data_6qrk_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 6qrk _Structure_validation_residue.Date_analyzed 2019-03-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 113.669 0.228 . . . . 45.63 113.669 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.8 tt -68.4 -32.09 54.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 119.411 -0.915 . . . . 35.51 111.889 -172.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.28 -40.4 65.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.536 -0.727 . . . . 30.97 110.539 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.61 -41.64 97.75 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.463 -0.495 . . . . 52.03 111.171 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -84.42 -23.78 29.86 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.58 0.956 . . . . 41.39 113.58 -173.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.9 m -121.71 -19.11 6.92 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 114.83 1.418 . . . . 29.03 114.83 -173.732 -79.481 -105.694 63.874 104.391 2.009 105.063 57.812 -156.159 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -101.25 -56.8 2.22 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.817 0.735 . . . . 27.83 111.757 173.108 171.452 56.867 95.564 103.112 1.989 100.519 -86.61 -56.969 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.72 62.48 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.526 0.565 . . . . 32.28 112.526 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.2 p -138.42 176.4 8.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.705 -0.85 . . . . 34.31 108.705 170.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 129.35 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.47 0.653 . . . . 28.83 109.909 -167.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 t -70.06 167.84 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.945 0.879 . . . . 26.61 110.817 -179.393 -156.159 57.812 63.874 105.063 2.009 104.391 -105.694 -79.481 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.1 p -146.63 159.34 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.025 -0.732 . . . . 24.9 109.025 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.25 -34.19 77.12 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.591 -0.844 . . . . 24.55 111.18 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -59.09 -42.55 90.72 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 119.805 -0.758 . . . . 45.87 111.009 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.1 mm-40 -79.26 -22.72 44.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.068 -0.653 . . . . 36.73 110.938 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -75.78 -38.51 58.22 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.457 -0.897 . . . . 34.13 110.611 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.59 -0.844 . . . . 25.94 111.685 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -58.14 -20.78 43.22 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.55 -0.46 . . . . 39.23 112.036 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -106.03 4.3 29.16 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.379 0.881 . . . . 47.83 113.379 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.83 152.79 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.571 0.623 . . . . 28.27 109.792 168.64 -56.306 -43.193 -81.881 106.41 2.015 101.835 -59.928 -62.257 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 N--CA 1.465 0.302 0 C-N-CA 120.242 -0.583 . . . . 56.73 110.757 -179.752 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 p90 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 111.691 0.256 . . . . 39.27 111.691 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 3.5 m -92.19 -11.56 9.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 119.144 -1.022 . . . . 30.1 113.48 -170.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -95.26 60.57 2.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 122.589 1.185 . . . . 30.86 110.873 -174.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -150.38 176.81 10.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.481 -1.236 . . . . 43.86 108.131 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.78 123.04 21.02 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.636 -0.876 . . . . 32.54 108.636 169.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.06 110.27 15.12 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.034 -1.099 . . . . 23.85 108.034 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -122.27 148.18 45.32 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.818 -0.438 . . . . 27.17 109.818 -176.821 -56.969 -86.61 95.564 100.519 1.989 103.112 56.867 171.452 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.92 -132.15 40.06 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.366 -0.834 . . . . 27.11 112.004 169.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -67.81 -25.57 65.64 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.865 -0.734 . . . . 29.11 110.606 -175.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . 0.47 ' ND1' ' N ' ' B' ' 10' ' ' HIS . 0.8 OUTLIER -61.2 -38.41 86.45 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.429 -0.909 . . . . 26.62 110.922 175.098 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -73.77 -41.3 62.63 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.91 -0.716 . . . . 21.73 111.717 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.64 -32.76 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.428 -0.953 . . . . 24.16 108.428 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.51 -40.49 61.76 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.651 1.219 . . . . 38.95 111.519 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -48.07 82.92 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.31 -0.556 . . . . 19.34 110.659 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 mt -54.23 -48.92 70.55 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.505 -0.478 . . . . 26.52 111.03 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -51.48 -47.53 63.16 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 111.812 0.301 . . . . 23.32 111.812 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.48 -39.79 58.13 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.503 -0.479 . . . . 21.5 111.684 -174.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.97 -48.32 63.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.636 -0.426 . . . . 21.73 110.968 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.46 -25.64 50.73 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 112.579 0.585 . . . . 26.82 112.579 -172.068 -62.257 -59.928 -81.881 101.835 2.015 106.41 -43.193 -56.306 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.85 -131.36 50.53 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.082 -1.056 . . . . 31.59 112.316 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.95 -22.14 60.76 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 119.434 -0.907 . . . . 54.05 111.799 -174.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -54.48 -28.02 41.85 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.536 0.569 . . . . 44.8 112.536 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.27 -175.95 19.04 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 119.912 -1.137 . . . . 25.61 111.902 -168.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -160.41 168.1 25.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.738 -0.838 . . . . 25.88 108.738 -171.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -121.44 140.41 52.2 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 46.7 109.141 168.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -120.54 111.22 17.4 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.61 -1.256 . . . . 30.54 107.61 -175.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -127.74 96.74 31.74 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 109.58 -0.526 . . . . 49.26 109.58 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.96 -35.62 0.47 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 N-CA-C 115.356 1.252 . . . . 60.92 115.356 -173.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -68.19 -66.04 0.62 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.345 0.52 . . . . 80.97 111.166 176.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 121.523 0.677 . . . . 82.16 109.441 175.246 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.599 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 113.669 0.228 . . . . 45.630000000000003 113.669 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.8 tt -68.4 -32.09 54.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 119.411 -0.915 . . . . 35.509999999999998 111.889 -172.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.28 -40.4 65.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.536 -0.727 . . . . 30.969999999999999 110.539 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.61 -41.64 97.75 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.463 -0.495 . . . . 52.030000000000001 111.171 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . 0.578 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . 87.2 mm-40 -84.42 -23.78 29.86 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.58 0.956 . . . . 41.390000000000001 113.58 -173.304 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.9 m -121.71 -19.11 6.92 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 114.83 1.418 . . . . 29.030000000000001 114.83 -173.732 -79.481 -105.694 63.874 104.391 2.009 105.063 57.812 -156.159 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -101.25 -56.8 2.22 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.817 0.735 . . . . 27.829999999999998 111.757 173.108 171.452 56.867 95.564 103.112 1.989 100.519 -86.61 -56.969 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.72 62.48 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.526 0.565 . . . . 32.280000000000001 112.526 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.2 p -138.42 176.4 8.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.705 -0.85 . . . . 34.310000000000002 108.705 170.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 129.35 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.47 0.653 . . . . 28.829999999999998 109.909 -167.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' B' ' 2' ' ' VAL . 4.4 t -70.06 167.84 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.945 0.879 . . . . 26.609999999999999 110.817 -179.393 -156.159 57.812 63.874 105.063 2.009 104.391 -105.694 -79.481 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.1 p -146.63 159.34 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.025 -0.732 . . . . 24.899999999999999 109.025 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.25 -34.19 77.12 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.591 -0.844 . . . . 24.550000000000001 111.18 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -59.09 -42.55 90.72 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 119.805 -0.758 . . . . 45.869999999999997 111.009 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . 0.578 ' OE1' ' HB3' ' A' ' 5' ' ' GLN . 32.1 mm-40 -79.26 -22.72 44.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.068 -0.653 . . . . 36.729999999999997 110.938 -179.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -75.78 -38.51 58.22 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.457 -0.897 . . . . 34.130000000000003 110.611 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.59 -0.844 . . . . 25.940000000000001 111.685 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -58.14 -20.78 43.22 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.55 -0.46 . . . . 39.229999999999997 112.036 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -106.03 4.3 29.16 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.379 0.881 . . . . 47.829999999999998 113.379 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.83 152.79 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.571 0.623 . . . . 28.27 109.792 168.64 -56.306 -43.193 -81.881 106.41 2.015 101.835 -59.928 -62.257 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 N--CA 1.465 0.302 0 C-N-CA 120.242 -0.583 . . . . 56.729999999999997 110.757 -179.752 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 p90 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 111.691 0.256 . . . . 39.270000000000003 111.691 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.5 m -92.19 -11.56 9.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 119.144 -1.022 . . . . 30.100000000000001 113.48 -170.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -95.26 60.57 2.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 122.589 1.185 . . . . 30.859999999999999 110.873 -174.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -150.38 176.81 10.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.481 -1.236 . . . . 43.859999999999999 108.131 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.78 123.04 21.02 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.636 -0.876 . . . . 32.539999999999999 108.636 169.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.06 110.27 15.12 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.034 -1.099 . . . . 23.850000000000001 108.034 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -122.27 148.18 45.32 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.818 -0.438 . . . . 27.170000000000002 109.818 -176.821 -56.969 -86.61 95.564 100.519 1.989 103.112 56.867 171.452 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.92 -132.15 40.06 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.366 -0.834 . . . . 27.109999999999999 112.004 169.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -67.81 -25.57 65.64 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.865 -0.734 . . . . 29.109999999999999 110.606 -175.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . 0.47 ' N ' ' ND1' ' B' ' 10' ' ' HIS . 0.8 OUTLIER -61.2 -38.41 86.45 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.429 -0.909 . . . . 26.620000000000001 110.922 175.098 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -73.77 -41.3 62.63 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.91 -0.716 . . . . 21.73 111.717 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.64 -32.76 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.428 -0.953 . . . . 24.16 108.428 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.51 -40.49 61.76 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.651 1.219 . . . . 38.950000000000003 111.519 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -48.07 82.92 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.31 -0.556 . . . . 19.34 110.659 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 mt -54.23 -48.92 70.55 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.505 -0.478 . . . . 26.52 111.03 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -51.48 -47.53 63.16 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 111.812 0.301 . . . . 23.32 111.812 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.48 -39.79 58.13 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.503 -0.479 . . . . 21.5 111.684 -174.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.97 -48.32 63.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.636 -0.426 . . . . 21.73 110.968 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.46 -25.64 50.73 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 112.579 0.585 . . . . 26.82 112.579 -172.068 -62.257 -59.928 -81.881 101.835 2.015 106.41 -43.193 -56.306 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.85 -131.36 50.53 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.082 -1.056 . . . . 31.59 112.316 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.95 -22.14 60.76 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 119.434 -0.907 . . . . 54.049999999999997 111.799 -174.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -54.48 -28.02 41.85 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.536 0.569 . . . . 44.799999999999997 112.536 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.27 -175.95 19.04 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 119.912 -1.137 . . . . 25.609999999999999 111.902 -168.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -160.41 168.1 25.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.738 -0.838 . . . . 25.879999999999999 108.738 -171.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -121.44 140.41 52.2 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 46.700000000000003 109.141 168.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -120.54 111.22 17.4 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.61 -1.256 . . . . 30.539999999999999 107.61 -175.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -127.74 96.74 31.74 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 109.58 -0.526 . . . . 49.259999999999998 109.58 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.96 -35.62 0.47 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 N-CA-C 115.356 1.252 . . . . 60.920000000000002 115.356 -173.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' HA ' ' HE3' ' B' ' 29' ' ' LYS . 12.2 mmmt -68.19 -66.04 0.62 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.345 0.52 . . . . 80.969999999999999 111.166 176.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 121.523 0.677 . . . . 82.159999999999997 109.441 175.246 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.573 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 113.669 0.228 . . . . 45.63 113.669 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.8 tt -68.4 -32.09 54.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 C-N-CA 119.411 -0.915 . . . . 35.51 111.889 -172.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.28 -40.4 65.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.586 0 O-C-N 121.536 -0.727 . . . . 30.97 110.539 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -61.61 -41.64 97.75 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 120.463 -0.495 . . . . 52.03 111.171 172.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.578 ' HB3' ' OE1' ' A' ' 15' ' ' GLN . 87.2 mm-40 -84.42 -23.78 29.86 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 113.58 0.956 . . . . 41.39 113.58 -173.304 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 23.9 m -121.71 -19.11 6.92 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 114.83 1.418 . . . . 29.03 114.83 -173.732 -79.481 -105.694 63.874 104.391 2.009 105.063 57.812 -156.159 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -101.25 -56.8 2.22 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 118.817 0.735 . . . . 27.83 111.757 173.108 171.452 56.867 95.564 103.112 1.989 100.519 -86.61 -56.969 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -70.76 -21.72 62.48 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 112.526 0.565 . . . . 32.28 112.526 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.2 p -138.42 176.4 8.73 Favored 'General case' 0 C--O 1.238 0.451 0 N-CA-C 108.705 -0.85 . . . . 34.31 108.705 170.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 53.3 t -75.87 129.35 37.13 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 CA-C-O 121.47 0.653 . . . . 28.83 109.909 -167.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' HB3' ' O ' ' B' ' 2' ' ' VAL . 4.4 t -70.06 167.84 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.945 0.879 . . . . 26.61 110.817 -179.393 -156.159 57.812 63.874 105.063 2.009 104.391 -105.694 -79.481 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 62.1 p -146.63 159.34 43.58 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.025 -0.732 . . . . 24.9 109.025 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.25 -34.19 77.12 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.591 -0.844 . . . . 24.55 111.18 177.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -59.09 -42.55 90.72 Favored 'General case' 0 N--CA 1.461 0.104 0 C-N-CA 119.805 -0.758 . . . . 45.87 111.009 175.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.578 ' OE1' ' HB3' ' A' ' 5' ' ' GLN . 32.1 mm-40 -79.26 -22.72 44.34 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 120.068 -0.653 . . . . 36.73 110.938 -179.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -75.78 -38.51 58.22 Favored 'General case' 0 CA--C 1.516 -0.336 0 C-N-CA 119.457 -0.897 . . . . 34.13 110.611 -174.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.0 -22.45 60.67 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 119.59 -0.844 . . . . 25.94 111.685 -175.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -58.14 -20.78 43.22 Favored 'General case' 0 N--CA 1.451 -0.408 0 C-N-CA 120.55 -0.46 . . . . 39.23 112.036 172.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -106.03 4.3 29.16 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.379 0.881 . . . . 47.83 113.379 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.4 m -73.83 152.79 40.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 118.571 0.623 . . . . 28.27 109.792 168.64 -56.306 -43.193 -81.881 106.41 2.015 101.835 -59.928 -62.257 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 . . . . . 0 N--CA 1.465 0.302 0 C-N-CA 120.242 -0.583 . . . . 56.73 110.757 -179.752 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 15.7 p90 . . . . . 0 C--O 1.233 0.232 0 N-CA-C 111.691 0.256 . . . . 39.27 111.691 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.415 ' O ' ' HB3' ' A' ' 11' ' ' CYS . 3.5 m -92.19 -11.56 9.36 Favored 'Isoleucine or valine' 0 C--O 1.243 0.755 0 C-N-CA 119.144 -1.022 . . . . 30.1 113.48 -170.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 -95.26 60.57 2.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 122.589 1.185 . . . . 30.86 110.873 -174.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -150.38 176.81 10.57 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 114.481 -1.236 . . . . 43.86 108.131 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -70.78 123.04 21.02 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.636 -0.876 . . . . 32.54 108.636 169.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.06 110.27 15.12 Favored 'General case' 0 C--O 1.232 0.18 0 N-CA-C 108.034 -1.099 . . . . 23.85 108.034 -178.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 63.1 m -122.27 148.18 45.32 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.818 -0.438 . . . . 27.17 109.818 -176.821 -56.969 -86.61 95.564 100.519 1.989 103.112 56.867 171.452 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 63.92 -132.15 40.06 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.366 -0.834 . . . . 27.11 112.004 169.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -67.81 -25.57 65.64 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 119.865 -0.734 . . . . 29.11 110.606 -175.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.47 ' ND1' ' N ' ' B' ' 10' ' ' HIS . 0.8 OUTLIER -61.2 -38.41 86.45 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.429 -0.909 . . . . 26.62 110.922 175.098 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 44.1 tp -73.77 -41.3 62.63 Favored 'General case' 0 C--O 1.238 0.449 0 C-N-CA 119.91 -0.716 . . . . 21.73 111.717 -178.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.64 -32.76 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 N-CA-C 108.428 -0.953 . . . . 24.16 108.428 179.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.51 -40.49 61.76 Favored 'General case' 0 C--O 1.243 0.752 0 O-C-N 124.651 1.219 . . . . 38.95 111.519 179.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.39 -48.07 82.92 Favored 'General case' 0 C--O 1.239 0.547 0 C-N-CA 120.31 -0.556 . . . . 19.34 110.659 175.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.7 mt -54.23 -48.92 70.55 Favored 'General case' 0 C--O 1.239 0.522 0 C-N-CA 120.505 -0.478 . . . . 26.52 111.03 174.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -51.48 -47.53 63.16 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 111.812 0.301 . . . . 23.32 111.812 176.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -75.48 -39.79 58.13 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.503 -0.479 . . . . 21.5 111.684 -174.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.8 t -69.97 -48.32 63.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 C-N-CA 120.636 -0.426 . . . . 21.73 110.968 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 71.5 m -77.46 -25.64 50.73 Favored 'General case' 0 C--O 1.239 0.547 0 N-CA-C 112.579 0.585 . . . . 26.82 112.579 -172.068 -62.257 -59.928 -81.881 101.835 2.015 106.41 -43.193 -56.306 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.85 -131.36 50.53 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.082 -1.056 . . . . 31.59 112.316 173.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.95 -22.14 60.76 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 119.434 -0.907 . . . . 54.05 111.799 -174.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.4 mtm180 -54.48 -28.02 41.85 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 112.536 0.569 . . . . 44.8 112.536 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.27 -175.95 19.04 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 119.912 -1.137 . . . . 25.61 111.902 -168.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -160.41 168.1 25.89 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.738 -0.838 . . . . 25.88 108.738 -171.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -121.44 140.41 52.2 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.141 -0.689 . . . . 46.7 109.141 168.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -120.54 111.22 17.4 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.61 -1.256 . . . . 30.54 107.61 -175.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 46.2 m -127.74 96.74 31.74 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 109.58 -0.526 . . . . 49.26 109.58 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -80.96 -35.62 0.47 Allowed 'Trans proline' 0 C--O 1.235 0.358 0 N-CA-C 115.356 1.252 . . . . 60.92 115.356 -173.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' B' ' 29' ' ' LYS . 12.2 mmmt -68.19 -66.04 0.62 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 118.345 0.52 . . . . 80.97 111.166 176.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 121.523 0.677 . . . . 82.16 109.441 175.246 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.573 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_