . . 81.74 107.524 163.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 137.58 28.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 108.591 -0.892 . . . . 51.32 108.591 177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -128.36 122.85 32.47 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.458 -0.942 . . . . 70.22 108.458 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -107.67 117.48 53.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 107.675 -1.232 . . . . 54.06 107.675 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.2 131.0 72.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.927 -0.768 . . . . 51.43 108.927 -166.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.44 123.96 37.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.878 -1.156 . . . . 50.17 107.878 174.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.5 159.32 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 118.061 -1.456 . . . . 52.53 109.815 -171.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.54 144.2 51.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.848 -1.069 . . . . 77.53 108.736 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 ptt85 -150.47 139.69 21.23 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.739 -1.585 . . . . 102.07 111.578 -178.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.81 119.88 22.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.758 -1.11 . . . . 76.95 108.863 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -78.37 -47.44 17.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 122.69 0.396 . . . . 59.53 111.924 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -155.94 152.53 28.34 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.091 -1.077 . . . . 60.45 108.091 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -151.65 124.22 8.4 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.76 -0.83 . . . . 70.57 108.76 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.74 172.74 39.7 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.578 -0.82 . . . . 60.93 114.604 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.96 152.65 51.99 Favored 'Trans proline' 0 CA--C 1.514 -0.507 0 N-CA-C 110.204 -0.729 . . . . 65.78 110.204 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.53 144.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.312 -0.858 . . . . 57.96 110.057 175.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 p -89.53 -31.69 17.51 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.953 -0.567 . . . . 66.84 112.515 167.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -149.11 146.01 27.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.967 0.907 . . . . 64.28 108.716 -175.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.58 124.42 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 107.875 -1.157 . . . . 53.36 107.875 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -123.66 133.72 53.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.309 0.644 . . . . 65.16 110.111 -176.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -161.26 178.41 9.26 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.78 -0.822 . . . . 47.55 108.78 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -120.5 120.32 35.53 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 106.799 -1.556 . . . . 73.81 106.799 -172.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -109.72 168.39 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.909 0.862 . . . . 56.98 109.776 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -59.75 -29.29 68.06 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.331 -0.948 . . . . 58.83 111.325 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.5 1.81 52.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.073 0.397 . . . . 52.1 112.073 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.38 -171.86 17.34 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 122.026 0.792 . . . . 55.65 111.63 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -83.76 144.88 29.03 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.64 -0.78 . . . . 67.06 110.273 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -138.23 142.16 36.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.334 -0.617 . . . . 57.1 109.334 -175.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.9 119.72 3.73 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.72 -1.352 . . . . 61.9 109.72 171.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.99 114.85 44.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 124.42 1.088 . . . . 56.03 108.77 -171.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.9 mt -94.35 166.72 14.82 Favored Pre-proline 0 C--O 1.237 0.401 0 C-N-CA 124.201 1.001 . . . . 71.34 109.812 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.28 -39.6 52.73 Favored 'Trans proline' 0 C--O 1.237 0.464 0 N-CA-C 114.705 1.002 . . . . 92.64 114.705 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -98.48 108.31 20.98 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.158 -1.423 . . . . 87.03 107.158 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -149.99 141.8 23.72 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.371 -0.603 . . . . 87.53 109.371 -174.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -66.27 145.95 99.01 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 107.849 -1.167 . . . . 83.7 107.849 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.53 150.18 82.82 Favored 'Trans proline' 0 C--O 1.232 0.217 0 CA-C-N 118.995 0.677 . . . . 77.43 111.582 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 tp -153.56 146.44 24.42 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.266 -0.879 . . . . 85.76 109.901 -169.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 t -130.53 130.01 64.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.103 -1.443 . . . . 78.63 107.103 169.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.64 37.05 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.542 0.687 . . . . 53.57 109.378 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' NE2' ' O ' ' A' ' 305' ' ' HOH . 20.0 tt0 -109.0 127.16 53.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.268 -1.382 . . . . 64.68 107.268 170.027 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 mt -71.49 149.34 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.62 -0.832 . . . . 51.51 109.471 177.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -61.14 164.99 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 115.774 -0.648 . . . . 59.93 109.687 174.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.2 -36.73 80.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.622 -0.431 . . . . 73.21 111.449 -169.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -102.83 44.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.783 -0.573 . . . . 72.04 110.825 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.52 144.18 39.92 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.596 0.712 . . . . 53.09 111.617 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -122.51 143.14 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.701 -1.222 . . . . 72.05 107.701 166.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.73 123.5 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.671 -1.233 . . . . 61.48 107.671 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -106.31 122.38 46.12 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.463 -0.94 . . . . 86.12 108.463 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.5 111.96 38.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 107.719 -1.215 . . . . 60.65 107.719 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -95.7 139.3 32.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.987 -0.746 . . . . 69.11 108.987 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.66 149.9 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.618 0.723 . . . . 60.35 109.932 -174.395 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.24 127.92 33.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.609 -1.178 . . . . 100.31 110.415 -177.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.93 8.77 83.68 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 115.355 0.902 . . . . 72.11 115.355 169.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -143.53 155.62 44.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.422 1.111 . . . . 83.68 108.681 -174.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -62.3 157.74 18.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.481 0.658 . . . . 85.63 109.874 170.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.39 141.29 51.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.788 -0.642 . . . . 78.97 110.055 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.2 tp -99.0 123.03 43.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 59.36 108.326 172.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -117.41 131.27 56.79 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 122.683 0.393 . . . . 90.75 111.179 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.47 114.71 39.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.361 -0.607 . . . . 50.69 109.361 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 129.32 39.65 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.046 -0.724 . . . . 49.83 109.046 162.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.5 t -125.4 133.07 70.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.638 -0.504 . . . . 48.78 109.638 -172.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -115.79 129.86 56.61 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.539 0.736 . . . . 63.32 109.092 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.12 56.93 14.48 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.791 -0.924 . . . . 58.99 110.791 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.04 147.45 18.6 Favored Glycine 0 N--CA 1.444 -0.794 0 O-C-N 121.428 -1.042 . . . . 52.23 113.119 -175.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -131.56 147.38 52.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.053 -1.091 . . . . 55.84 108.053 171.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 tp -114.4 146.33 40.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.22 -0.9 . . . . 79.18 109.992 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.4 t -146.98 90.23 1.88 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.171 -1.418 . . . . 85.03 107.171 -175.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.01 103.45 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 107.302 -1.37 . . . . 89.07 107.302 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.2 t -92.66 -170.16 2.39 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.767 -0.827 . . . . 98.04 108.767 174.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . . . -68.05 -31.27 70.81 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.63 -0.669 . . . . 101.73 111.973 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . . . -129.57 17.18 5.88 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.976 0.732 . . . . 106.71 112.976 -172.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.9 m -159.38 143.94 15.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.805 0.729 . . . . 83.31 109.986 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.8 t -100.93 110.91 29.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.964 -1.495 . . . . 64.69 106.964 161.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 304' ' ' HOH . 9.4 ttt85 -109.01 123.26 48.85 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.197 -0.668 . . . . 78.66 109.197 -175.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 mt -110.87 110.73 33.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.762 -0.829 . . . . 47.0 108.762 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -93.48 123.43 36.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.262 -1.014 . . . . 61.29 108.262 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 m -124.92 141.74 44.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.169 -0.678 . . . . 43.22 109.169 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -68.84 -53.28 22.33 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.894 -0.594 . . . . 99.19 110.132 165.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -141.84 158.52 43.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.115 -0.698 . . . . 76.49 109.115 165.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.73 157.96 42.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.198 -1.038 . . . . 77.21 108.198 171.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -141.56 141.8 33.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.725 -1.19 . . . . 71.67 109.116 163.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -77.8 156.37 30.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.153 -1.385 . . . . 73.33 109.63 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -48.55 -33.67 10.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.187 -0.915 . . . . 80.98 111.381 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.38 -39.26 94.03 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.83 0.307 . . . . 95.04 111.83 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -85.84 -17.98 34.13 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.058 1.133 . . . . 98.5 114.058 -169.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.2 mt -66.22 147.92 12.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.804 0.811 . . . . 89.95 111.145 -165.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -93.59 100.1 12.42 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.614 -1.254 . . . . 122.59 107.614 170.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.77 78.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.338 -0.392 . . . . 120.41 111.628 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -67.64 -50.23 58.97 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.28 -0.568 . . . . 123.24 110.982 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -29.44 69.87 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.517 -0.473 . . . . 115.19 111.944 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.09 99.68 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.16 -0.616 . . . . 101.69 111.093 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . . . -70.55 -28.66 65.08 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.378 -0.529 . . . . 117.99 111.488 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . . . -68.93 -47.4 65.83 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.619 -0.433 . . . . 136.69 110.901 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -70.65 -22.85 62.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.08 0.4 . . . . 129.37 112.08 174.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.73 82.96 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.648 -0.421 . . . . 132.89 111.106 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 102' ' ' ASP . . . -60.33 110.56 1.27 Allowed 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.029 -0.73 . . . . 145.66 109.029 172.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -56.62 77.12 0.0 OUTLIER 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.665 0.617 . . . . 168.09 112.665 -169.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -64.15 -75.36 0.08 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.15 -1.056 . . . . 152.49 108.15 167.201 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -106.49 147.29 29.55 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.471 -0.937 . . . . 136.48 108.471 165.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -61.93 -34.67 76.51 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.371 -0.532 . . . . 106.05 111.351 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . . . -68.65 -28.89 67.29 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.819 -0.752 . . . . 83.61 111.475 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 13.6 m -73.17 -34.11 65.84 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 121.335 -0.146 . . . . 102.58 111.351 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.94 72.8 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.741 -0.384 . . . . 110.62 111.441 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.43 86.38 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.541 -0.463 . . . . 82.72 110.856 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -65.38 -30.5 71.33 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.258 -0.276 . . . . 73.39 111.321 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.52 -44.6 63.46 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 119.897 -1.144 . . . . 89.21 112.201 173.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -67.15 -49.71 63.79 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 122.304 -0.527 . . . . 94.26 110.955 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.23 -39.82 15.04 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.687 0.279 . . . . 72.25 111.3 174.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.98 -39.91 61.01 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.199 -0.6 . . . . 94.39 111.386 -178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.58 -36.94 84.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.918 -0.713 . . . . 98.08 111.023 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -64.43 -37.86 88.99 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.336 -0.546 . . . . 107.79 111.311 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.87 -23.13 62.25 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.199 -1.0 . . . . 78.36 112.144 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.17 -0.69 37.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.541 0.571 . . . . 97.2 112.541 172.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 66.45 15.1 63.25 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-O 119.464 -0.631 . . . . 103.42 114.277 -168.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -80.84 -35.14 33.22 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.058 0.929 . . . . 139.19 112.157 -174.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . . . -125.1 163.4 25.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.682 -0.859 . . . . 120.06 108.682 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.197 -0.91 . . . . 142.76 110.148 178.312 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' CAC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . 0.453 ' O ' ' NH2' ' A' ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . 0.424 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 121.175 0.512 . . . . 92.480000000000004 112.312 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.1 mt -101.12 148.36 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 80.480000000000004 111.176 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -99.6 115.48 29.5 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 107.524 -1.287 . . . . 81.739999999999995 107.524 163.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 137.58 28.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 108.591 -0.892 . . . . 51.32 108.591 177.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -128.36 122.85 32.47 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.458 -0.942 . . . . 70.219999999999999 108.458 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -107.67 117.48 53.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 107.675 -1.232 . . . . 54.060000000000002 107.675 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.2 131.0 72.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.927 -0.768 . . . . 51.43 108.927 -166.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.44 123.96 37.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.878 -1.156 . . . . 50.170000000000002 107.878 174.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.5 159.32 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 118.061 -1.456 . . . . 52.530000000000001 109.815 -171.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.54 144.2 51.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.848 -1.069 . . . . 77.530000000000001 108.736 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' HD3' ' O ' ' A' ' 308' ' ' HOH . 12.3 ptt85 -150.47 139.69 21.23 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.739 -1.585 . . . . 102.06999999999999 111.578 -178.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.81 119.88 22.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.758 -1.11 . . . . 76.950000000000003 108.863 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -78.37 -47.44 17.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 122.69 0.396 . . . . 59.530000000000001 111.924 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -155.94 152.53 28.34 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.091 -1.077 . . . . 60.450000000000003 108.091 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -151.65 124.22 8.4 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.76 -0.83 . . . . 70.569999999999993 108.76 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.74 172.74 39.7 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.578 -0.82 . . . . 60.93 114.604 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.96 152.65 51.99 Favored 'Trans proline' 0 CA--C 1.514 -0.507 0 N-CA-C 110.204 -0.729 . . . . 65.780000000000001 110.204 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.53 144.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.312 -0.858 . . . . 57.960000000000001 110.057 175.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 p -89.53 -31.69 17.51 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.953 -0.567 . . . . 66.840000000000003 112.515 167.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -149.11 146.01 27.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.967 0.907 . . . . 64.280000000000001 108.716 -175.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.58 124.42 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 107.875 -1.157 . . . . 53.359999999999999 107.875 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -123.66 133.72 53.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.309 0.644 . . . . 65.159999999999997 110.111 -176.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -161.26 178.41 9.26 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.78 -0.822 . . . . 47.549999999999997 108.78 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -120.5 120.32 35.53 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 106.799 -1.556 . . . . 73.810000000000002 106.799 -172.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -109.72 168.39 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.909 0.862 . . . . 56.979999999999997 109.776 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -59.75 -29.29 68.06 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.331 -0.948 . . . . 58.829999999999998 111.325 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.5 1.81 52.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.073 0.397 . . . . 52.100000000000001 112.073 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.38 -171.86 17.34 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 122.026 0.792 . . . . 55.649999999999999 111.63 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -83.76 144.88 29.03 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.64 -0.78 . . . . 67.060000000000002 110.273 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -138.23 142.16 36.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.334 -0.617 . . . . 57.100000000000001 109.334 -175.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.9 119.72 3.73 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.72 -1.352 . . . . 61.899999999999999 109.72 171.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.99 114.85 44.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 124.42 1.088 . . . . 56.030000000000001 108.77 -171.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.9 mt -94.35 166.72 14.82 Favored Pre-proline 0 C--O 1.237 0.401 0 C-N-CA 124.201 1.001 . . . . 71.340000000000003 109.812 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.28 -39.6 52.73 Favored 'Trans proline' 0 C--O 1.237 0.464 0 N-CA-C 114.705 1.002 . . . . 92.640000000000001 114.705 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -98.48 108.31 20.98 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.158 -1.423 . . . . 87.030000000000001 107.158 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -149.99 141.8 23.72 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.371 -0.603 . . . . 87.530000000000001 109.371 -174.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -66.27 145.95 99.01 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 107.849 -1.167 . . . . 83.700000000000003 107.849 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.53 150.18 82.82 Favored 'Trans proline' 0 C--O 1.232 0.217 0 CA-C-N 118.995 0.677 . . . . 77.430000000000007 111.582 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 tp -153.56 146.44 24.42 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.266 -0.879 . . . . 85.760000000000005 109.901 -169.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 t -130.53 130.01 64.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.103 -1.443 . . . . 78.629999999999995 107.103 169.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.64 37.05 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.542 0.687 . . . . 53.57 109.378 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -109.0 127.16 53.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.268 -1.382 . . . . 64.680000000000007 107.268 170.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 mt -71.49 149.34 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.62 -0.832 . . . . 51.509999999999998 109.471 177.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -61.14 164.99 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 115.774 -0.648 . . . . 59.93 109.687 174.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.2 -36.73 80.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.622 -0.431 . . . . 73.209999999999994 111.449 -169.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -102.83 44.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.783 -0.573 . . . . 72.040000000000006 110.825 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.52 144.18 39.92 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.596 0.712 . . . . 53.090000000000003 111.617 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -122.51 143.14 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.701 -1.222 . . . . 72.049999999999997 107.701 166.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.73 123.5 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.671 -1.233 . . . . 61.479999999999997 107.671 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -106.31 122.38 46.12 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.463 -0.94 . . . . 86.120000000000005 108.463 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.5 111.96 38.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 107.719 -1.215 . . . . 60.649999999999999 107.719 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -95.7 139.3 32.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.987 -0.746 . . . . 69.109999999999999 108.987 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.66 149.9 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.618 0.723 . . . . 60.350000000000001 109.932 -174.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.24 127.92 33.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.609 -1.178 . . . . 100.31 110.415 -177.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.93 8.77 83.68 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 115.355 0.902 . . . . 72.109999999999999 115.355 169.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -143.53 155.62 44.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.422 1.111 . . . . 83.680000000000007 108.681 -174.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -62.3 157.74 18.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.481 0.658 . . . . 85.629999999999995 109.874 170.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.39 141.29 51.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.788 -0.642 . . . . 78.969999999999999 110.055 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.2 tp -99.0 123.03 43.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 59.359999999999999 108.326 172.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -117.41 131.27 56.79 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 122.683 0.393 . . . . 90.75 111.179 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.47 114.71 39.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.361 -0.607 . . . . 50.689999999999998 109.361 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 129.32 39.65 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.046 -0.724 . . . . 49.829999999999998 109.046 162.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.5 t -125.4 133.07 70.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.638 -0.504 . . . . 48.780000000000001 109.638 -172.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -115.79 129.86 56.61 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.539 0.736 . . . . 63.32 109.092 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.12 56.93 14.48 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.791 -0.924 . . . . 58.990000000000002 110.791 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.04 147.45 18.6 Favored Glycine 0 N--CA 1.444 -0.794 0 O-C-N 121.428 -1.042 . . . . 52.229999999999997 113.119 -175.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -131.56 147.38 52.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.053 -1.091 . . . . 55.840000000000003 108.053 171.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 tp -114.4 146.33 40.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.22 -0.9 . . . . 79.180000000000007 109.992 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.4 t -146.98 90.23 1.88 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.171 -1.418 . . . . 85.030000000000001 107.171 -175.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.01 103.45 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 107.302 -1.37 . . . . 89.069999999999993 107.302 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 75' ' ' GLU . 6.2 t -92.66 -170.16 2.39 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.767 -0.827 . . . . 98.040000000000006 108.767 174.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . . . -68.05 -31.27 70.81 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.63 -0.669 . . . . 101.73 111.973 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 73' ' ' THR . . . -129.57 17.18 5.88 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.976 0.732 . . . . 106.70999999999999 112.976 -172.321 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.9 m -159.38 143.94 15.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.805 0.729 . . . . 83.310000000000002 109.986 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.8 t -100.93 110.91 29.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.964 -1.495 . . . . 64.689999999999998 106.964 161.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 304' ' ' HOH . 9.4 ttt85 -109.01 123.26 48.85 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.197 -0.668 . . . . 78.659999999999997 109.197 -175.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 mt -110.87 110.73 33.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.762 -0.829 . . . . 47.0 108.762 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -93.48 123.43 36.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.262 -1.014 . . . . 61.289999999999999 108.262 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 m -124.92 141.74 44.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.169 -0.678 . . . . 43.219999999999999 109.169 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -68.84 -53.28 22.33 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.894 -0.594 . . . . 99.189999999999998 110.132 165.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -141.84 158.52 43.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.115 -0.698 . . . . 76.489999999999995 109.115 165.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.73 157.96 42.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.198 -1.038 . . . . 77.209999999999994 108.198 171.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLN . . . . . 0.497 ' HG3' HG12 ' A' ' 90' ' ' ILE . 13.6 pt20 -141.56 141.8 33.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.725 -1.19 . . . . 71.670000000000002 109.116 163.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -77.8 156.37 30.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.153 -1.385 . . . . 73.329999999999998 109.63 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -48.55 -33.67 10.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.187 -0.915 . . . . 80.980000000000004 111.381 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.38 -39.26 94.03 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.83 0.307 . . . . 95.040000000000006 111.83 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -85.84 -17.98 34.13 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.058 1.133 . . . . 98.5 114.058 -169.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . 0.497 HG12 ' HG3' ' A' ' 85' ' ' GLN . 24.2 mt -66.22 147.92 12.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.804 0.811 . . . . 89.950000000000003 111.145 -165.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -93.59 100.1 12.42 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.614 -1.254 . . . . 122.59 107.614 170.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.77 78.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.338 -0.392 . . . . 120.41 111.628 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -67.64 -50.23 58.97 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.28 -0.568 . . . . 123.23999999999999 110.982 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -29.44 69.87 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.517 -0.473 . . . . 115.19 111.944 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.09 99.68 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.16 -0.616 . . . . 101.69 111.093 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . . . -70.55 -28.66 65.08 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.378 -0.529 . . . . 117.98999999999999 111.488 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . . . -68.93 -47.4 65.83 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.619 -0.433 . . . . 136.69 110.901 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' HB3' HG22 ' A' ' 106' ' ' THR . 2.1 m-20 -70.65 -22.85 62.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.08 0.4 . . . . 129.37 112.08 174.829 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.73 82.96 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.648 -0.421 . . . . 132.88999999999999 111.106 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 102' ' ' ASP . . . -60.33 110.56 1.27 Allowed 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.029 -0.73 . . . . 145.66 109.029 172.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -56.62 77.12 0.0 OUTLIER 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.665 0.617 . . . . 168.09 112.665 -169.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -64.15 -75.36 0.08 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.15 -1.056 . . . . 152.49000000000001 108.15 167.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -106.49 147.29 29.55 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.471 -0.937 . . . . 136.47999999999999 108.471 165.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -61.93 -34.67 76.51 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.371 -0.532 . . . . 106.05 111.351 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . . . -68.65 -28.89 67.29 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.819 -0.752 . . . . 83.609999999999999 111.475 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 98' ' ' ASP . 13.6 m -73.17 -34.11 65.84 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 121.335 -0.146 . . . . 102.58 111.351 176.266 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.94 72.8 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.741 -0.384 . . . . 110.62 111.441 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.43 86.38 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.541 -0.463 . . . . 82.719999999999999 110.856 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -65.38 -30.5 71.33 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.258 -0.276 . . . . 73.390000000000001 111.321 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.52 -44.6 63.46 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 119.897 -1.144 . . . . 89.209999999999994 112.201 173.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -67.15 -49.71 63.79 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 122.304 -0.527 . . . . 94.260000000000005 110.955 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.23 -39.82 15.04 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.687 0.279 . . . . 72.25 111.3 174.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.98 -39.91 61.01 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.199 -0.6 . . . . 94.390000000000001 111.386 -178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.58 -36.94 84.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.918 -0.713 . . . . 98.079999999999998 111.023 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -64.43 -37.86 88.99 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.336 -0.546 . . . . 107.79000000000001 111.311 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.87 -23.13 62.25 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.199 -1.0 . . . . 78.359999999999999 112.144 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.17 -0.69 37.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.541 0.571 . . . . 97.200000000000003 112.541 172.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 66.45 15.1 63.25 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-O 119.464 -0.631 . . . . 103.42 114.277 -168.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -80.84 -35.14 33.22 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.058 0.929 . . . . 139.19 112.157 -174.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . . . -125.1 163.4 25.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.682 -0.859 . . . . 120.06 108.682 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.197 -0.91 . . . . 142.75999999999999 110.148 178.312 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' CAC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . 0.453 ' O ' ' NH2' ' A' ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.488 ' O ' ' HD3' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 121.175 0.512 . . . . 92.48 112.312 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.1 mt -101.12 148.36 25.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.861 -0.609 . . . . 80.48 111.176 -176.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -99.6 115.48 29.5 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 107.524 -1.287 . . . . 81.74 107.524 163.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 137.58 28.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 N-CA-C 108.591 -0.892 . . . . 51.32 108.591 177.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -128.36 122.85 32.47 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 108.458 -0.942 . . . . 70.22 108.458 175.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.6 mt -107.67 117.48 53.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.541 0 N-CA-C 107.675 -1.232 . . . . 54.06 107.675 178.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 44.6 t -126.2 131.0 72.06 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 N-CA-C 108.927 -0.768 . . . . 51.43 108.927 -166.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -93.44 123.96 37.1 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.878 -1.156 . . . . 50.17 107.878 174.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 26.2 m -73.5 159.32 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 118.061 -1.456 . . . . 52.53 109.815 -171.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -60.54 144.2 51.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.848 -1.069 . . . . 77.53 108.736 174.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' HD3' ' O ' ' A' ' 308' ' ' HOH . 12.3 ptt85 -150.47 139.69 21.23 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 117.739 -1.585 . . . . 102.07 111.578 -178.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -78.81 119.88 22.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.758 -1.11 . . . . 76.95 108.863 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -78.37 -47.44 17.65 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 122.69 0.396 . . . . 59.53 111.924 178.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -155.94 152.53 28.34 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.091 -1.077 . . . . 60.45 108.091 -179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 t -151.65 124.22 8.4 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 108.76 -0.83 . . . . 70.57 108.76 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -163.74 172.74 39.7 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.578 -0.82 . . . . 60.93 114.604 -175.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -72.96 152.65 51.99 Favored 'Trans proline' 0 CA--C 1.514 -0.507 0 N-CA-C 110.204 -0.729 . . . . 65.78 110.204 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.53 144.09 29.36 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.312 -0.858 . . . . 57.96 110.057 175.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 p -89.53 -31.69 17.51 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.953 -0.567 . . . . 66.84 112.515 167.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -149.11 146.01 27.49 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.967 0.907 . . . . 64.28 108.716 -175.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 99.0 t -136.58 124.42 33.85 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 107.875 -1.157 . . . . 53.36 107.875 175.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -123.66 133.72 53.86 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.309 0.644 . . . . 65.16 110.111 -176.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.2 t -161.26 178.41 9.26 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 108.78 -0.822 . . . . 47.55 108.78 173.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -120.5 120.32 35.53 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 106.799 -1.556 . . . . 73.81 106.799 -172.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 4.1 p -109.72 168.39 9.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.909 0.862 . . . . 56.98 109.776 -176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.1 p -59.75 -29.29 68.06 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 119.331 -0.948 . . . . 58.83 111.325 -179.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -87.5 1.81 52.45 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 112.073 0.397 . . . . 52.1 112.073 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 125.38 -171.86 17.34 Favored Glycine 0 N--CA 1.444 -0.807 0 CA-C-O 122.026 0.792 . . . . 55.65 111.63 176.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -83.76 144.88 29.03 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-N 114.64 -0.78 . . . . 67.06 110.273 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 pt -138.23 142.16 36.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.334 -0.617 . . . . 57.1 109.334 -175.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.9 119.72 3.73 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 109.72 -1.352 . . . . 61.9 109.72 171.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 55.5 mt -103.99 114.85 44.7 Favored 'Isoleucine or valine' 0 C--O 1.236 0.372 0 C-N-CA 124.42 1.088 . . . . 56.03 108.77 -171.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 68.9 mt -94.35 166.72 14.82 Favored Pre-proline 0 C--O 1.237 0.401 0 C-N-CA 124.201 1.001 . . . . 71.34 109.812 176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_exo -50.28 -39.6 52.73 Favored 'Trans proline' 0 C--O 1.237 0.464 0 N-CA-C 114.705 1.002 . . . . 92.64 114.705 179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -98.48 108.31 20.98 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.158 -1.423 . . . . 87.03 107.158 175.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -149.99 141.8 23.72 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.371 -0.603 . . . . 87.53 109.371 -174.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . . . -66.27 145.95 99.01 Favored Pre-proline 0 C--O 1.241 0.632 0 N-CA-C 107.849 -1.167 . . . . 83.7 107.849 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -60.53 150.18 82.82 Favored 'Trans proline' 0 C--O 1.232 0.217 0 CA-C-N 118.995 0.677 . . . . 77.43 111.582 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 15.2 tp -153.56 146.44 24.42 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 115.266 -0.879 . . . . 85.76 109.901 -169.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.9 t -130.53 130.01 64.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 N-CA-C 107.103 -1.443 . . . . 78.63 107.103 169.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -145.65 162.64 37.05 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.542 0.687 . . . . 53.57 109.378 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -109.0 127.16 53.83 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.268 -1.382 . . . . 64.68 107.268 170.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.2 mt -71.49 149.34 45.91 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.62 -0.832 . . . . 51.51 109.471 177.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 30.2 m -61.14 164.99 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.241 0.632 0 CA-C-N 115.774 -0.648 . . . . 59.93 109.687 174.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.2 -36.73 80.01 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 120.622 -0.431 . . . . 73.21 111.449 -169.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -102.83 44.32 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.783 -0.573 . . . . 72.04 110.825 177.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.52 144.18 39.92 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.596 0.712 . . . . 53.09 111.617 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -122.51 143.14 49.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.701 -1.222 . . . . 72.05 107.701 166.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.6 t -114.73 123.5 70.48 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 N-CA-C 107.671 -1.233 . . . . 61.48 107.671 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 ttp-105 -106.31 122.38 46.12 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.463 -0.94 . . . . 86.12 108.463 179.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 68.4 t -111.5 111.96 38.43 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 107.719 -1.215 . . . . 60.65 107.719 -179.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -95.7 139.3 32.14 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.987 -0.746 . . . . 69.11 108.987 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.66 149.9 30.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.618 0.723 . . . . 60.35 109.932 -174.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -64.24 127.92 33.55 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.609 -1.178 . . . . 100.31 110.415 -177.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.93 8.77 83.68 Favored Glycine 0 C--N 1.332 0.341 0 N-CA-C 115.355 0.902 . . . . 72.11 115.355 169.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -143.53 155.62 44.38 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 118.422 1.111 . . . . 83.68 108.681 -174.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -62.3 157.74 18.96 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.481 0.658 . . . . 85.63 109.874 170.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -58.39 141.29 51.83 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.788 -0.642 . . . . 78.97 110.055 174.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 25.2 tp -99.0 123.03 43.02 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.326 -0.99 . . . . 59.36 108.326 172.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -117.41 131.27 56.79 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 122.683 0.393 . . . . 90.75 111.179 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -126.47 114.71 39.3 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 N-CA-C 109.361 -0.607 . . . . 50.69 109.361 -175.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 129.32 39.65 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 109.046 -0.724 . . . . 49.83 109.046 162.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.5 t -125.4 133.07 70.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 N-CA-C 109.638 -0.504 . . . . 48.78 109.638 -172.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -115.79 129.86 56.61 Favored 'General case' 0 C--O 1.234 0.285 0 C-N-CA 123.539 0.736 . . . . 63.32 109.092 178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.12 56.93 14.48 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.791 -0.924 . . . . 58.99 110.791 -176.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.04 147.45 18.6 Favored Glycine 0 N--CA 1.444 -0.794 0 O-C-N 121.428 -1.042 . . . . 52.23 113.119 -175.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -131.56 147.38 52.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.053 -1.091 . . . . 55.84 108.053 171.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.0 tp -114.4 146.33 40.72 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.22 -0.9 . . . . 79.18 109.992 177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.4 t -146.98 90.23 1.88 Allowed 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 107.171 -1.418 . . . . 85.03 107.171 -175.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.1 t -88.01 103.45 13.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 107.302 -1.37 . . . . 89.07 107.302 179.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 75' ' ' GLU . 6.2 t -92.66 -170.16 2.39 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 108.767 -0.827 . . . . 98.04 108.767 174.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . . . -68.05 -31.27 70.81 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 121.63 -0.669 . . . . 101.73 111.973 -177.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 73' ' ' THR . . . -129.57 17.18 5.88 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 112.976 0.732 . . . . 106.71 112.976 -172.321 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.9 m -159.38 143.94 15.33 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.805 0.729 . . . . 83.31 109.986 -179.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 75.8 t -100.93 110.91 29.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.293 0 N-CA-C 106.964 -1.495 . . . . 64.69 106.964 161.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' NH2' ' O ' ' A' ' 304' ' ' HOH . 9.4 ttt85 -109.01 123.26 48.85 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 109.197 -0.668 . . . . 78.66 109.197 -175.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 mt -110.87 110.73 33.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 108.762 -0.829 . . . . 47.0 108.762 179.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.8 mt -93.48 123.43 36.78 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.262 -1.014 . . . . 61.29 108.262 177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 13.3 m -124.92 141.74 44.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.169 -0.678 . . . . 43.22 109.169 -173.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -68.84 -53.28 22.33 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 115.894 -0.594 . . . . 99.19 110.132 165.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 57.2 m-80 -141.84 158.52 43.69 Favored 'General case' 0 C--O 1.233 0.195 0 N-CA-C 109.115 -0.698 . . . . 76.49 109.115 165.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -151.73 157.96 42.72 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.198 -1.038 . . . . 77.21 108.198 171.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.497 ' HG3' HG12 ' A' ' 90' ' ' ILE . 3.6 pt20 -141.56 141.8 33.52 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 118.725 -1.19 . . . . 71.67 109.116 163.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -77.8 156.37 30.53 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.153 -1.385 . . . . 73.33 109.63 -178.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -48.55 -33.67 10.04 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.187 -0.915 . . . . 80.98 111.381 -179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.6 m -63.38 -39.26 94.03 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 111.83 0.307 . . . . 95.04 111.83 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -85.84 -17.98 34.13 Favored 'General case' 0 C--O 1.236 0.356 0 N-CA-C 114.058 1.133 . . . . 98.5 114.058 -169.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.497 HG12 ' HG3' ' A' ' 85' ' ' GLN . 24.2 mt -66.22 147.92 12.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.804 0.811 . . . . 89.95 111.145 -165.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -93.59 100.1 12.42 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.614 -1.254 . . . . 122.59 107.614 170.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.15 -36.77 78.29 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.338 -0.392 . . . . 120.41 111.628 -176.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -67.64 -50.23 58.97 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 120.28 -0.568 . . . . 123.24 110.982 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -29.44 69.87 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.517 -0.473 . . . . 115.19 111.944 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.62 -43.09 99.68 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.16 -0.616 . . . . 101.69 111.093 178.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . . . -70.55 -28.66 65.08 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.378 -0.529 . . . . 117.99 111.488 175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . . . -68.93 -47.4 65.83 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.619 -0.433 . . . . 136.69 110.901 177.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.411 ' HB3' HG22 ' A' ' 106' ' ' THR . 2.1 m-20 -70.65 -22.85 62.45 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 112.08 0.4 . . . . 129.37 112.08 174.829 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.8 -37.73 82.96 Favored 'General case' 0 C--O 1.238 0.447 0 C-N-CA 120.648 -0.421 . . . . 132.89 111.106 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.516 ' O ' ' N ' ' A' ' 102' ' ' ASP . . . -60.33 110.56 1.27 Allowed 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.029 -0.73 . . . . 145.66 109.029 172.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 40.1 t -56.62 77.12 0.0 OUTLIER 'General case' 0 C--O 1.236 0.379 0 N-CA-C 112.665 0.617 . . . . 168.09 112.665 -169.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 100' ' ' ALA . . . -64.15 -75.36 0.08 Allowed 'General case' 0 C--O 1.236 0.346 0 N-CA-C 108.15 -1.056 . . . . 152.49 108.15 167.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . . . -106.49 147.29 29.55 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 108.471 -0.937 . . . . 136.48 108.471 165.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . . . -61.93 -34.67 76.51 Favored 'General case' 0 C--O 1.238 0.461 0 C-N-CA 120.371 -0.532 . . . . 106.05 111.351 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . . . -68.65 -28.89 67.29 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.819 -0.752 . . . . 83.61 111.475 175.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . 0.411 HG22 ' HB3' ' A' ' 98' ' ' ASP . 13.6 m -73.17 -34.11 65.84 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 121.335 -0.146 . . . . 102.58 111.351 176.266 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -70.79 -35.94 72.8 Favored 'General case' 0 C--O 1.237 0.395 0 C-N-CA 120.741 -0.384 . . . . 110.62 111.441 -178.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.43 86.38 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.541 -0.463 . . . . 82.72 110.856 177.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 37.8 t-105 -65.38 -30.5 71.33 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 122.258 -0.276 . . . . 73.39 111.321 177.361 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -69.52 -44.6 63.46 Favored Glycine 0 C--N 1.335 0.516 0 C-N-CA 119.897 -1.144 . . . . 89.21 112.201 173.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -67.15 -49.71 63.79 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 122.304 -0.527 . . . . 94.26 110.955 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -47.23 -39.82 15.04 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.687 0.279 . . . . 72.25 111.3 174.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.98 -39.91 61.01 Favored 'General case' 0 C--O 1.237 0.434 0 C-N-CA 120.199 -0.6 . . . . 94.39 111.386 -178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.58 -36.94 84.31 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.918 -0.713 . . . . 98.08 111.023 176.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 91.3 mtt180 -64.43 -37.86 88.99 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 120.336 -0.546 . . . . 107.79 111.311 176.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -70.87 -23.13 62.25 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 119.199 -1.0 . . . . 78.36 112.144 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.17 -0.69 37.16 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.541 0.571 . . . . 97.2 112.541 172.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 66.45 15.1 63.25 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-O 119.464 -0.631 . . . . 103.42 114.277 -168.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -80.84 -35.14 33.22 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.058 0.929 . . . . 139.19 112.157 -174.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . . . -125.1 163.4 25.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.682 -0.859 . . . . 120.06 108.682 178.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 44.2 t0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.197 -0.91 . . . . 142.76 110.148 178.312 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' CAC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . 0.453 ' O ' ' NH2' ' A' ' 78' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 . . . . . 0.488 ' O ' ' HD3' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_