data_6s4i_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 6s4i _Structure_validation_residue.Date_analyzed 2020-07-10 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 N--CA 1.486 2.032 0 CA-C-O 120.822 0.123 . . . . 60.71 113.117 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.07 -36.26 76.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.91 -0.716 . . . . 43.65 111.037 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.55 -41.59 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 118.649 -1.22 . . . . 51.1 109.379 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -62.52 -41.69 99.02 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.382 -0.372 . . . . 76.83 110.999 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -72.77 -45.21 59.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.313 -0.955 . . . . 53.92 112.803 -172.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.13 -25.09 11.71 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 113.74 1.015 . . . . 34.96 113.74 -172.791 -69.857 -69.408 104.421 101.702 2.037 103.859 -154.602 69.065 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -99.62 -53.9 3.07 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 118.144 0.429 . . . . 37.39 111.624 -179.038 175.79 59.648 95.59 105.14 2.017 105.874 -85.055 -61.498 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -71.12 -46.51 61.53 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.061 0.457 . . . . 59.35 110.094 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -102.47 -174.05 2.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.726 -1.213 . . . . 48.58 107.726 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -110.91 133.04 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 106.656 -1.609 . . . . 75.6 106.656 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -97.97 169.41 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.307 -0.957 . . . . 41.73 111.66 178.423 69.065 -154.602 104.421 103.859 2.037 101.702 -69.408 -69.857 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 p -113.85 -177.25 3.08 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 114.24 -1.346 . . . . 58.78 109.543 178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.94 -43.29 93.23 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.787 -0.642 . . . . 47.56 111.901 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -49.86 -47.96 51.44 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 119.853 -0.739 . . . . 57.03 112.148 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.11 -39.04 69.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 117.941 -1.504 . . . . 67.62 110.22 -176.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.46 -42.3 98.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.17 -0.612 . . . . 51.8 109.496 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.7 -17.67 64.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.141 -1.024 . . . . 37.23 113.589 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -57.23 -22.01 37.99 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.981 0.81 . . . . 48.75 112.283 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.33 -1.83 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.742 0.645 . . . . 51.06 112.742 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.87 155.75 35.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.766 0.712 . . . . 33.6 109.312 168.863 -57.596 -48.196 -79.465 105.949 2.029 102.843 -62.591 -59.352 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 117.182 -1.807 . . . . 59.1 110.905 177.237 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . 0.725 ' N ' ' ND2' ' B' ' 3' ' ' ASN . 2.6 t-20 . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 121.121 0.486 . . . . 103.25 109.88 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -128.33 159.48 35.18 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.579 1.152 . . . . 139.16 108.027 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -64.76 142.53 58.4 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.783 -1.167 . . . . 68.74 108.573 156.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.36 113.96 16.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 106.877 -1.527 . . . . 42.71 106.877 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -130.93 146.25 52.28 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.673 0.608 . . . . 36.41 110.367 -173.357 -61.498 -85.055 95.59 105.874 2.017 105.14 59.648 175.79 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.79 -134.8 49.45 Favored Glycine 0 CA--C 1.509 -0.339 0 CA-C-N 114.727 -1.124 . . . . 34.82 111.034 165.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.8 p -45.44 -50.5 12.47 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.627 -0.926 . . . . 30.61 112.238 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -60.43 -38.8 85.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.273 -0.971 . . . . 60.74 110.298 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.6 tp -64.4 -44.82 90.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 123.102 0.252 . . . . 32.26 111.438 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -75.46 -23.9 17.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.061 0.458 . . . . 27.2 110.247 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -68.99 -38.25 79.2 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.145 -0.347 . . . . 95.76 110.757 -176.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.35 94.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.782 -0.574 . . . . 27.48 110.666 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -60.58 -44.24 96.44 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.391 -0.523 . . . . 36.38 110.772 177.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -53.43 -48.22 68.97 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 121.798 -0.564 . . . . 29.63 112.088 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.59 -45.1 65.97 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 120.312 -0.555 . . . . 38.09 111.584 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.72 -39.85 78.53 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 120.361 -0.536 . . . . 49.52 110.47 -174.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.1 m -83.18 -23.64 32.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.943 -0.703 . . . . 28.78 112.814 -171.048 -59.352 -62.591 -79.465 102.843 2.029 105.949 -48.196 -57.596 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.64 -134.75 46.43 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.115 -0.564 . . . . 33.51 112.281 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -64.2 -16.14 61.36 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.698 0.629 . . . . 90.67 112.698 -173.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -70.06 -31.17 68.66 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.898 -0.721 . . . . 42.12 111.213 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.46 -169.62 36.68 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.231 -1.148 . . . . 34.35 110.231 -168.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.07 168.45 24.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 119.256 -0.978 . . . . 30.86 110.255 -168.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -118.4 131.08 56.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.62 -1.252 . . . . 84.43 107.62 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -117.62 108.49 15.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.684 -1.969 . . . . 43.54 105.684 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -130.25 92.71 35.09 Favored Pre-proline 0 C--O 1.241 0.615 0 N-CA-C 109.423 -0.584 . . . . 56.62 109.423 -173.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . 0.467 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.4 Cg_exo -61.17 165.55 12.4 Favored 'Trans proline' 0 C--N 1.33 -0.413 0 C-N-CA 120.428 0.752 . . . . 59.63 110.726 166.326 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' B' ' 28' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.467 0.41 0 CA-C-N 114.95 -1.023 . . . . 173.93 109.239 -172.81 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.032 0 CA-C-O 120.822 0.123 . . . . 50.59 113.117 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.07 -36.26 76.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.91 -0.716 . . . . 36.38 111.037 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.55 -41.59 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 118.649 -1.22 . . . . 42.59 109.379 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -62.52 -41.69 99.02 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.382 -0.372 . . . . 76.83 110.999 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -72.77 -45.21 59.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.313 -0.955 . . . . 44.94 112.803 -172.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.13 -25.09 11.71 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 113.74 1.015 . . . . 31.23 113.74 -172.791 -69.857 -69.408 104.421 101.702 2.037 103.859 -154.602 69.065 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -99.62 -53.9 3.07 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 118.144 0.429 . . . . 37.39 111.624 -179.038 175.79 59.648 95.59 105.14 2.017 105.874 -85.055 -61.498 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -71.12 -46.51 61.53 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.061 0.457 . . . . 49.47 110.094 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -102.47 -174.05 2.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.726 -1.213 . . . . 40.49 107.726 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -110.91 133.04 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 106.656 -1.609 . . . . 63.0 106.656 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -97.97 169.41 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.307 -0.957 . . . . 39.29 111.66 178.423 69.065 -154.602 104.421 103.859 2.037 101.702 -69.408 -69.857 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 p -113.85 -177.25 3.08 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 114.24 -1.346 . . . . 48.99 109.543 178.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.94 -43.29 93.23 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.787 -0.642 . . . . 39.64 111.901 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -49.86 -47.96 51.44 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 119.853 -0.739 . . . . 57.03 112.148 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.11 -39.04 69.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 117.941 -1.504 . . . . 63.66 110.22 -176.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.46 -42.3 98.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.17 -0.612 . . . . 43.17 109.496 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.7 -17.67 64.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.141 -1.024 . . . . 34.33 113.589 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -57.23 -22.01 37.99 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.981 0.81 . . . . 40.63 112.283 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.33 -1.83 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.742 0.645 . . . . 42.56 112.742 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.87 155.75 35.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.766 0.712 . . . . 33.6 109.312 168.863 -57.596 -48.196 -79.465 105.949 2.029 102.843 -62.591 -59.352 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 117.182 -1.807 . . . . 50.84 110.905 177.237 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . 0.725 ' N ' ' ND2' ' B' ' 3' ' ' ASN . 2.6 t-20 . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 121.121 0.486 . . . . 86.05 109.88 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -128.33 159.48 35.18 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.579 1.152 . . . . 134.36 108.027 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -64.76 142.53 58.4 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.783 -1.167 . . . . 57.29 108.573 156.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.36 113.96 16.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 106.877 -1.527 . . . . 35.6 106.877 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -130.93 146.25 52.28 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.673 0.608 . . . . 31.1 110.367 -173.357 -61.498 -85.055 95.59 105.874 2.017 105.14 59.648 175.79 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.79 -134.8 49.45 Favored Glycine 0 CA--C 1.509 -0.339 0 CA-C-N 114.727 -1.124 . . . . 29.02 111.034 165.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.8 p -45.44 -50.5 12.47 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.627 -0.926 . . . . 27.59 112.238 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -60.43 -38.8 85.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.273 -0.971 . . . . 51.21 110.298 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.6 tp -64.4 -44.82 90.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 123.102 0.252 . . . . 26.89 111.438 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -75.46 -23.9 17.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.061 0.458 . . . . 27.24 110.247 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -68.99 -38.25 79.2 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.145 -0.347 . . . . 95.76 110.757 -176.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.35 94.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.782 -0.574 . . . . 22.91 110.666 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -60.58 -44.24 96.44 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.391 -0.523 . . . . 30.32 110.772 177.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -53.43 -48.22 68.97 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 121.798 -0.564 . . . . 24.7 112.088 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.59 -45.1 65.97 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 120.312 -0.555 . . . . 31.75 111.584 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.72 -39.85 78.53 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 120.361 -0.536 . . . . 41.28 110.47 -174.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.1 m -83.18 -23.64 32.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.943 -0.703 . . . . 27.36 112.814 -171.048 -59.352 -62.591 -79.465 102.843 2.029 105.949 -48.196 -57.596 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.64 -134.75 46.43 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.115 -0.564 . . . . 28.31 112.281 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -64.2 -16.14 61.36 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.698 0.629 . . . . 90.67 112.698 -173.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -70.06 -31.17 68.66 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.898 -0.721 . . . . 36.78 111.213 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.46 -169.62 36.68 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.231 -1.148 . . . . 28.63 110.231 -168.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.07 168.45 24.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 119.256 -0.978 . . . . 26.74 110.255 -168.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -118.4 131.08 56.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.62 -1.252 . . . . 70.37 107.62 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -117.62 108.49 15.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.684 -1.969 . . . . 36.29 105.684 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -130.25 92.71 35.09 Favored Pre-proline 0 C--O 1.241 0.615 0 N-CA-C 109.423 -0.584 . . . . 47.19 109.423 -173.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.4 Cg_exo -61.17 165.55 12.4 Favored 'Trans proline' 0 C--N 1.33 -0.413 0 C-N-CA 120.428 0.752 . . . . 59.63 110.726 166.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' B' ' 28' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.467 0.41 0 CA-C-N 114.95 -1.023 . . . . 144.95 109.239 -172.81 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 201' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.032 0 CA-C-O 120.822 0.123 . . . . 50.59 113.117 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.1 tt -64.07 -36.26 76.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 C-N-CA 119.91 -0.716 . . . . 36.38 111.037 -178.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.55 -41.59 91.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 118.649 -1.22 . . . . 42.59 109.379 -178.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.2 mp0 -62.52 -41.69 99.02 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-N 116.382 -0.372 . . . . 76.83 110.999 177.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -72.77 -45.21 59.78 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 119.313 -0.955 . . . . 44.94 112.803 -172.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.2 m -107.13 -25.09 11.71 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 113.74 1.015 . . . . 31.23 113.74 -172.791 -69.857 -69.408 104.421 101.702 2.037 103.859 -154.602 69.065 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 41.5 t -99.62 -53.9 3.07 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 118.144 0.429 . . . . 37.39 111.624 -179.038 175.79 59.648 95.59 105.14 2.017 105.874 -85.055 -61.498 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 31.8 m -71.12 -46.51 61.53 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.061 0.457 . . . . 49.47 110.094 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -102.47 -174.05 2.48 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 107.726 -1.213 . . . . 40.49 107.726 171.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.9 mt -110.91 133.04 57.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 N-CA-C 106.656 -1.609 . . . . 63.0 106.656 176.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.2 p -97.97 169.41 9.66 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 119.307 -0.957 . . . . 39.29 111.66 178.423 69.065 -154.602 104.421 103.859 2.037 101.702 -69.408 -69.857 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.4 p -113.85 -177.25 3.08 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 114.24 -1.346 . . . . 48.99 109.543 178.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 40.9 tp -64.94 -43.29 93.23 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.787 -0.642 . . . . 39.64 111.901 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -49.86 -47.96 51.44 Favored 'General case' 0 C--O 1.238 0.5 0 C-N-CA 119.853 -0.739 . . . . 57.03 112.148 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -72.11 -39.04 69.15 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 117.941 -1.504 . . . . 63.66 110.22 -176.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.46 -42.3 98.56 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 120.17 -0.612 . . . . 43.17 109.496 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -67.7 -17.67 64.65 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 119.141 -1.024 . . . . 34.33 113.589 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -57.23 -22.01 37.99 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 118.981 0.81 . . . . 40.63 112.283 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -95.33 -1.83 50.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 112.742 0.645 . . . . 42.56 112.742 -176.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 65.2 m -65.87 155.75 35.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 118.766 0.712 . . . . 33.6 109.312 168.863 -57.596 -48.196 -79.465 105.949 2.029 102.843 -62.591 -59.352 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 . . . . . 0 C--N 1.324 -0.519 0 C-N-CA 117.182 -1.807 . . . . 50.84 110.905 177.237 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . 0.725 ' N ' ' ND2' ' B' ' 3' ' ' ASN . 2.6 t-20 . . . . . 0 CA--C 1.531 0.229 0 CA-C-O 121.121 0.486 . . . . 86.05 109.88 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -128.33 159.48 35.18 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 124.579 1.152 . . . . 134.36 108.027 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -64.76 142.53 58.4 Favored 'General case' 0 C--O 1.234 0.286 0 C-N-CA 118.783 -1.167 . . . . 57.29 108.573 156.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 34.0 mt -127.36 113.96 16.93 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 106.877 -1.527 . . . . 35.6 106.877 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -130.93 146.25 52.28 Favored 'General case' 0 N--CA 1.445 -0.69 0 O-C-N 123.673 0.608 . . . . 31.1 110.367 -173.357 -61.498 -85.055 95.59 105.874 2.017 105.14 59.648 175.79 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.79 -134.8 49.45 Favored Glycine 0 CA--C 1.509 -0.339 0 CA-C-N 114.727 -1.124 . . . . 29.02 111.034 165.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 73.8 p -45.44 -50.5 12.47 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.627 -0.926 . . . . 27.59 112.238 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -60.43 -38.8 85.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 119.273 -0.971 . . . . 51.21 110.298 179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 26.6 tp -64.4 -44.82 90.09 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 123.102 0.252 . . . . 26.89 111.438 176.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -75.46 -23.9 17.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.48 0 CA-C-O 121.061 0.458 . . . . 27.24 110.247 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -68.99 -38.25 79.2 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 122.145 -0.347 . . . . 95.76 110.757 -176.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -45.35 94.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 121.782 -0.574 . . . . 22.91 110.666 175.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 61.2 mt -60.58 -44.24 96.44 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 120.391 -0.523 . . . . 30.32 110.772 177.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -53.43 -48.22 68.97 Favored 'General case' 0 C--O 1.242 0.696 0 O-C-N 121.798 -0.564 . . . . 24.7 112.088 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.59 -45.1 65.97 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 120.312 -0.555 . . . . 31.75 111.584 -176.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 22.1 t -69.72 -39.85 78.53 Favored 'Isoleucine or valine' 0 C--O 1.242 0.688 0 C-N-CA 120.361 -0.536 . . . . 41.28 110.47 -174.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 84.1 m -83.18 -23.64 32.79 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.943 -0.703 . . . . 27.36 112.814 -171.048 -59.352 -62.591 -79.465 102.843 2.029 105.949 -48.196 -57.596 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 54.64 -134.75 46.43 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.115 -0.564 . . . . 28.31 112.281 175.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -64.2 -16.14 61.36 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 112.698 0.629 . . . . 90.67 112.698 -173.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -70.06 -31.17 68.66 Favored 'General case' 0 C--O 1.241 0.608 0 C-N-CA 119.898 -0.721 . . . . 36.78 111.213 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.46 -169.62 36.68 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.231 -1.148 . . . . 28.63 110.231 -168.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -161.07 168.45 24.38 Favored 'General case' 0 CA--C 1.51 -0.593 0 C-N-CA 119.256 -0.978 . . . . 26.74 110.255 -168.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -118.4 131.08 56.3 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.62 -1.252 . . . . 70.37 107.62 173.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -117.62 108.49 15.51 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.684 -1.969 . . . . 36.29 105.684 179.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 5.3 m -130.25 92.71 35.09 Favored Pre-proline 0 C--O 1.241 0.615 0 N-CA-C 109.423 -0.584 . . . . 47.19 109.423 -173.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' B' ' 29' ' ' LYS . 6.4 Cg_exo -61.17 165.55 12.4 Favored 'Trans proline' 0 C--N 1.33 -0.413 0 C-N-CA 120.428 0.752 . . . . 59.63 110.726 166.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' B' ' 28' ' ' PRO . 1.0 OUTLIER . . . . . 0 N--CA 1.467 0.41 0 CA-C-N 114.95 -1.023 . . . . 144.95 109.239 -172.81 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' NO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_