data_4u5t_residue 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 4u5t _Structure_validation_residue.Date_analyzed 2016-10-12 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 ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 p30 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 115.374 1.62 . . . . 72.239999999999995 115.374 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -86.11 56.52 3.86 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 N-CA-C 113.647 0.595 . . . . 86.989999999999995 113.647 -165.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t0 27.91 96.88 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.542 1.682 . . . . 77.310000000000002 115.542 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.1 mt -57.2 -41.38 79.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.057 -0.657 . . . . 64.230000000000004 110.496 -176.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -45.21 -49.87 11.96 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.014 -1.106 . . . . 52.789999999999999 108.014 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.5 mt -67.39 -58.33 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.17 -0.923 . . . . 57.149999999999999 112.642 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.52 -51.91 2.86 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 124.605 1.19 . . . . 108.40000000000001 112.394 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.47 62.78 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 114.577 -1.192 . . . . 26.98 109.672 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.57 -44.67 36.88 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.477 1.111 . . . . 36.100000000000001 112.29 173.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.83 -47.64 79.98 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.317 -0.856 . . . . 57.229999999999997 108.772 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.5 mt -56.95 -42.42 80.06 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.193 -0.912 . . . . 51.32 111.152 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -55.04 38.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.897 -0.779 . . . . 81.25 108.897 178.998 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -57.09 -41.7 79.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 123.631 0.582 . . . . 49.109999999999999 109.878 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 13.2 tt0 -62.6 -57.04 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.135 -0.626 . . . . 87.400000000000006 110.557 -179.949 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -44.63 -49.66 10.17 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 116.019 1.859 . . . . 51.390000000000001 116.019 173.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 p -61.33 -41.49 97.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.307 -0.998 . . . . 47.869999999999997 108.307 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.86 89.03 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 122.171 0.986 . . . . 64.760000000000005 110.172 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.19 -50.65 60.16 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 113.561 -1.654 . . . . 39.640000000000001 110.838 -179.576 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -56.27 -37.02 69.26 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 105.774 -1.936 . . . . 63.829999999999998 105.774 -177.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -62.15 -54.33 42.67 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.882 -1.053 . . . . 43.460000000000001 113.505 174.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . 0.682 ' OE2' ' NH2' ' B' ' 27' ' ' ARG . 61.6 tt0 -53.16 -45.72 68.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.933 -0.576 . . . . 73.140000000000001 109.684 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.39 -42.4 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 O-C-N 123.98 0.8 . . . . 46.399999999999999 112.693 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.99 -57.13 10.38 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.437 -0.579 . . . . 85.739999999999995 109.437 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.84 -36.65 84.6 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.062 0.851 . . . . 88.810000000000002 110.554 -172.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.12 -40.83 78.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.419 -0.81 . . . . 53.369999999999997 111.712 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.98 -39.64 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.248 -0.981 . . . . 56.93 110.446 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -61.22 -48.47 81.35 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.181 -1.415 . . . . 47.200000000000003 107.181 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.24 -46.99 69.38 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 124.981 1.425 . . . . 60.780000000000001 111.672 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.51 -39.07 81.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.611 -0.722 . . . . 43.979999999999997 111.149 -179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.57 -52.06 35.15 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.391 -0.909 . . . . 33.759999999999998 111.14 172.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -39.35 75.78 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 118.791 -1.164 . . . . 76.849999999999994 110.157 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.16 -40.2 86.61 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.105 0.955 . . . . 48.520000000000003 111.696 -179.211 -148.528 -144.337 -133.082 95.709 2.034 65.925 -117.723 -76.22 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -68.05 -32.48 72.86 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 104.818 -2.29 . . . . 59.82 104.818 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -46.13 63.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.957 -0.697 . . . . 66.469999999999999 110.195 -179.615 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -54.29 -38.68 40.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 122.248 1.023 . . . . 56.93 110.514 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.87 -38.98 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.444 -1.253 . . . . 49.170000000000002 113.112 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.242 0.703 0 N-CA-C 115.447 1.647 . . . . 88.760000000000005 115.447 171.82 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 2' ' ' ASP . 17.4 p-10 . . . . . 0 C--O 1.213 -0.829 0 N-CA-C 114.609 1.337 . . . . 94.590000000000003 114.609 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -88.32 55.2 2.36 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 118.177 -0.749 . . . . 98.109999999999999 113.158 -163.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 29.12 96.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.602 1.561 . . . . 90.0 114.918 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.62 -40.64 83.89 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.662 -0.699 . . . . 65.200000000000003 109.587 -176.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.3 -52.17 7.79 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.087 -0.709 . . . . 59.359999999999999 109.087 179.906 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mm -62.33 -62.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.705 1.602 . . . . 54.369999999999997 112.748 173.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.99 -43.22 19.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.998 0.811 . . . . 101.25 113.06 -176.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.9 60.34 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 109.355 -0.609 . . . . 35.159999999999997 109.355 -179.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.77 -46.02 50.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 124.559 1.162 . . . . 36.719999999999999 112.422 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.01 -46.54 88.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.248 -1.019 . . . . 65.859999999999999 108.248 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.22 -37.99 87.47 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.393 -0.822 . . . . 55.289999999999999 110.313 -177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.44 -51.46 69.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.504 -0.554 . . . . 69.879999999999995 109.504 178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -55.48 -43.7 75.82 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.113 -0.699 . . . . 62.289999999999999 109.113 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.47 -59.71 4.58 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.433 -0.507 . . . . 86.549999999999997 109.81 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -40.25 -49.87 2.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.92 1.288 . . . . 63.979999999999997 112.647 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -65.77 -42.53 90.71 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.016 0.912 . . . . 42.560000000000002 108.78 -176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.97 78.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.608 -1.178 . . . . 53.57 110.752 -179.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mt -68.98 -47.76 64.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.075 -0.966 . . . . 39.880000000000003 111.506 178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ARG . . . . . 0.684 ' NH2' ' OE2' ' A' ' 15' ' ' GLU . 50.5 mtt-85 -53.34 -39.43 64.1 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 106.782 -1.562 . . . . 63.700000000000003 106.782 -178.203 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -61.82 -52.58 63.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.425 -1.716 . . . . 36.990000000000002 112.94 176.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.59 -44.54 77.05 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.803 -1.184 . . . . 63.619999999999997 107.803 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 36.8 t -59.14 -42.24 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 O-C-N 124.252 0.97 . . . . 55.109999999999999 112.199 177.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.68 -61.37 2.24 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 116.191 -0.458 . . . . 45.409999999999997 109.991 174.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -38.75 78.1 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.314 1.009 . . . . 79.989999999999995 110.717 -173.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.68 -42.14 91.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.779 -1.101 . . . . 47.649999999999999 111.374 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ARG . . . . . 0.682 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 41.5 mtt-85 -57.22 -44.84 84.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.792 -0.64 . . . . 66.170000000000002 109.407 175.443 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -61.73 -47.14 86.57 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.444 -0.947 . . . . 72.019999999999996 108.444 -175.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.26 -45.77 79.93 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.543 -1.208 . . . . 44.25 111.267 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.13 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 N-CA-C 112.39 0.515 . . . . 39.960000000000001 112.39 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.03 55.04 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 119.99 -1.1 . . . . 33.200000000000003 110.972 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 89.9 mtm-85 -54.39 -41.02 68.74 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 119.602 -0.839 . . . . 71.390000000000001 110.494 177.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.7 m -68.33 -40.66 81.56 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.624 0.726 . . . . 149.81 112.059 -179.4 -76.22 -117.723 -133.082 65.925 2.034 95.709 -144.337 -148.528 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -67.84 -30.44 69.83 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 104.931 -2.248 . . . . 52.409999999999997 104.931 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -73.21 -44.52 59.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.629 -0.829 . . . . 56.020000000000003 112.028 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -55.2 -36.99 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.723 0.773 . . . . 30.75 110.917 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.6 -39.43 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 114.477 1.288 . . . . 44.289999999999999 114.477 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.239 0.505 0 N-CA-C 114.386 1.254 . . . . 84.290000000000006 114.386 175.39 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' 3CG . . . . . 0.403 ' C15' ' C3 ' ' A' ' 101' ' ' 3CG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 1.7 p30 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 115.374 1.62 . . . . 72.239999999999995 115.374 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 2' ' ' ASP . 31.4 Cg_endo -86.11 56.52 3.86 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 N-CA-C 113.647 0.595 . . . . 86.989999999999995 113.647 -165.247 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t0 27.91 96.88 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.542 1.682 . . . . 77.310000000000002 115.542 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 8' ' ' ARG . 5.1 mt -57.2 -41.38 79.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.057 -0.657 . . . . 64.230000000000004 110.496 -176.449 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -45.21 -49.87 11.96 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.014 -1.106 . . . . 52.789999999999999 108.014 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.5 mt -67.39 -58.33 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.17 -0.923 . . . . 57.149999999999999 112.642 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -40.52 -51.91 2.86 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 124.605 1.19 . . . . 108.40000000000001 112.394 -179.905 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.47 62.78 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 114.577 -1.192 . . . . 26.98 109.672 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.57 -44.67 36.88 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.477 1.111 . . . . 36.100000000000001 112.29 173.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.83 -47.64 79.98 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.317 -0.856 . . . . 57.229999999999997 108.772 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . 0.557 HD11 ' HG3' ' B' ' 13' ' ' GLU . 7.5 mt -56.95 -42.42 80.06 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.193 -0.912 . . . . 51.32 111.152 178.098 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -55.04 38.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.897 -0.779 . . . . 81.25 108.897 178.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -57.09 -41.7 79.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 123.631 0.582 . . . . 49.109999999999999 109.878 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 13.2 tt0 -62.6 -57.04 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.135 -0.626 . . . . 87.400000000000006 110.557 -179.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' B' ' 16' ' ' ASN . 2.1 m-20 -44.63 -49.66 10.17 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 116.019 1.859 . . . . 51.390000000000001 116.019 173.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 p -61.33 -41.49 97.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.307 -0.998 . . . . 47.869999999999997 108.307 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -61.56 -38.86 89.03 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 122.171 0.986 . . . . 64.760000000000005 110.172 -179.181 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -67.19 -50.65 60.16 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 113.561 -1.654 . . . . 39.640000000000001 110.838 -179.576 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -56.27 -37.02 69.26 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 105.774 -1.936 . . . . 63.829999999999998 105.774 -177.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 18' ' ' ALA . 19.4 m -62.15 -54.33 42.67 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.882 -1.053 . . . . 43.460000000000001 113.505 174.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . 0.682 ' OE2' ' NH2' ' B' ' 27' ' ' ARG . 61.6 tt0 -53.16 -45.72 68.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.933 -0.576 . . . . 73.140000000000001 109.684 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.39 -42.4 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 O-C-N 123.98 0.8 . . . . 46.399999999999999 112.693 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.99 -57.13 10.38 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.437 -0.579 . . . . 85.739999999999995 109.437 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.84 -36.65 84.6 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.062 0.851 . . . . 88.810000000000002 110.554 -172.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.12 -40.83 78.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.419 -0.81 . . . . 53.369999999999997 111.712 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.98 -39.64 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.248 -0.981 . . . . 56.93 110.446 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -61.22 -48.47 81.35 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.181 -1.415 . . . . 47.200000000000003 107.181 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.24 -46.99 69.38 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 124.981 1.425 . . . . 60.780000000000001 111.672 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.51 -39.07 81.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.611 -0.722 . . . . 43.979999999999997 111.149 -179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.57 -52.06 35.15 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.391 -0.909 . . . . 33.759999999999998 111.14 172.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -39.35 75.78 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 118.791 -1.164 . . . . 76.849999999999994 110.157 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.16 -40.2 86.61 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.105 0.955 . . . . 48.520000000000003 111.696 -179.211 -148.528 -144.337 -133.082 95.709 2.034 65.925 -117.723 -76.22 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -68.05 -32.48 72.86 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 104.818 -2.29 . . . . 59.82 104.818 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -46.13 63.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.957 -0.697 . . . . 66.469999999999999 110.195 -179.615 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -54.29 -38.68 40.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 122.248 1.023 . . . . 56.93 110.514 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.87 -38.98 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.444 -1.253 . . . . 49.170000000000002 113.112 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.242 0.703 0 N-CA-C 115.447 1.647 . . . . 88.760000000000005 115.447 171.82 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 2' ' ' ASP . 17.4 p-10 . . . . . 0 C--O 1.213 -0.829 0 N-CA-C 114.609 1.337 . . . . 94.590000000000003 114.609 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -88.32 55.2 2.36 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 118.177 -0.749 . . . . 98.109999999999999 113.158 -163.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 29.12 96.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.602 1.561 . . . . 90.0 114.918 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.62 -40.64 83.89 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.662 -0.699 . . . . 65.200000000000003 109.587 -176.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.3 -52.17 7.79 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.087 -0.709 . . . . 59.359999999999999 109.087 179.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mm -62.33 -62.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.705 1.602 . . . . 54.369999999999997 112.748 173.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.99 -43.22 19.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.998 0.811 . . . . 101.25 113.06 -176.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.9 60.34 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 109.355 -0.609 . . . . 35.159999999999997 109.355 -179.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.77 -46.02 50.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 124.559 1.162 . . . . 36.719999999999999 112.422 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.01 -46.54 88.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.248 -1.019 . . . . 65.859999999999999 108.248 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.22 -37.99 87.47 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.393 -0.822 . . . . 55.289999999999999 110.313 -177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.557 ' HG3' HD11 ' A' ' 12' ' ' LEU . 24.1 mt-10 -59.44 -51.46 69.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.504 -0.554 . . . . 69.879999999999995 109.504 178.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -55.48 -43.7 75.82 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.113 -0.699 . . . . 62.289999999999999 109.113 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.47 -59.71 4.58 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.433 -0.507 . . . . 86.549999999999997 109.81 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . 0.417 ' HB2' ' OD1' ' A' ' 16' ' ' ASN . 25.3 t-20 -40.25 -49.87 2.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.92 1.288 . . . . 63.979999999999997 112.647 174.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -65.77 -42.53 90.71 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.016 0.912 . . . . 42.560000000000002 108.78 -176.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' B' ' 21' ' ' THR . . . -59.1 -37.97 78.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.608 -1.178 . . . . 53.57 110.752 -179.906 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . 0.475 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 7.4 mt -68.98 -47.76 64.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.075 -0.966 . . . . 39.880000000000003 111.506 178.696 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ARG . . . . . 0.684 ' NH2' ' OE2' ' A' ' 15' ' ' GLU . 50.5 mtt-85 -53.34 -39.43 64.1 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 106.782 -1.562 . . . . 63.700000000000003 106.782 -178.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' B' ' 18' ' ' ALA . 5.7 m -61.82 -52.58 63.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.425 -1.716 . . . . 36.990000000000002 112.94 176.713 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.59 -44.54 77.05 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.803 -1.184 . . . . 63.619999999999997 107.803 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' B' ' 27' ' ' ARG . 36.8 t -59.14 -42.24 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 O-C-N 124.252 0.97 . . . . 55.109999999999999 112.199 177.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.68 -61.37 2.24 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 116.191 -0.458 . . . . 45.409999999999997 109.991 174.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -38.75 78.1 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.314 1.009 . . . . 79.989999999999995 110.717 -173.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 26' ' ' LEU . 11.8 mt -65.68 -42.14 91.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.779 -1.101 . . . . 47.649999999999999 111.374 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ARG . . . . . 0.682 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 41.5 mtt-85 -57.22 -44.84 84.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.792 -0.64 . . . . 66.170000000000002 109.407 175.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . 0.596 ' HG2' HH12 ' B' ' 32' ' ' ARG . 27.4 tttp -61.73 -47.14 86.57 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.444 -0.947 . . . . 72.019999999999996 108.444 -175.253 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.26 -45.77 79.93 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.543 -1.208 . . . . 44.25 111.267 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.13 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 N-CA-C 112.39 0.515 . . . . 39.960000000000001 112.39 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.03 55.04 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 119.99 -1.1 . . . . 33.200000000000003 110.972 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ARG . . . . . 0.596 HH12 ' HG2' ' B' ' 28' ' ' LYS . 89.9 mtm-85 -54.39 -41.02 68.74 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 119.602 -0.839 . . . . 71.390000000000001 110.494 177.091 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.7 m -68.33 -40.66 81.56 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.624 0.726 . . . . 149.81 112.059 -179.4 -76.22 -117.723 -133.082 65.925 2.034 95.709 -144.337 -148.528 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -67.84 -30.44 69.83 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 104.931 -2.248 . . . . 52.409999999999997 104.931 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -73.21 -44.52 59.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.629 -0.829 . . . . 56.020000000000003 112.028 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -55.2 -36.99 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.723 0.773 . . . . 30.75 110.917 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.6 -39.43 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 114.477 1.288 . . . . 44.289999999999999 114.477 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.239 0.505 0 N-CA-C 114.386 1.254 . . . . 84.290000000000006 114.386 175.39 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' 3CG . . . . . 0.403 ' C15' ' C3 ' ' A' ' 101' ' ' 3CG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.438 ' N ' ' HD3' ' A' ' 3' ' ' PRO . 1.7 p30 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 115.374 1.62 . . . . 72.239999999999995 115.374 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 2' ' ' ASP . 31.4 Cg_endo -86.11 56.52 3.86 Favored 'Trans proline' 0 CA--C 1.548 1.216 0 N-CA-C 113.647 0.595 . . . . 86.989999999999995 113.647 -165.247 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t0 27.91 96.88 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.542 1.682 . . . . 77.310000000000002 115.542 -179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 8' ' ' ARG . 5.1 mt -57.2 -41.38 79.29 Favored 'General case' 0 N--CA 1.448 -0.543 0 C-N-CA 120.057 -0.657 . . . . 64.230000000000004 110.496 -176.449 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -45.21 -49.87 11.96 Favored 'General case' 0 C--O 1.242 0.71 0 N-CA-C 108.014 -1.106 . . . . 52.789999999999999 108.014 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 42.5 mt -67.39 -58.33 6.64 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.17 -0.923 . . . . 57.149999999999999 112.642 176.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HB2' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -40.52 -51.91 2.86 Favored 'General case' 0 N--CA 1.463 0.207 0 O-C-N 124.605 1.19 . . . . 108.40000000000001 112.394 -179.905 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.5 -51.47 62.78 Favored 'General case' 0 CA--C 1.498 -1.027 0 CA-C-N 114.577 -1.192 . . . . 26.98 109.672 -176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -48.57 -44.67 36.88 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 124.477 1.111 . . . . 36.100000000000001 112.29 173.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -63.83 -47.64 79.98 Favored 'General case' 0 N--CA 1.441 -0.91 0 CA-C-N 115.317 -0.856 . . . . 57.229999999999997 108.772 -177.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.557 HD11 ' HG3' ' B' ' 13' ' ' GLU . 7.5 mt -56.95 -42.42 80.06 Favored 'General case' 0 C--O 1.217 -0.627 0 CA-C-N 115.193 -0.912 . . . . 51.32 111.152 178.098 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.42 -55.04 38.51 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.897 -0.779 . . . . 81.25 108.897 178.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 tptt -57.09 -41.7 79.38 Favored 'General case' 0 C--O 1.24 0.574 0 O-C-N 123.631 0.582 . . . . 49.109999999999999 109.878 -178.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.684 ' OE2' ' NH2' ' B' ' 20' ' ' ARG . 13.2 tt0 -62.6 -57.04 12.5 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.135 -0.626 . . . . 87.400000000000006 110.557 -179.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.417 ' OD1' ' HB2' ' B' ' 16' ' ' ASN . 2.1 m-20 -44.63 -49.66 10.17 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 116.019 1.859 . . . . 51.390000000000001 116.019 173.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.3 p -61.33 -41.49 97.11 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.307 -0.998 . . . . 47.869999999999997 108.307 -179.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' HB ' ' A' ' 21' ' ' THR . . . -61.56 -38.86 89.03 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 122.171 0.986 . . . . 64.760000000000005 110.172 -179.181 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HG ' ' HB3' ' B' ' 19' ' ' LEU . 0.0 OUTLIER -67.19 -50.65 60.16 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 113.561 -1.654 . . . . 39.640000000000001 110.838 -179.576 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.2 mtt-85 -56.27 -37.02 69.26 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 105.774 -1.936 . . . . 63.829999999999998 105.774 -177.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 18' ' ' ALA . 19.4 m -62.15 -54.33 42.67 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.882 -1.053 . . . . 43.460000000000001 113.505 174.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.682 ' OE2' ' NH2' ' B' ' 27' ' ' ARG . 61.6 tt0 -53.16 -45.72 68.57 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.933 -0.576 . . . . 73.140000000000001 109.684 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.8 t -57.39 -42.4 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 O-C-N 123.98 0.8 . . . . 46.399999999999999 112.693 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.99 -57.13 10.38 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 109.437 -0.579 . . . . 85.739999999999995 109.437 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -63.84 -36.65 84.6 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 124.062 0.851 . . . . 88.810000000000002 110.554 -172.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.9 mt -69.12 -40.83 78.09 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.419 -0.81 . . . . 53.369999999999997 111.712 179.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -58.98 -39.64 82.39 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.248 -0.981 . . . . 56.93 110.446 175.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -61.22 -48.47 81.35 Favored 'General case' 0 CA--C 1.504 -0.79 0 N-CA-C 107.181 -1.415 . . . . 47.200000000000003 107.181 -177.197 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -53.24 -46.99 69.38 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 124.981 1.425 . . . . 60.780000000000001 111.672 177.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.51 -39.07 81.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 115.611 -0.722 . . . . 43.979999999999997 111.149 -179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -51.57 -52.06 35.15 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.391 -0.909 . . . . 33.759999999999998 111.14 172.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.36 -39.35 75.78 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 118.791 -1.164 . . . . 76.849999999999994 110.157 179.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.6 t -67.16 -40.2 86.61 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 122.105 0.955 . . . . 48.520000000000003 111.696 -179.211 -148.528 -144.337 -133.082 95.709 2.034 65.925 -117.723 -76.22 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -68.05 -32.48 72.86 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 104.818 -2.29 . . . . 59.82 104.818 -175.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.75 -46.13 63.54 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 119.957 -0.697 . . . . 66.469999999999999 110.195 -179.615 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.4 mt -54.29 -38.68 40.66 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 CA-C-O 122.248 1.023 . . . . 56.93 110.514 -178.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 20.1 t -72.87 -38.98 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.769 0 CA-C-N 114.444 -1.253 . . . . 49.170000000000002 113.112 -179.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.3 m . . . . . 0 C--O 1.242 0.703 0 N-CA-C 115.447 1.647 . . . . 88.760000000000005 115.447 171.82 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 2' ' ' ASP . 17.4 p-10 . . . . . 0 C--O 1.213 -0.829 0 N-CA-C 114.609 1.337 . . . . 94.590000000000003 114.609 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_endo -88.32 55.2 2.36 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 118.177 -0.749 . . . . 98.109999999999999 113.158 -163.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.9 t0 29.12 96.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.602 1.561 . . . . 90.0 114.918 -179.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -58.62 -40.64 83.89 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.662 -0.699 . . . . 65.200000000000003 109.587 -176.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -44.3 -52.17 7.79 Favored 'General case' 0 C--O 1.245 0.823 0 N-CA-C 109.087 -0.709 . . . . 59.359999999999999 109.087 179.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ILE . . . . . . . . . . . . . 1.5 mm -62.33 -62.9 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 125.705 1.602 . . . . 54.369999999999997 112.748 173.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 17.2 ttt85 -46.99 -43.22 19.13 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 123.998 0.811 . . . . 101.25 113.06 -176.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.59 -51.9 60.34 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 109.355 -0.609 . . . . 35.159999999999997 109.355 -179.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.77 -46.02 50.27 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 124.559 1.162 . . . . 36.719999999999999 112.422 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -62.01 -46.54 88.74 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 108.248 -1.019 . . . . 65.859999999999999 108.248 -178.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 mt -62.22 -37.99 87.47 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 115.393 -0.822 . . . . 55.289999999999999 110.313 -177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.557 ' HG3' HD11 ' A' ' 12' ' ' LEU . 24.1 mt-10 -59.44 -51.46 69.79 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 109.504 -0.554 . . . . 69.879999999999995 109.504 178.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -55.48 -43.7 75.82 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 109.113 -0.699 . . . . 62.289999999999999 109.113 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.47 -59.71 4.58 Favored 'General case' 0 CA--C 1.513 -0.45 0 C-N-CA 120.433 -0.507 . . . . 86.549999999999997 109.81 -177.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.417 ' HB2' ' OD1' ' A' ' 16' ' ' ASN . 25.3 t-20 -40.25 -49.87 2.71 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.92 1.288 . . . . 63.979999999999997 112.647 174.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 3.2 m -65.77 -42.53 90.71 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 122.016 0.912 . . . . 42.560000000000002 108.78 -176.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.439 ' O ' ' HB ' ' B' ' 21' ' ' THR . . . -59.1 -37.97 78.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 114.608 -1.178 . . . . 53.57 110.752 -179.906 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . 0.475 ' HB3' ' HG ' ' A' ' 19' ' ' LEU . 7.4 mt -68.98 -47.76 64.79 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.075 -0.966 . . . . 39.880000000000003 111.506 178.696 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.684 ' NH2' ' OE2' ' A' ' 15' ' ' GLU . 50.5 mtt-85 -53.34 -39.43 64.1 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 106.782 -1.562 . . . . 63.700000000000003 106.782 -178.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . 0.439 ' HB ' ' O ' ' B' ' 18' ' ' ALA . 5.7 m -61.82 -52.58 63.59 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 113.425 -1.716 . . . . 36.990000000000002 112.94 176.713 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.59 -44.54 77.05 Favored 'General case' 0 CA--C 1.507 -0.681 0 N-CA-C 107.803 -1.184 . . . . 63.619999999999997 107.803 -178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' B' ' 27' ' ' ARG . 36.8 t -59.14 -42.24 86.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 O-C-N 124.252 0.97 . . . . 55.109999999999999 112.199 177.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.68 -61.37 2.24 Favored 'General case' 0 C--O 1.244 0.798 0 CA-C-N 116.191 -0.458 . . . . 45.409999999999997 109.991 174.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -38.75 78.1 Favored 'General case' 0 C--O 1.239 0.543 0 O-C-N 124.314 1.009 . . . . 79.989999999999995 110.717 -173.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' B' ' 26' ' ' LEU . 11.8 mt -65.68 -42.14 91.63 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.779 -1.101 . . . . 47.649999999999999 111.374 -179.417 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.682 ' NH2' ' OE2' ' A' ' 22' ' ' GLU . 41.5 mtt-85 -57.22 -44.84 84.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.792 -0.64 . . . . 66.170000000000002 109.407 175.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.596 ' HG2' HH12 ' B' ' 32' ' ' ARG . 27.4 tttp -61.73 -47.14 86.57 Favored 'General case' 0 C--O 1.245 0.865 0 N-CA-C 108.444 -0.947 . . . . 72.019999999999996 108.444 -175.253 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -56.26 -45.77 79.93 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.543 -1.208 . . . . 44.25 111.267 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 t -61.13 -44.11 97.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 N-CA-C 112.39 0.515 . . . . 39.960000000000001 112.39 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . -53.57 -50.03 55.04 Favored Glycine 0 N--CA 1.442 -0.925 0 C-N-CA 119.99 -1.1 . . . . 33.200000000000003 110.972 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.596 HH12 ' HG2' ' B' ' 28' ' ' LYS . 89.9 mtm-85 -54.39 -41.02 68.74 Favored 'General case' 0 C--O 1.219 -0.502 0 C-N-CA 119.602 -0.839 . . . . 71.390000000000001 110.494 177.091 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' CYS . . . . . . . . . . . . . 51.7 m -68.33 -40.66 81.56 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.624 0.726 . . . . 149.81 112.059 -179.4 -76.22 -117.723 -133.082 65.925 2.034 95.709 -144.337 -148.528 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -67.84 -30.44 69.83 Favored 'General case' 0 C--O 1.244 0.799 0 N-CA-C 104.931 -2.248 . . . . 52.409999999999997 104.931 -173.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -73.21 -44.52 59.55 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 119.629 -0.829 . . . . 56.020000000000003 112.028 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.4 mt -55.2 -36.99 41.81 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 CA-C-O 121.723 0.773 . . . . 30.75 110.917 177.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 46.4 t -73.6 -39.43 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 N-CA-C 114.477 1.288 . . . . 44.289999999999999 114.477 177.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.239 0.505 0 N-CA-C 114.386 1.254 . . . . 84.290000000000006 114.386 175.39 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' 3CG . . . . . 0.403 ' C15' ' C3 ' ' A' ' 101' ' ' 3CG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_