data_4m4j_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 4m4j _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 ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 111.722 -0.551 . . . . 36.460000000000001 111.722 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 pp -65.46 -37.09 79.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 115.091 1.515 . . . . 56.32 115.091 -175.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.9 t -57.97 -38.34 66.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.796 -1.187 . . . . 42.539999999999999 107.796 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -70.75 -55.61 8.23 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.41 -0.814 . . . . 44.090000000000003 111.743 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . 0.583 ' NE2' ' O ' ' A' ' 109' ' ' HOH . 3.5 pt20 -61.75 -38.97 89.96 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.72 1.748 . . . . 44.399999999999999 115.72 -177.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.46 -36.06 81.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.731 0.696 . . . . 18.149999999999999 110.549 177.751 -67.979 -71.472 103.815 101.986 2.018 100.722 -157.883 66.559 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -87.29 -48.41 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.333 0.864 . . . . 29.030000000000001 113.333 -178.226 -173.713 54.356 95.759 105.003 2.022 96.739 -92.092 -55.793 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.45 58.69 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.982 -0.687 . . . . 30.68 111.818 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -119.06 -129.34 0.29 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.093 -0.503 . . . . 31.050000000000001 111.163 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.73 160.64 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.714 -0.847 . . . . 33.329999999999998 108.714 169.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -145.01 163.97 32.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.367 -0.975 . . . . 17.649999999999999 108.367 176.771 66.559 -157.883 103.815 100.722 2.018 101.986 -71.472 -67.979 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.1 p -106.64 162.98 13.27 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.984 -0.747 . . . . 15.369999999999999 108.984 -176.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -26.16 66.06 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.255 -1.017 . . . . 21.25 108.255 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.69 -39.12 80.7 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.816 -0.629 . . . . 30.710000000000001 111.663 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.85 -33.42 74.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 120.866 -0.334 . . . . 28.859999999999999 110.961 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.51 -29.43 68.84 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.404 0.52 . . . . 20.57 112.404 -179.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.2 -26.06 64.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 39.869999999999997 112.296 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -57.17 -20.36 26.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 120.607 -0.437 . . . . 44.829999999999998 111.747 176.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -103.11 1.72 33.67 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 114.796 1.406 . . . . 53.189999999999998 114.796 -173.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.52 155.77 40.28 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.601 -0.888 . . . . 18.809999999999999 108.601 173.955 -60.414 -37.537 -83.445 107.387 2.049 101.349 -60.02 -57.112 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.8 m120 . . . . . 0 CA--C 1.506 -0.723 0 C-N-CA 119.791 -0.764 . . . . 50.409999999999997 109.571 174.997 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.703 1.001 . . . . 55.619999999999997 113.703 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.41 153.4 43.82 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.015 -0.539 . . . . 43.189999999999998 111.898 175.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.47 141.2 51.96 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.116 -0.493 . . . . 23.41 111.197 -167.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -110.06 105.51 14.66 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.271 -0.641 . . . . 37.340000000000003 109.271 168.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.3 mt -130.74 111.92 12.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.647 0.26 . . . . 14.66 111.375 -166.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -118.42 149.34 41.41 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.932 0.396 . . . . 19.34 110.383 178.182 -55.793 -92.092 95.759 96.739 2.022 105.003 54.356 -173.713 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.05 52.25 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 115.519 0.968 . . . . 18.260000000000002 115.519 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p -61.85 -20.57 63.83 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 120.347 -0.541 . . . . 21.460000000000001 112.14 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.16 -30.49 67.65 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.586 -0.446 . . . . 15.43 110.425 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.3 -41.3 76.95 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 119.378 -0.929 . . . . 26.690000000000001 110.04 175.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.4 m -64.97 -36.7 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 118.391 -1.324 . . . . 15.33 110.66 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.71 -47.81 81.34 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 120.552 -0.459 . . . . 30.140000000000001 110.75 171.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.0 90.55 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.45 -0.5 . . . . 9.7699999999999996 111.845 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.44 -44.39 89.17 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.174 -0.61 . . . . 12.81 110.47 174.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.36 -45.72 92.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.178 -0.609 . . . . 28.57 109.899 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.35 -47.85 82.44 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.151 0.797 . . . . 15.25 113.151 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.16 -38.97 76.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 113.037 0.755 . . . . 19.16 113.037 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.65 -29.25 13.93 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.561 0.948 . . . . 24.0 113.561 -171.854 -57.112 -60.02 -83.445 101.349 2.049 107.387 -37.537 -60.414 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 37.97 -122.68 1.14 Allowed Glycine 0 C--O 1.242 0.604 0 O-C-N 123.815 0.697 . . . . 25.170000000000002 114.28 -175.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.25 -33.03 39.76 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 114.474 1.287 . . . . 67.519999999999996 114.474 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.59 -28.15 69.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.386 -0.37 . . . . 43.609999999999999 110.682 -176.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.5 173.82 45.28 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.435 -0.666 . . . . 22.52 111.435 -173.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -157.48 164.27 37.6 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.52 -0.472 . . . . 17.030000000000001 109.783 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -109.01 132.0 54.53 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.15 -1.056 . . . . 39.270000000000003 108.15 170.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -103.89 109.57 21.37 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.896 -1.52 . . . . 24.699999999999999 106.896 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -133.65 79.22 59.73 Favored Pre-proline 0 C--O 1.237 0.436 0 CA-C-N 115.285 -0.871 . . . . 31.010000000000002 111.076 -167.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -75.96 -176.39 3.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.05 1.833 . . . . 36.920000000000002 109.062 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? . . . . . 0 C--O 1.238 0.48 0 C-N-CA 120.36 -0.536 . . . . 50.170000000000002 111.118 172.208 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 111.146 -0.781 . . . . 30.09 111.146 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt -55.59 -42.09 67.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 114.197 1.184 . . . . 23.82 114.197 -175.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.84 -43.36 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.26 0.553 . . . . 21.859999999999999 110.19 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.94 -42.58 94.54 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.478 -0.328 . . . . 35.850000000000001 111.003 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLN . . . . . 0.733 ' NE2' ' O ' ' C' ' 103' ' ' HOH . 99.5 mm-40 -68.51 -44.86 73.75 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.112 0.482 . . . . 51.600000000000001 112.031 -178.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -110.97 -19.29 12.83 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 115.562 1.69 . . . . 23.690000000000001 115.562 -166.145 -65.03 -83.212 110.103 98.68 2.043 92.375 -157.778 71.226 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.72 -56.78 2.13 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.488 -0.485 . . . . 25.539999999999999 110.963 -179.168 178.46 56.755 98.248 110.563 2.023 96.598 -88.74 -51.206 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -55.68 20.86 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.328 -0.619 . . . . 36.299999999999997 109.328 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -87.12 -156.54 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.765 -0.652 . . . . 27.539999999999999 109.624 170.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.56 156.17 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 107.786 -1.19 . . . . 22.100000000000001 107.786 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -129.94 151.67 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.216 -0.994 . . . . 21.300000000000001 111.453 179.345 71.226 -157.778 110.103 92.375 2.043 98.68 -83.212 -65.03 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -88.14 162.15 16.89 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.363 -0.835 . . . . 23.170000000000002 110.043 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.99 -32.5 72.07 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.94 -1.104 . . . . 42.450000000000003 109.781 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -64.25 -33.87 76.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.815 -0.354 . . . . 54.520000000000003 111.788 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -68.57 -38.01 80.37 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.081 -1.048 . . . . 40.670000000000002 108.377 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.94 -33.29 75.03 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.05 -0.66 . . . . 25.620000000000001 111.288 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.05 -19.88 35.0 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.903 1.075 . . . . 41.490000000000002 113.903 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.64 -18.58 62.57 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.196 0.522 . . . . 24.010000000000002 111.808 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -106.45 7.01 30.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.947 0.721 . . . . 18.010000000000002 112.947 -174.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 77.3 m -75.66 149.62 38.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.81 -0.441 . . . . 21.039999999999999 109.81 173.4 -60.933 -40.599 -83.907 109.831 2.017 101.213 -63.069 -57.667 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 120.583 0.23 . . . . 38.460000000000001 111.356 176.379 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.894 0.378 . . . . 52.030000000000001 111.605 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.6 159.66 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.077 -0.51 . . . . 46.43 109.839 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -78.47 153.73 31.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.819 -0.438 . . . . 50.229999999999997 109.819 170.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . 0.722 ' O ' ' O ' ' D' ' 218' ' ' HOH . 15.0 pt20 -165.49 169.26 15.73 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.12 0.415 . . . . 45.740000000000002 112.12 169.493 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -78.71 123.5 27.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 123.382 0.426 . . . . 26.960000000000001 110.623 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -130.02 111.06 12.14 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.813 -0.81 . . . . 18.579999999999998 108.813 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 m -124.48 148.86 47.42 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.395 0.517 . . . . 20.239999999999998 112.395 -176.564 -51.206 -88.74 98.248 96.598 2.023 110.563 56.755 178.46 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -129.2 48.58 Favored Glycine 0 C--O 1.243 0.672 0 N-CA-C 114.637 0.615 . . . . 21.09 114.637 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -65.67 -23.82 66.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 118.1 -1.44 . . . . 19.57 110.433 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -70.56 -31.45 68.48 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.117 -0.633 . . . . 16.510000000000002 110.989 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.86 -41.81 70.93 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 108.625 -0.88 . . . . 14.390000000000001 108.625 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -69.49 -32.14 51.83 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 O-C-N 121.749 -0.594 . . . . 18.829999999999998 111.695 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.58 -41.28 97.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 119.438 -0.905 . . . . 38.719999999999999 109.678 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.09 93.11 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.685 -0.689 . . . . 13.5 109.44 -178.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.38 -44.11 92.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.981 -0.554 . . . . 17.800000000000001 112.032 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -58.65 -42.36 88.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.417 0.627 . . . . 18.789999999999999 111.105 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.53 -48.74 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.552 0.691 . . . . 32.439999999999998 109.992 -175.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.35 -41.26 83.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 CA-C-N 115.072 -0.967 . . . . 21.25 112.708 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -91.27 -32.72 15.63 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.435 0.902 . . . . 18.449999999999999 113.435 -172.458 -57.667 -63.069 -83.907 101.213 2.017 109.831 -40.599 -60.933 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.58 -124.08 25.15 Favored Glycine 0 C--N 1.332 0.33 0 O-C-N 123.729 0.643 . . . . 31.420000000000002 114.355 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . 0.554 ' N ' ' OE1' ' D' ' 21' ' ' GLU . 15.8 pm0 -71.1 -14.15 62.2 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.909 1.077 . . . . 66.400000000000006 113.909 -174.874 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -65.63 -27.88 68.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.224 0.535 . . . . 33.840000000000003 110.004 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.0 173.97 33.08 Favored Glycine 0 C--O 1.238 0.386 0 N-CA-C 108.78 -1.728 . . . . 18.329999999999998 108.78 -173.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -154.37 173.25 16.46 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.588 -0.523 . . . . 14.460000000000001 109.588 -177.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -124.5 135.7 53.41 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 107.444 -1.317 . . . . 22.059999999999999 107.444 171.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' TYR . . . . . 0.456 ' OH ' ' O ' ' D' ' 217' ' ' HOH . 45.2 t80 -109.87 108.96 19.44 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 107.697 -1.223 . . . . 22.390000000000001 107.697 172.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 40.8 p -133.29 82.0 54.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.453 0.644 . . . . 24.32 110.365 -176.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.88 -23.57 68.38 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.447 2.098 . . . . 25.969999999999999 112.894 -172.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.83 -18.25 60.97 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 112.938 0.718 . . . . 45.899999999999999 112.938 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 C-N-CA 119.766 -0.774 . . . . 32.829999999999998 110.888 -175.328 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.583 ' O ' ' NE2' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . 0.733 ' O ' ' NE2' ' C' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 217' ' ' HOH . . . . . 0.456 ' O ' ' OH ' ' D' ' 26' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 218' ' ' HOH . . . . . 0.722 ' O ' ' O ' ' D' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 111.722 -0.551 . . . . 36.460000000000001 111.722 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . 0.73 HG12 ' CZ ' ' A' ' 19' ' ' TYR . 2.0 pp -65.46 -37.09 79.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 115.091 1.515 . . . . 56.32 115.091 -175.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.9 t -57.97 -38.34 66.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.796 -1.187 . . . . 42.539999999999999 107.796 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -70.75 -55.61 8.23 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.41 -0.814 . . . . 44.090000000000003 111.743 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . 0.612 ' HG2' ' HA ' ' A' ' 2' ' ' ILE . 1.0 OUTLIER -61.75 -38.97 89.96 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.72 1.748 . . . . 44.399999999999999 115.72 -177.423 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.46 -36.06 81.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.731 0.696 . . . . 18.149999999999999 110.549 177.751 -67.979 -71.472 103.815 101.986 2.018 100.722 -157.883 66.559 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -87.29 -48.41 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.333 0.864 . . . . 29.030000000000001 113.333 -178.226 -173.713 54.356 95.759 105.003 2.022 96.739 -92.092 -55.793 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.45 58.69 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.982 -0.687 . . . . 30.68 111.818 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -119.06 -129.34 0.29 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.093 -0.503 . . . . 31.050000000000001 111.163 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.73 160.64 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.714 -0.847 . . . . 33.329999999999998 108.714 169.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -145.01 163.97 32.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.367 -0.975 . . . . 17.649999999999999 108.367 176.771 66.559 -157.883 103.815 100.722 2.018 101.986 -71.472 -67.979 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.1 p -106.64 162.98 13.27 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.984 -0.747 . . . . 15.369999999999999 108.984 -176.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -26.16 66.06 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.255 -1.017 . . . . 21.25 108.255 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.69 -39.12 80.7 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.816 -0.629 . . . . 30.710000000000001 111.663 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.85 -33.42 74.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 120.866 -0.334 . . . . 28.859999999999999 110.961 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.51 -29.43 68.84 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.404 0.52 . . . . 20.57 112.404 -179.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.2 -26.06 64.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 39.869999999999997 112.296 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -57.17 -20.36 26.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 120.607 -0.437 . . . . 44.829999999999998 111.747 176.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . 0.73 ' CZ ' HG12 ' A' ' 2' ' ' ILE . 45.0 m-85 -103.11 1.72 33.67 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 114.796 1.406 . . . . 53.189999999999998 114.796 -173.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.52 155.77 40.28 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.601 -0.888 . . . . 18.809999999999999 108.601 173.955 -60.414 -37.537 -83.445 107.387 2.049 101.349 -60.02 -57.112 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' B' ' 22' ' ' ARG . 32.8 m120 . . . . . 0 CA--C 1.506 -0.723 0 C-N-CA 119.791 -0.764 . . . . 50.409999999999997 109.571 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.703 1.001 . . . . 55.619999999999997 113.703 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.41 153.4 43.82 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.015 -0.539 . . . . 43.189999999999998 111.898 175.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.47 141.2 51.96 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.116 -0.493 . . . . 23.41 111.197 -167.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -110.06 105.51 14.66 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.271 -0.641 . . . . 37.340000000000003 109.271 168.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.3 mt -130.74 111.92 12.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.647 0.26 . . . . 14.66 111.375 -166.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -118.42 149.34 41.41 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.932 0.396 . . . . 19.34 110.383 178.182 -55.793 -92.092 95.759 96.739 2.022 105.003 54.356 -173.713 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.05 52.25 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 115.519 0.968 . . . . 18.260000000000002 115.519 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p -61.85 -20.57 63.83 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 120.347 -0.541 . . . . 21.460000000000001 112.14 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.16 -30.49 67.65 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.586 -0.446 . . . . 15.43 110.425 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.3 -41.3 76.95 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 119.378 -0.929 . . . . 26.690000000000001 110.04 175.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.4 m -64.97 -36.7 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 118.391 -1.324 . . . . 16.43 110.66 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.71 -47.81 81.34 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 120.552 -0.459 . . . . 30.140000000000001 110.75 171.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.0 90.55 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.45 -0.5 . . . . 9.7699999999999996 111.845 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.44 -44.39 89.17 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.174 -0.61 . . . . 12.81 110.47 174.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.36 -45.72 92.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.178 -0.609 . . . . 28.57 109.899 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.35 -47.85 82.44 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.151 0.797 . . . . 15.25 113.151 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.16 -38.97 76.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 113.037 0.755 . . . . 19.16 113.037 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.65 -29.25 13.93 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.561 0.948 . . . . 24.0 113.561 -171.854 -57.112 -60.02 -83.445 101.349 2.049 107.387 -37.537 -60.414 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 37.97 -122.68 1.14 Allowed Glycine 0 C--O 1.242 0.604 0 O-C-N 123.815 0.697 . . . . 25.170000000000002 114.28 -175.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.25 -33.03 39.76 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 114.474 1.287 . . . . 67.519999999999996 114.474 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 77.7 mtp180 -64.59 -28.15 69.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.386 -0.37 . . . . 43.609999999999999 110.682 -176.029 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.5 173.82 45.28 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.435 -0.666 . . . . 22.52 111.435 -173.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -157.48 164.27 37.6 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.52 -0.472 . . . . 17.030000000000001 109.783 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' D' ' 25' ' ' PHE . 11.1 m-85 -109.01 132.0 54.53 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.15 -1.056 . . . . 39.270000000000003 108.15 170.614 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -103.89 109.57 21.37 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.896 -1.52 . . . . 24.699999999999999 106.896 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -133.65 79.22 59.73 Favored Pre-proline 0 C--O 1.237 0.436 0 CA-C-N 115.285 -0.871 . . . . 31.010000000000002 111.076 -167.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -75.96 -176.39 3.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.05 1.833 . . . . 36.920000000000002 109.062 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? . . . . . 0 C--O 1.238 0.48 0 C-N-CA 120.36 -0.536 . . . . 50.170000000000002 111.118 172.208 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 111.146 -0.781 . . . . 30.09 111.146 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt -55.59 -42.09 67.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 114.197 1.184 . . . . 23.82 114.197 -175.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.84 -43.36 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.26 0.553 . . . . 21.859999999999999 110.19 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.94 -42.58 94.54 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.478 -0.328 . . . . 35.850000000000001 111.003 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' C' ' 103' ' ' HOH . 99.5 mm-40 -68.51 -44.86 73.75 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.112 0.482 . . . . 51.600000000000001 112.031 -178.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -110.97 -19.29 12.83 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 115.562 1.69 . . . . 23.690000000000001 115.562 -166.145 -65.03 -83.212 110.103 98.68 2.043 92.375 -157.778 71.226 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.72 -56.78 2.13 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.488 -0.485 . . . . 25.539999999999999 110.963 -179.168 178.46 56.755 98.248 110.563 2.023 96.598 -88.74 -51.206 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -55.68 20.86 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.328 -0.619 . . . . 36.299999999999997 109.328 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -87.12 -156.54 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.765 -0.652 . . . . 27.539999999999999 109.624 170.733 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.56 156.17 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 107.786 -1.19 . . . . 22.100000000000001 107.786 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -129.94 151.67 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.216 -0.994 . . . . 21.300000000000001 111.453 179.345 71.226 -157.778 110.103 92.375 2.043 98.68 -83.212 -65.03 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -88.14 162.15 16.89 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.363 -0.835 . . . . 23.170000000000002 110.043 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.99 -32.5 72.07 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.94 -1.104 . . . . 42.450000000000003 109.781 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -64.25 -33.87 76.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.815 -0.354 . . . . 54.520000000000003 111.788 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -68.57 -38.01 80.37 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.081 -1.048 . . . . 40.670000000000002 108.377 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.94 -33.29 75.03 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.05 -0.66 . . . . 25.620000000000001 111.288 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.05 -19.88 35.0 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.903 1.075 . . . . 41.490000000000002 113.903 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.64 -18.58 62.57 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.196 0.522 . . . . 24.010000000000002 111.808 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -106.45 7.01 30.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.947 0.721 . . . . 18.010000000000002 112.947 -174.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 77.3 m -75.66 149.62 38.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.81 -0.441 . . . . 21.039999999999999 109.81 173.4 -60.933 -40.599 -83.907 109.831 2.017 101.213 -63.069 -57.667 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 120.583 0.23 . . . . 38.460000000000001 111.356 176.379 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.894 0.378 . . . . 52.030000000000001 111.605 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.6 159.66 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.077 -0.51 . . . . 46.43 109.839 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -78.47 153.73 31.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.819 -0.438 . . . . 50.229999999999997 109.819 170.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . 0.722 ' O ' ' O ' ' D' ' 218' ' ' HOH . 15.0 pt20 -165.49 169.26 15.73 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.12 0.415 . . . . 45.740000000000002 112.12 169.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -78.71 123.5 27.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 123.382 0.426 . . . . 26.960000000000001 110.623 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -130.02 111.06 12.14 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.813 -0.81 . . . . 18.579999999999998 108.813 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 m -124.48 148.86 47.42 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.395 0.517 . . . . 20.239999999999998 112.395 -176.564 -51.206 -88.74 98.248 96.598 2.023 110.563 56.755 178.46 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -129.2 48.58 Favored Glycine 0 C--O 1.243 0.672 0 N-CA-C 114.637 0.615 . . . . 21.09 114.637 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -65.67 -23.82 66.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 118.1 -1.44 . . . . 19.57 110.433 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -70.56 -31.45 68.48 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.117 -0.633 . . . . 16.510000000000002 110.989 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.86 -41.81 70.93 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 108.625 -0.88 . . . . 14.390000000000001 108.625 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -69.49 -32.14 51.83 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 O-C-N 121.749 -0.594 . . . . 18.829999999999998 111.695 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.58 -41.28 97.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 119.438 -0.905 . . . . 38.719999999999999 109.678 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.09 93.11 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.685 -0.689 . . . . 13.5 109.44 -178.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.38 -44.11 92.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.981 -0.554 . . . . 17.800000000000001 112.032 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -58.65 -42.36 88.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.417 0.627 . . . . 18.789999999999999 111.105 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' D' ' 17' ' ' LEU . 0.1 OUTLIER -67.53 -48.74 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.552 0.691 . . . . 32.439999999999998 109.992 -175.41 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.35 -41.26 83.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 CA-C-N 115.072 -0.967 . . . . 21.25 112.708 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -91.27 -32.72 15.63 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.435 0.902 . . . . 18.449999999999999 113.435 -172.458 -57.667 -63.069 -83.907 101.213 2.017 109.831 -40.599 -60.933 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.58 -124.08 25.15 Favored Glycine 0 C--N 1.332 0.33 0 O-C-N 123.729 0.643 . . . . 31.420000000000002 114.355 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' D' ' 21' ' ' GLU . 15.8 pm0 -71.1 -14.15 62.2 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.909 1.077 . . . . 66.400000000000006 113.909 -174.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -65.63 -27.88 68.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.224 0.535 . . . . 33.840000000000003 110.004 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.0 173.97 33.08 Favored Glycine 0 C--O 1.238 0.386 0 N-CA-C 108.78 -1.728 . . . . 18.329999999999998 108.78 -173.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -154.37 173.25 16.46 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.588 -0.523 . . . . 14.460000000000001 109.588 -177.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PHE . . . . . 0.459 ' HB3' ' CE2' ' B' ' 25' ' ' PHE . 22.5 p90 -124.5 135.7 53.41 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 107.444 -1.317 . . . . 22.059999999999999 107.444 171.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 26' ' ' TYR . . . . . 0.413 ' OH ' ' O ' ' D' ' 217' ' ' HOH . 45.2 t80 -109.87 108.96 19.44 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 107.697 -1.223 . . . . 22.390000000000001 107.697 172.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 27' ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' ' 21' ' ' ASN . 40.8 p -133.29 82.0 54.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.453 0.644 . . . . 24.32 110.365 -176.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.88 -23.57 68.38 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.447 2.098 . . . . 25.969999999999999 112.894 -172.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.83 -18.25 60.97 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 112.938 0.718 . . . . 45.899999999999999 112.938 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 C-N-CA 119.766 -0.774 . . . . 32.829999999999998 110.888 -175.328 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . 0.54 ' O ' ' NE2' ' C' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 217' ' ' HOH . . . . . 0.413 ' O ' ' OH ' ' D' ' 26' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 218' ' ' HOH . . . . . 0.722 ' O ' ' O ' ' D' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 111.722 -0.551 . . . . 36.460000000000001 111.722 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.73 HG12 ' CZ ' ' A' ' 19' ' ' TYR . 2.0 pp -65.46 -37.09 79.23 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 115.091 1.515 . . . . 56.32 115.091 -175.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 50.9 t -57.97 -38.34 66.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 107.796 -1.187 . . . . 42.539999999999999 107.796 177.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -70.75 -55.61 8.23 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 115.41 -0.814 . . . . 44.090000000000003 111.743 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.612 ' HG2' ' HA ' ' A' ' 2' ' ' ILE . 3.5 pt20 -61.75 -38.97 89.96 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 115.72 1.748 . . . . 44.399999999999999 115.72 -177.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.0 m -62.46 -36.06 81.27 Favored 'General case' 0 C--O 1.223 -0.32 0 CA-C-N 118.731 0.696 . . . . 18.149999999999999 110.549 177.751 -67.979 -71.472 103.815 101.986 2.018 100.722 -157.883 66.559 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -87.29 -48.41 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 113.333 0.864 . . . . 29.030000000000001 113.333 -178.226 -173.713 54.356 95.759 105.003 2.022 96.739 -92.092 -55.793 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.45 58.69 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 119.982 -0.687 . . . . 30.68 111.818 -177.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 t -119.06 -129.34 0.29 Allowed 'General case' 0 CA--C 1.547 0.85 0 CA-C-N 116.093 -0.503 . . . . 31.050000000000001 111.163 175.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 15.8 m -135.73 160.64 39.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 108.714 -0.847 . . . . 33.329999999999998 108.714 169.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.2 p -145.01 163.97 32.58 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 108.367 -0.975 . . . . 17.649999999999999 108.367 176.771 66.559 -157.883 103.815 100.722 2.018 101.986 -71.472 -67.979 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.1 p -106.64 162.98 13.27 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.984 -0.747 . . . . 15.369999999999999 108.984 -176.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.67 -26.16 66.06 Favored 'General case' 0 C--O 1.238 0.471 0 N-CA-C 108.255 -1.017 . . . . 21.25 108.255 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -68.69 -39.12 80.7 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.816 -0.629 . . . . 30.710000000000001 111.663 178.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -61.85 -33.42 74.14 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 120.866 -0.334 . . . . 28.859999999999999 110.961 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.51 -29.43 68.84 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.404 0.52 . . . . 20.57 112.404 -179.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.2 -26.06 64.5 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.296 0.48 . . . . 39.869999999999997 112.296 177.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -57.17 -20.36 26.01 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 120.607 -0.437 . . . . 44.829999999999998 111.747 176.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.73 ' CZ ' HG12 ' A' ' 2' ' ' ILE . 45.0 m-85 -103.11 1.72 33.67 Favored 'General case' 0 CA--C 1.513 -0.477 0 N-CA-C 114.796 1.406 . . . . 53.189999999999998 114.796 -173.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.2 m -70.52 155.77 40.28 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.601 -0.888 . . . . 18.809999999999999 108.601 173.955 -60.414 -37.537 -83.445 107.387 2.049 101.349 -60.02 -57.112 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' B' ' 22' ' ' ARG . 32.8 m120 . . . . . 0 CA--C 1.506 -0.723 0 C-N-CA 119.791 -0.764 . . . . 50.409999999999997 109.571 174.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 CA--C 1.542 0.656 0 N-CA-C 113.703 1.001 . . . . 55.619999999999997 113.703 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -68.41 153.4 43.82 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.015 -0.539 . . . . 43.189999999999998 111.898 175.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 64.4 mm-40 -126.47 141.2 51.96 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 116.116 -0.493 . . . . 23.41 111.197 -167.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -110.06 105.51 14.66 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 109.271 -0.641 . . . . 37.340000000000003 109.271 168.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.3 mt -130.74 111.92 12.6 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.647 0.26 . . . . 14.66 111.375 -166.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 60.5 m -118.42 149.34 41.41 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 120.932 0.396 . . . . 19.34 110.383 178.182 -55.793 -92.092 95.759 96.739 2.022 105.003 54.356 -173.713 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.05 52.25 Favored Glycine 0 N--CA 1.452 -0.282 0 N-CA-C 115.519 0.968 . . . . 18.260000000000002 115.519 173.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p -61.85 -20.57 63.83 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 120.347 -0.541 . . . . 21.460000000000001 112.14 -177.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -70.16 -30.49 67.65 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 120.586 -0.446 . . . . 15.43 110.425 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 55.7 tp -69.3 -41.3 76.95 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 119.378 -0.929 . . . . 26.690000000000001 110.04 175.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 20.4 m -64.97 -36.7 78.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 118.391 -1.324 . . . . 16.43 110.66 -178.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -57.71 -47.81 81.34 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 120.552 -0.459 . . . . 30.140000000000001 110.75 171.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.06 -40.0 90.55 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 120.45 -0.5 . . . . 9.7699999999999996 111.845 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.44 -44.39 89.17 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 120.174 -0.61 . . . . 12.81 110.47 174.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -60.36 -45.72 92.48 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 120.178 -0.609 . . . . 28.57 109.899 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.35 -47.85 82.44 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.151 0.797 . . . . 15.25 113.151 177.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 42.9 t -70.16 -38.97 76.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 N-CA-C 113.037 0.755 . . . . 19.16 113.037 -177.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 63.5 m -96.65 -29.25 13.93 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 113.561 0.948 . . . . 24.0 113.561 -171.854 -57.112 -60.02 -83.445 101.349 2.049 107.387 -37.537 -60.414 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 37.97 -122.68 1.14 Allowed Glycine 0 C--O 1.242 0.604 0 O-C-N 123.815 0.697 . . . . 25.170000000000002 114.28 -175.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -52.25 -33.03 39.76 Favored 'General case' 0 C--O 1.243 0.756 0 N-CA-C 114.474 1.287 . . . . 67.519999999999996 114.474 -175.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 77.7 mtp180 -64.59 -28.15 69.43 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.386 -0.37 . . . . 43.609999999999999 110.682 -176.029 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.5 173.82 45.28 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.435 -0.666 . . . . 22.52 111.435 -173.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -157.48 164.27 37.6 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 120.52 -0.472 . . . . 17.030000000000001 109.783 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' D' ' 25' ' ' PHE . 11.1 m-85 -109.01 132.0 54.53 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.15 -1.056 . . . . 39.270000000000003 108.15 170.614 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -103.89 109.57 21.37 Favored 'General case' 0 C--O 1.245 0.853 0 N-CA-C 106.896 -1.52 . . . . 24.699999999999999 106.896 172.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 64.4 p -133.65 79.22 59.73 Favored Pre-proline 0 C--O 1.237 0.436 0 CA-C-N 115.285 -0.871 . . . . 31.010000000000002 111.076 -167.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -75.96 -176.39 3.0 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.05 1.833 . . . . 36.920000000000002 109.062 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? . . . . . 0 C--O 1.238 0.48 0 C-N-CA 120.36 -0.536 . . . . 50.170000000000002 111.118 172.208 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.413 ' O ' ' HG2' ' C' ' 5' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 111.146 -0.781 . . . . 30.09 111.146 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 14.9 tt -55.59 -42.09 67.16 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 114.197 1.184 . . . . 23.82 114.197 -175.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 65.0 t -63.84 -43.36 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-O 121.26 0.553 . . . . 21.859999999999999 110.19 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -64.94 -42.58 94.54 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 116.478 -0.328 . . . . 35.850000000000001 111.003 177.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLN . . . . . 0.54 ' NE2' ' O ' ' C' ' 103' ' ' HOH . 99.5 mm-40 -68.51 -44.86 73.75 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.112 0.482 . . . . 51.600000000000001 112.031 -178.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 93.3 m -110.97 -19.29 12.83 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 115.562 1.69 . . . . 23.690000000000001 115.562 -166.145 -65.03 -83.212 110.103 98.68 2.043 92.375 -157.778 71.226 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 43.4 t -104.72 -56.78 2.13 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.488 -0.485 . . . . 25.539999999999999 110.963 -179.168 178.46 56.755 98.248 110.563 2.023 96.598 -88.74 -51.206 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.9 -55.68 20.86 Favored 'General case' 0 C--O 1.236 0.375 0 N-CA-C 109.328 -0.619 . . . . 36.299999999999997 109.328 177.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 30.4 t -87.12 -156.54 0.33 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-N 115.765 -0.652 . . . . 27.539999999999999 109.624 170.733 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' VAL . . . . . . . . . . . . . 16.8 m -124.56 156.17 32.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 107.786 -1.19 . . . . 22.100000000000001 107.786 173.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 18.3 p -129.94 151.67 50.25 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.216 -0.994 . . . . 21.300000000000001 111.453 179.345 71.226 -157.778 110.103 92.375 2.043 98.68 -83.212 -65.03 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 94.0 p -88.14 162.15 16.89 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.363 -0.835 . . . . 23.170000000000002 110.043 179.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.99 -32.5 72.07 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 118.94 -1.104 . . . . 42.450000000000003 109.781 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -64.25 -33.87 76.82 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 120.815 -0.354 . . . . 54.520000000000003 111.788 177.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -68.57 -38.01 80.37 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 119.081 -1.048 . . . . 40.670000000000002 108.377 176.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 15.3 mt -62.94 -33.29 75.03 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 120.05 -0.66 . . . . 25.620000000000001 111.288 -179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.05 -19.88 35.0 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.903 1.075 . . . . 41.490000000000002 113.903 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -62.64 -18.58 62.57 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.196 0.522 . . . . 24.010000000000002 111.808 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -106.45 7.01 30.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 112.947 0.721 . . . . 18.010000000000002 112.947 -174.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 77.3 m -75.66 149.62 38.12 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.81 -0.441 . . . . 21.039999999999999 109.81 173.4 -60.933 -40.599 -83.907 109.831 2.017 101.213 -63.069 -57.667 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 . . . . . 0 N--CA 1.467 0.421 0 CA-C-O 120.583 0.23 . . . . 38.460000000000001 111.356 176.379 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 CA--C 1.536 0.435 0 CA-C-O 120.894 0.378 . . . . 52.030000000000001 111.605 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -124.6 159.66 30.47 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 116.077 -0.51 . . . . 46.43 109.839 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -78.47 153.73 31.17 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.819 -0.438 . . . . 50.229999999999997 109.819 170.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . 0.722 ' O ' ' O ' ' D' ' 218' ' ' HOH . 15.0 pt20 -165.49 169.26 15.73 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.12 0.415 . . . . 45.740000000000002 112.12 169.493 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -78.71 123.5 27.22 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 123.382 0.426 . . . . 26.960000000000001 110.623 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 72.1 mt -130.02 111.06 12.14 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 108.813 -0.81 . . . . 18.579999999999998 108.813 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 34.9 m -124.48 148.86 47.42 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 112.395 0.517 . . . . 20.239999999999998 112.395 -176.564 -51.206 -88.74 98.248 96.598 2.023 110.563 56.755 178.46 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.74 -129.2 48.58 Favored Glycine 0 C--O 1.243 0.672 0 N-CA-C 114.637 0.615 . . . . 21.09 114.637 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 79.5 p -65.67 -23.82 66.87 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 118.1 -1.44 . . . . 19.57 110.433 -175.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -70.56 -31.45 68.48 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 120.117 -0.633 . . . . 16.510000000000002 110.989 179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 14.8 tp -70.86 -41.81 70.93 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 108.625 -0.88 . . . . 14.390000000000001 108.625 -179.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -69.49 -32.14 51.83 Favored 'Isoleucine or valine' 0 C--O 1.246 0.869 0 O-C-N 121.749 -0.594 . . . . 18.829999999999998 111.695 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -61.58 -41.28 97.17 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 119.438 -0.905 . . . . 38.719999999999999 109.678 177.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.09 93.11 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.685 -0.689 . . . . 13.5 109.44 -178.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 62.0 mt -59.38 -44.11 92.81 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.981 -0.554 . . . . 17.800000000000001 112.032 174.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -58.65 -42.36 88.19 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.417 0.627 . . . . 18.789999999999999 111.105 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' D' ' 17' ' ' LEU . 0.1 OUTLIER -67.53 -48.74 66.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.552 0.691 . . . . 32.439999999999998 109.992 -175.41 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 53.1 t -68.35 -41.26 83.46 Favored 'Isoleucine or valine' 0 C--O 1.244 0.776 0 CA-C-N 115.072 -0.967 . . . . 21.25 112.708 -176.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 65.6 m -91.27 -32.72 15.63 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.435 0.902 . . . . 18.449999999999999 113.435 -172.458 -57.667 -63.069 -83.907 101.213 2.017 109.831 -40.599 -60.933 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 52.58 -124.08 25.15 Favored Glycine 0 C--N 1.332 0.33 0 O-C-N 123.729 0.643 . . . . 31.420000000000002 114.355 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' D' ' 21' ' ' GLU . 15.8 pm0 -71.1 -14.15 62.2 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.909 1.077 . . . . 66.400000000000006 113.909 -174.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -65.63 -27.88 68.71 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.224 0.535 . . . . 33.840000000000003 110.004 174.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.0 173.97 33.08 Favored Glycine 0 C--O 1.238 0.386 0 N-CA-C 108.78 -1.728 . . . . 18.329999999999998 108.78 -173.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -154.37 173.25 16.46 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.588 -0.523 . . . . 14.460000000000001 109.588 -177.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PHE . . . . . 0.459 ' HB3' ' CE2' ' B' ' 25' ' ' PHE . 22.5 p90 -124.5 135.7 53.41 Favored 'General case' 0 CA--C 1.503 -0.85 0 N-CA-C 107.444 -1.317 . . . . 22.059999999999999 107.444 171.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' TYR . . . . . 0.413 ' OH ' ' O ' ' D' ' 217' ' ' HOH . 45.2 t80 -109.87 108.96 19.44 Favored 'General case' 0 C--O 1.224 -0.249 0 N-CA-C 107.697 -1.223 . . . . 22.390000000000001 107.697 172.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' ' 21' ' ' ASN . 40.8 p -133.29 82.0 54.27 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.453 0.644 . . . . 24.32 110.365 -176.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.88 -23.57 68.38 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.447 2.098 . . . . 25.969999999999999 112.894 -172.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -73.83 -18.25 60.97 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 112.938 0.718 . . . . 45.899999999999999 112.938 -179.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 C-N-CA 119.766 -0.774 . . . . 32.829999999999998 110.888 -175.328 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' ' CU' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 . . . . . 0.583 ' O ' ' NE2' ' A' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . 0.54 ' O ' ' NE2' ' C' ' 5' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 217' ' ' HOH . . . . . 0.413 ' O ' ' OH ' ' D' ' 26' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 218' ' ' HOH . . . . . 0.722 ' O ' ' O ' ' D' ' 4' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_