data_3ont_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 3ont _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 ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 114.549 1.314 . . . . 117.0 114.549 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.71 154.68 47.48 Favored 'Trans proline' 0 C--N 1.362 1.273 0 C-N-CA 123.5 2.8 . . . . 115.3 114.718 -176.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -24.58 64.96 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.208 1.559 . . . . 117.42 115.208 -176.795 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -97.41 0.61 48.06 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.971 1.1 . . . . 107.95999999999999 113.971 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 p -80.32 154.9 27.51 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.378 0.881 . . . . 94.769999999999996 113.378 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tp -50.18 -43.77 52.57 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 123.725 0.81 . . . . 88.799999999999997 112.971 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -37.57 82.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.78 1.03 . . . . 89.530000000000001 113.78 -176.605 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -66.09 -45.17 82.19 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.562 -0.903 . . . . 78.379999999999995 108.562 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.1 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.973 0.909 . . . . 72.25 112.189 174.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 31.6 mtp -54.37 -52.04 62.87 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 113.977 1.103 . . . . 73.840000000000003 113.977 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.435 2.7 p30 -86.73 -8.33 57.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 114.347 -2.941 . . . . 81.670000000000002 116.694 -178.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -43.74 82.62 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 107.96 -1.126 . . . . 86.950000000000003 107.96 164.305 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -60.18 -49.77 76.32 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.606 -0.724 . . . . 61.289999999999999 110.853 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -59.78 -35.43 74.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.532 -0.758 . . . . 60.899999999999999 111.625 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.28 66.35 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.163 -0.68 . . . . 57.539999999999999 109.163 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.67 -40.82 87.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.089 0.471 . . . . 54.009999999999998 110.841 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.99 -39.72 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 C-N-CA 119.422 -0.911 . . . . 54.68 110.623 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.791 -0.764 . . . . 85.890000000000001 112.264 175.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.97 -41.93 97.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 120.371 -0.532 . . . . 59.869999999999997 112.234 172.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MSE . . . . . . . . . . . . . 53.7 ttp -56.18 -43.89 78.85 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.699 0.625 . . . . 56.460000000000001 109.766 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.93 -31.01 69.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.132 1.16 . . . . 74.159999999999997 114.132 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -67.12 -42.2 84.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.83 -0.804 . . . . 85.120000000000005 108.83 175.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -72.08 -44.5 65.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.413 0.894 . . . . 60.799999999999997 113.413 -173.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.18 77.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.989 0.899 . . . . 54.130000000000003 109.384 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' MSE . . . . . . . . . . . . . 0.9 OUTLIER -69.37 -37.08 77.41 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.135 -0.939 . . . . 84.969999999999999 113.029 -172.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.1 mt -121.55 86.97 45.08 Favored Pre-proline 0 C--O 1.248 0.978 0 N-CA-C 107.006 -1.479 . . . . 54.810000000000002 107.006 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.73 -21.92 50.76 Favored 'Trans proline' 0 C--O 1.236 0.388 0 O-C-N 122.341 0.653 . . . . 51.469999999999999 113.309 -170.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 p -67.35 -20.87 65.64 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 111.696 0.258 . . . . 47.479999999999997 111.696 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.23 -21.48 65.19 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.216 0.45 . . . . 47.200000000000003 112.216 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.4 -18.38 55.09 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.734 0.642 . . . . 44.780000000000001 112.734 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -60.76 143.26 54.85 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.193 -1.41 . . . . 53.200000000000003 107.193 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 71.61 11.02 6.48 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.637 1.717 . . . . 54.659999999999997 115.637 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.33 120.21 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.808 0 N-CA-C 103.413 -2.81 . . . . 59.619999999999997 103.413 172.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' NE2' ' CA ' ' A' ' 41' ' ' GLN . 3.2 mm100 -69.64 144.38 52.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.222 1.193 . . . . 81.799999999999997 114.222 -174.691 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.44 -40.15 64.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.846 -1.07 . . . . 86.390000000000001 111.432 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -51.61 -12.74 0.19 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.416 1.636 . . . . 105.81999999999999 115.416 -177.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.85 86.27 0.93 Allowed Glycine 0 C--O 1.249 1.078 0 N-CA-C 108.464 -1.854 . . . . 112.29000000000001 108.464 -168.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo . . . . . 0 C--N 1.355 0.881 1 C-N-CA 127.02 5.147 . . . . 115.83 114.974 -161.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 113.971 1.1 . . . . 107.36 113.971 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.31 116.89 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.691 0.626 . . . . 152.66999999999999 112.691 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -176.33 6.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.352 1.061 . . . . 144.87 112.626 -176.556 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -84.39 131.96 34.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.644 -0.502 . . . . 126.53 109.644 166.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.87 -17.69 29.78 Favored Glycine 0 N--CA 1.471 1.009 0 CA-C-N 116.362 -0.381 . . . . 113.12 113.996 179.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 165.63 51.29 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.218 0.607 . . . . 101.17 109.66 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -53.56 136.67 64.82 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 124.52 3.48 . . . . 85.969999999999999 115.393 171.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -129.19 -169.73 2.15 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.66 -0.7 . . . . 66.189999999999998 111.503 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 tp -56.96 -35.94 69.71 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.155 0.798 . . . . 54.420000000000002 113.155 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -65.19 -37.34 87.04 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 118.937 -1.105 . . . . 49.960000000000001 112.207 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.3 m -63.45 -38.09 89.8 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.562 0.696 . . . . 50.719999999999999 109.396 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -70.71 -51.42 27.61 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.341 -0.845 . . . . 63.210000000000001 111.091 -177.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -45.33 -50.21 12.26 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.524 -0.762 . . . . 50.079999999999998 110.02 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 m -56.13 -43.86 78.62 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.664 -0.647 . . . . 51.390000000000001 112.649 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' MSE . . . . . . . . . . . . . 50.4 ttp -62.61 -47.13 85.11 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.132 -0.322 . . . . 59.170000000000002 110.132 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.5 mt -52.57 -48.0 66.48 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.869 -0.605 . . . . 52.149999999999999 110.046 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -62.6 -36.36 82.47 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 121.738 0.78 . . . . 63.539999999999999 111.135 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.8 t -71.69 -39.48 70.2 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.489 -0.778 . . . . 61.390000000000001 111.467 -173.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.86 -41.44 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.487 -0.56 . . . . 58.770000000000003 109.487 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.11 -36.63 73.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.192 0.812 . . . . 64.359999999999999 113.192 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.87 -33.57 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.048 0.452 . . . . 72.180000000000007 110.13 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -78.75 -37.09 42.09 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 112.758 0.651 . . . . 88.120000000000005 112.758 179.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.2 -36.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 122.482 0.313 . . . . 71.75 110.236 173.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -78.45 -20.99 49.81 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.946 1.091 . . . . 81.859999999999999 113.946 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -92.28 16.35 11.79 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 123.19 0.307 . . . . 95.569999999999993 111.351 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.82 10.66 46.56 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 124.159 0.912 . . . . 86.439999999999998 114.456 -175.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.4 mt 71.14 83.55 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.91 1.284 . . . . 94.569999999999993 113.572 -176.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.46 119.52 53.56 Favored Pre-proline 0 N--CA 1.473 0.686 0 CA-C-N 116.123 -0.489 . . . . 112.58 111.497 175.443 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.2 2.6 . . . . 114.03 114.301 178.209 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.528 0 N-CA-C 113.141 0.793 . . . . 126.75 113.141 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -89.71 48.95 1.65 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.506 0.928 . . . . 137.69 113.506 -175.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.7 pt -83.1 -5.48 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 106.946 -1.501 . . . . 105.54000000000001 106.946 159.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.1 t -66.87 -24.39 66.12 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.538 -0.755 . . . . 102.34999999999999 109.544 171.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -35.84 65.82 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.839 -0.618 . . . . 104.76000000000001 111.386 171.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 24.5 tp10 -56.99 -36.07 69.95 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.442 0.904 . . . . 77.959999999999994 113.442 174.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.6 mt -87.85 -16.4 34.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 114.003 1.112 . . . . 67.150000000000006 114.003 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.27 -8.75 57.16 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.669 -0.813 . . . . 69.390000000000001 111.086 172.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.19 -38.06 78.93 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.265 1.209 . . . . 57.579999999999998 114.265 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -63.28 -42.3 99.09 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.06 -0.656 . . . . 67.709999999999994 111.147 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.31 80.97 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.833 0.453 . . . . 53.920000000000002 111.32 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 63.640000000000001 110.608 176.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.28 -51.27 62.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 108.408 -0.96 . . . . 59.280000000000001 108.408 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -59.18 -44.16 92.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.649 -0.705 . . . . 77.819999999999993 110.877 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.32 -54.39 46.02 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.78 -0.768 . . . . 55.170000000000002 111.09 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -52.41 -57.88 8.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 114.955 1.465 . . . . 54.810000000000002 114.955 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . 0.328 0.1 OUTLIER -62.52 -34.64 77.29 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.716 -1.193 . . . . 69.939999999999998 111.98 -175.225 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 5.5 m -67.53 -39.1 85.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.28 0.474 . . . . 76.180000000000007 112.28 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . 0.306 0.1 OUTLIER -76.94 -30.68 56.16 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 116.963 -1.895 . . . . 62.990000000000002 112.504 -177.741 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.2 mt -54.28 -50.85 66.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.988 0.423 . . . . 63.049999999999997 110.465 166.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -56.38 -42.71 78.3 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.853 -0.795 . . . . 76.709999999999994 108.853 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -73.92 -37.93 64.47 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.163 0.506 . . . . 81.790000000000006 110.389 -173.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.5 mt -63.03 -54.64 30.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 119.424 -0.91 . . . . 59.310000000000002 110.286 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.52 -36.06 75.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.47 0.544 . . . . 60.270000000000003 112.47 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -66.1 -46.57 77.15 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.234 0.54 . . . . 69.120000000000005 110.158 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -58.72 -53.16 61.53 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.474 -0.785 . . . . 66.0 109.584 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.68 -32.73 74.45 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 114.11 1.152 . . . . 57.390000000000001 114.11 -175.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 55.7 m -57.11 -45.36 83.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.876 0.471 . . . . 62.659999999999997 109.843 172.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -64.15 -41.04 97.33 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 121.268 -0.173 . . . . 84.799999999999997 110.991 176.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -70.16 -45.68 66.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 121.048 -0.261 . . . . 71.709999999999994 111.475 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.49 52.8 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.354 0.501 . . . . 58.579999999999998 112.354 168.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -61.84 -38.12 87.03 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 118.42 -1.312 . . . . 78.180000000000007 111.478 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -69.31 -34.69 75.06 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.505 0.503 . . . . 74.920000000000002 111.355 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.94 -41.99 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.171 -0.611 . . . . 52.789999999999999 110.659 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 91.3 m -62.47 -48.84 77.86 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.768 -0.456 . . . . 55.219999999999999 109.768 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -56.96 -44.12 82.27 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.436 -0.347 . . . . 92.379999999999995 111.49 176.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -47.43 85.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.593 -0.276 . . . . 68.079999999999998 110.278 -176.896 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -59.09 -43.78 91.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.931 0.715 . . . . 58.350000000000001 112.931 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.76 -43.2 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.72 -0.474 . . . . 66.739999999999995 109.72 177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.35 -55.14 35.04 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.897 0.748 . . . . 81.519999999999996 110.312 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' MSE . . . . . . . . . . . . . 35.0 mtp -50.85 -38.96 52.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 114.314 1.227 . . . . 70.719999999999999 114.314 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.6 p -102.53 25.69 8.78 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.334 -0.946 . . . . 72.519999999999996 109.574 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 51.96 32.87 35.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 118.17 2.028 . . . . 87.349999999999994 118.17 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.52 -24.5 56.81 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.083 0.941 . . . . 100.14 112.583 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 110.096 -0.335 . . . . 109.27 110.096 171.59 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 114.549 1.314 . . . . 117.0 114.549 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.71 154.68 47.48 Favored 'Trans proline' 0 C--N 1.362 1.273 0 C-N-CA 123.5 2.8 . . . . 115.3 114.718 -176.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -24.58 64.96 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.208 1.559 . . . . 117.42 115.208 -176.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -97.41 0.61 48.06 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.971 1.1 . . . . 107.96 113.971 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 p -80.32 154.9 27.51 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.378 0.881 . . . . 94.77 113.378 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tp -50.18 -43.77 52.57 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 123.725 0.81 . . . . 88.8 112.971 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -37.57 82.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.78 1.03 . . . . 89.53 113.78 -176.605 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -66.09 -45.17 82.19 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.562 -0.903 . . . . 78.38 108.562 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.1 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.973 0.909 . . . . 72.25 112.189 174.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 31.6 mtp -54.37 -52.04 62.87 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 113.977 1.103 . . . . 73.84 113.977 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.435 2.7 p30 -86.73 -8.33 57.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 114.347 -2.941 . . . . 81.67 116.694 -178.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -43.74 82.62 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 107.96 -1.126 . . . . 86.95 107.96 164.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -60.18 -49.77 76.32 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.606 -0.724 . . . . 61.29 110.853 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -59.78 -35.43 74.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.532 -0.758 . . . . 60.9 111.625 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.28 66.35 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.163 -0.68 . . . . 57.54 109.163 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.67 -40.82 87.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.089 0.471 . . . . 54.01 110.841 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.99 -39.72 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 C-N-CA 119.422 -0.911 . . . . 54.68 110.623 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.791 -0.764 . . . . 85.89 112.264 175.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.97 -41.93 97.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 120.371 -0.532 . . . . 59.87 112.234 172.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MSE . . . . . . . . . . . . . 53.7 ttp -56.18 -43.89 78.85 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.699 0.625 . . . . 56.46 109.766 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.93 -31.01 69.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.132 1.16 . . . . 74.16 114.132 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -67.12 -42.2 84.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.83 -0.804 . . . . 85.12 108.83 175.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -72.08 -44.5 65.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.413 0.894 . . . . 60.8 113.413 -173.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.18 77.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.989 0.899 . . . . 54.13 109.384 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' MSE . . . . . . . . . . . . . 0.9 OUTLIER -69.37 -37.08 77.41 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.135 -0.939 . . . . 84.97 113.029 -172.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.1 mt -121.55 86.97 45.08 Favored Pre-proline 0 C--O 1.248 0.978 0 N-CA-C 107.006 -1.479 . . . . 54.81 107.006 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.73 -21.92 50.76 Favored 'Trans proline' 0 C--O 1.236 0.388 0 O-C-N 122.341 0.653 . . . . 51.47 113.309 -170.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 p -67.35 -20.87 65.64 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 111.696 0.258 . . . . 47.48 111.696 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.23 -21.48 65.19 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.216 0.45 . . . . 47.2 112.216 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.4 -18.38 55.09 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.734 0.642 . . . . 44.78 112.734 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -60.76 143.26 54.85 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.193 -1.41 . . . . 53.2 107.193 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 71.61 11.02 6.48 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.637 1.717 . . . . 54.66 115.637 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.33 120.21 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.808 0 N-CA-C 103.413 -2.81 . . . . 59.62 103.413 172.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . 0.564 ' HA ' ' OE1' ' A' ' 41' ' ' GLN . 6.4 mm-40 -69.64 144.38 52.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.222 1.193 . . . . 81.8 114.222 -174.691 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.44 -40.15 64.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.846 -1.07 . . . . 86.39 111.432 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -51.61 -12.74 0.19 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.416 1.636 . . . . 105.82 115.416 -177.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.85 86.27 0.93 Allowed Glycine 0 C--O 1.249 1.078 0 N-CA-C 108.464 -1.854 . . . . 112.29 108.464 -168.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo . . . . . 0 C--N 1.355 0.881 1 C-N-CA 127.02 5.147 . . . . 115.83 114.974 -161.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 113.971 1.1 . . . . 107.36 113.971 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.31 116.89 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.691 0.626 . . . . 152.67 112.691 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 10.0 pm0 -82.2 -176.33 6.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.352 1.061 . . . . 144.87 112.626 -176.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -84.39 131.96 34.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.644 -0.502 . . . . 126.53 109.644 166.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.87 -17.69 29.78 Favored Glycine 0 N--CA 1.471 1.009 0 CA-C-N 116.362 -0.381 . . . . 113.12 113.996 179.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 165.63 51.29 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.218 0.607 . . . . 101.17 109.66 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -53.56 136.67 64.82 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 124.52 3.48 . . . . 85.97 115.393 171.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -129.19 -169.73 2.15 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.66 -0.7 . . . . 66.19 111.503 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 56' ' ' LEU . 10.3 tp -56.96 -35.94 69.71 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.155 0.798 . . . . 54.42 113.155 178.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -65.19 -37.34 87.04 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 118.937 -1.105 . . . . 49.96 112.207 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.3 m -63.45 -38.09 89.8 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.562 0.696 . . . . 50.72 109.396 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . 0.477 ' HE1' ' HG3' ' A' ' 110' ' ' GLU . 38.3 t80 -70.71 -51.42 27.61 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.341 -0.845 . . . . 63.21 111.091 -177.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -45.33 -50.21 12.26 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.524 -0.762 . . . . 50.08 110.02 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 m -56.13 -43.86 78.62 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.664 -0.647 . . . . 51.39 112.649 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' MSE . . . . . . . . . . . . . 50.4 ttp -62.61 -47.13 85.11 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.132 -0.322 . . . . 59.17 110.132 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.5 mt -52.57 -48.0 66.48 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.869 -0.605 . . . . 52.15 110.046 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -62.6 -36.36 82.47 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 121.738 0.78 . . . . 63.54 111.135 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.8 t -71.69 -39.48 70.2 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.489 -0.778 . . . . 61.39 111.467 -173.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.86 -41.44 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.487 -0.56 . . . . 58.77 109.487 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.11 -36.63 73.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.192 0.812 . . . . 64.36 113.192 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.87 -33.57 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.048 0.452 . . . . 72.18 110.13 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 74' ' ' LEU . 57.7 mt-10 -78.75 -37.09 42.09 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 112.758 0.651 . . . . 88.12 112.758 179.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.2 -36.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 122.482 0.313 . . . . 71.75 110.236 173.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -78.45 -20.99 49.81 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.946 1.091 . . . . 81.86 113.946 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -92.28 16.35 11.79 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 123.19 0.307 . . . . 95.57 111.351 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.82 10.66 46.56 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 124.159 0.912 . . . . 86.44 114.456 -175.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . 0.873 HD13 ' HB2' ' A' ' 121' ' ' PHE . 24.4 mt 71.14 83.55 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.91 1.284 . . . . 94.57 113.572 -176.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.46 119.52 53.56 Favored Pre-proline 0 N--CA 1.473 0.686 0 CA-C-N 116.123 -0.489 . . . . 112.58 111.497 175.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.2 2.6 . . . . 114.03 114.301 178.209 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.528 0 N-CA-C 113.141 0.793 . . . . 126.75 113.141 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . 0.653 ' HB3' ' OE1' ' A' ' 109' ' ' GLU . 84.4 mtt180 -89.71 48.95 1.65 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.506 0.928 . . . . 137.69 113.506 -175.24 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.7 pt -83.1 -5.48 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 106.946 -1.501 . . . . 105.54 106.946 159.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.1 t -66.87 -24.39 66.12 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.538 -0.755 . . . . 102.35 109.544 171.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' GLU . . . . . 0.653 ' OE1' ' HB3' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -73.45 -35.84 65.82 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.839 -0.618 . . . . 104.76 111.386 171.077 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . 0.477 ' HG3' ' HE1' ' A' ' 59' ' ' TYR . 24.5 tp10 -56.99 -36.07 69.95 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.442 0.904 . . . . 77.96 113.442 174.094 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.6 mt -87.85 -16.4 34.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 114.003 1.112 . . . . 67.15 114.003 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.27 -8.75 57.16 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.669 -0.813 . . . . 69.39 111.086 172.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.19 -38.06 78.93 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.265 1.209 . . . . 57.58 114.265 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -63.28 -42.3 99.09 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.06 -0.656 . . . . 67.71 111.147 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.31 80.97 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.833 0.453 . . . . 53.92 111.32 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 63.64 110.608 176.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.28 -51.27 62.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 108.408 -0.96 . . . . 59.28 108.408 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -59.18 -44.16 92.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.649 -0.705 . . . . 77.82 110.877 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.32 -54.39 46.02 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.78 -0.768 . . . . 55.17 111.09 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -52.41 -57.88 8.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 114.955 1.465 . . . . 54.81 114.955 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' PHE . . . . . 0.873 ' HB2' HD13 ' A' ' 74' ' ' LEU 0.328 0.1 OUTLIER -62.52 -34.64 77.29 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.716 -1.193 . . . . 69.94 111.98 -175.225 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 5.5 m -67.53 -39.1 85.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.28 0.474 . . . . 76.18 112.28 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . 0.306 0.1 OUTLIER -76.94 -30.68 56.16 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 116.963 -1.895 . . . . 62.99 112.504 -177.741 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.2 mt -54.28 -50.85 66.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.988 0.423 . . . . 63.05 110.465 166.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -56.38 -42.71 78.3 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.853 -0.795 . . . . 76.71 108.853 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -73.92 -37.93 64.47 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.163 0.506 . . . . 81.79 110.389 -173.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.5 mt -63.03 -54.64 30.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 119.424 -0.91 . . . . 59.31 110.286 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.52 -36.06 75.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.47 0.544 . . . . 60.27 112.47 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -66.1 -46.57 77.15 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.234 0.54 . . . . 69.12 110.158 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -58.72 -53.16 61.53 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.474 -0.785 . . . . 66.0 109.584 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.68 -32.73 74.45 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 114.11 1.152 . . . . 57.39 114.11 -175.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 55.7 m -57.11 -45.36 83.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.876 0.471 . . . . 62.66 109.843 172.63 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 6.4 ttm180 -64.15 -41.04 97.33 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 121.268 -0.173 . . . . 84.8 110.991 176.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -70.16 -45.68 66.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 121.048 -0.261 . . . . 71.71 111.475 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.49 52.8 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.354 0.501 . . . . 58.58 112.354 168.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -61.84 -38.12 87.03 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 118.42 -1.312 . . . . 78.18 111.478 175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -69.31 -34.69 75.06 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.505 0.503 . . . . 74.92 111.355 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.94 -41.99 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.171 -0.611 . . . . 52.79 110.659 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 91.3 m -62.47 -48.84 77.86 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.768 -0.456 . . . . 55.22 109.768 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ARG . . . . . 0.4 ' NH2' HG11 ' A' ' 149' ' ' VAL . 2.5 tpt180 -56.96 -44.12 82.27 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.436 -0.347 . . . . 92.38 111.49 176.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -47.43 85.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.593 -0.276 . . . . 68.08 110.278 -176.896 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -59.09 -43.78 91.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.931 0.715 . . . . 58.35 112.931 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.76 -43.2 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.72 -0.474 . . . . 66.74 109.72 177.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.35 -55.14 35.04 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.897 0.748 . . . . 81.52 110.312 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' MSE . . . . . . . . . . . . . 35.0 mtp -50.85 -38.96 52.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 114.314 1.227 . . . . 70.72 114.314 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.6 p -102.53 25.69 8.78 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.334 -0.946 . . . . 72.52 109.574 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 51.96 32.87 35.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 118.17 2.028 . . . . 87.35 118.17 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.52 -24.5 56.81 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.083 0.941 . . . . 100.14 112.583 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' VAL . . . . . 0.4 HG11 ' NH2' ' A' ' 140' ' ' ARG . 1.6 t . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 110.096 -0.335 . . . . 109.27 110.096 171.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.499 2.0 0 N-CA-C 114.549 1.314 . . . . 117.0 114.549 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.71 154.68 47.48 Favored 'Trans proline' 0 C--N 1.362 1.273 0 C-N-CA 123.5 2.8 . . . . 115.3 114.718 -176.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -24.58 64.96 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.208 1.559 . . . . 117.42 115.208 -176.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -97.41 0.61 48.06 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.971 1.1 . . . . 107.95999999999999 113.971 -175.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 p -80.32 154.9 27.51 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.378 0.881 . . . . 94.769999999999996 113.378 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.0 tp -50.18 -43.77 52.57 Favored 'General case' 0 C--O 1.241 0.658 0 C-N-CA 123.725 0.81 . . . . 88.799999999999997 112.971 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.59 -37.57 82.77 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 113.78 1.03 . . . . 89.530000000000001 113.78 -176.605 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.2 m -66.09 -45.17 82.19 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 108.562 -0.903 . . . . 78.379999999999995 108.562 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -53.64 -44.1 56.74 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.973 0.909 . . . . 72.25 112.189 174.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' MSE . . . . . . . . . . . . . 31.6 mtp -54.37 -52.04 62.87 Favored 'General case' 0 C--O 1.244 0.781 0 N-CA-C 113.977 1.103 . . . . 73.840000000000003 113.977 176.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . 0.435 2.7 p30 -86.73 -8.33 57.48 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 114.347 -2.941 . . . . 81.670000000000002 116.694 -178.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.9 -43.74 82.62 Favored 'General case' 0 C--O 1.24 0.56 0 N-CA-C 107.96 -1.126 . . . . 86.950000000000003 107.96 164.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -60.18 -49.77 76.32 Favored 'General case' 0 C--O 1.245 0.854 0 CA-C-N 115.606 -0.724 . . . . 61.289999999999999 110.853 176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -59.78 -35.43 74.62 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.532 -0.758 . . . . 60.899999999999999 111.625 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.09 -42.28 66.35 Favored 'General case' 0 C--O 1.216 -0.668 0 N-CA-C 109.163 -0.68 . . . . 57.539999999999999 109.163 -179.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.67 -40.82 87.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.525 0 CA-C-O 121.089 0.471 . . . . 54.009999999999998 110.841 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 54.3 t -68.99 -39.72 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 C-N-CA 119.422 -0.911 . . . . 54.68 110.623 -179.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.9 mtt-85 -62.7 -40.83 98.38 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 119.791 -0.764 . . . . 85.890000000000001 112.264 175.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -60.97 -41.93 97.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 120.371 -0.532 . . . . 59.869999999999997 112.234 172.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MSE . . . . . . . . . . . . . 53.7 ttp -56.18 -43.89 78.85 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 123.699 0.625 . . . . 56.460000000000001 109.766 176.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -68.93 -31.01 69.6 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.132 1.16 . . . . 74.159999999999997 114.132 179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -67.12 -42.2 84.89 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 108.83 -0.804 . . . . 85.120000000000005 108.83 175.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 37.7 t -72.08 -44.5 65.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.84 0 N-CA-C 113.413 0.894 . . . . 60.799999999999997 113.413 -173.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.18 77.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.989 0.899 . . . . 54.130000000000003 109.384 -176.306 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' MSE . . . . . . . . . . . . . 0.9 OUTLIER -69.37 -37.08 77.41 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 115.135 -0.939 . . . . 84.969999999999999 113.029 -172.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 13.1 mt -121.55 86.97 45.08 Favored Pre-proline 0 C--O 1.248 0.978 0 N-CA-C 107.006 -1.479 . . . . 54.810000000000002 107.006 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -66.73 -21.92 50.76 Favored 'Trans proline' 0 C--O 1.236 0.388 0 O-C-N 122.341 0.653 . . . . 51.469999999999999 113.309 -170.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.2 p -67.35 -20.87 65.64 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 111.696 0.258 . . . . 47.479999999999997 111.696 -179.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.23 -21.48 65.19 Favored 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 112.216 0.45 . . . . 47.200000000000003 112.216 172.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.2 mt -78.4 -18.38 55.09 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.734 0.642 . . . . 44.780000000000001 112.734 176.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -60.76 143.26 54.85 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 107.193 -1.41 . . . . 53.200000000000003 107.193 177.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 71.61 11.02 6.48 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 115.637 1.717 . . . . 54.659999999999997 115.637 174.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.33 120.21 45.4 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.808 0 N-CA-C 103.413 -2.81 . . . . 59.619999999999997 103.413 172.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.695 ' NE2' ' HA ' ' A' ' 41' ' ' GLN . 3.2 mm100 -69.64 144.38 52.94 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 114.222 1.193 . . . . 81.799999999999997 114.222 -174.691 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.8 mt -73.44 -40.15 64.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.846 -1.07 . . . . 86.390000000000001 111.432 178.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 m -51.61 -12.74 0.19 Allowed 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 115.416 1.636 . . . . 105.81999999999999 115.416 -177.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.85 86.27 0.93 Allowed Glycine 0 C--O 1.249 1.078 0 N-CA-C 108.464 -1.854 . . . . 112.29000000000001 108.464 -168.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo . . . . . 0 C--N 1.355 0.881 1 C-N-CA 127.02 5.147 . . . . 115.83 114.974 -161.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.9 p . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 113.971 1.1 . . . . 107.36 113.971 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.31 116.89 43.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 112.691 0.626 . . . . 152.66999999999999 112.691 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -176.33 6.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.352 1.061 . . . . 144.87 112.626 -176.556 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -84.39 131.96 34.63 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 109.644 -0.502 . . . . 126.53 109.644 166.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.87 -17.69 29.78 Favored Glycine 0 N--CA 1.471 1.009 0 CA-C-N 116.362 -0.381 . . . . 113.12 113.996 179.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.57 165.63 51.29 Favored Pre-proline 0 CA--C 1.532 0.254 0 C-N-CA 123.218 0.607 . . . . 101.17 109.66 173.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -53.56 136.67 64.82 Favored 'Trans proline' 0 CA--C 1.537 0.628 0 C-N-CA 124.52 3.48 . . . . 85.969999999999999 115.393 171.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.3 p30 -129.19 -169.73 2.15 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.66 -0.7 . . . . 66.189999999999998 111.503 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 56' ' ' LEU . 10.3 tp -56.96 -35.94 69.71 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.155 0.798 . . . . 54.420000000000002 113.155 178.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -65.19 -37.34 87.04 Favored 'General case' 0 C--O 1.245 0.866 0 C-N-CA 118.937 -1.105 . . . . 49.960000000000001 112.207 177.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.3 m -63.45 -38.09 89.8 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.562 0.696 . . . . 50.719999999999999 109.396 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.477 ' HE1' ' HG3' ' A' ' 110' ' ' GLU . 38.3 t80 -70.71 -51.42 27.61 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 115.341 -0.845 . . . . 63.210000000000001 111.091 -177.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -45.33 -50.21 12.26 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 115.524 -0.762 . . . . 50.079999999999998 110.02 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 m -56.13 -43.86 78.62 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 121.664 -0.647 . . . . 51.390000000000001 112.649 177.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' MSE . . . . . . . . . . . . . 50.4 ttp -62.61 -47.13 85.11 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 110.132 -0.322 . . . . 59.170000000000002 110.132 -179.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 82.5 mt -52.57 -48.0 66.48 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.869 -0.605 . . . . 52.149999999999999 110.046 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.3 mtpt -62.6 -36.36 82.47 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-O 121.738 0.78 . . . . 63.539999999999999 111.135 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 42.8 t -71.69 -39.48 70.2 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.489 -0.778 . . . . 61.390000000000001 111.467 -173.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 62.9 mt -66.86 -41.44 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 N-CA-C 109.487 -0.56 . . . . 58.770000000000003 109.487 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.2 t -58.11 -36.63 73.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 113.192 0.812 . . . . 64.359999999999999 113.192 176.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.2 t -61.87 -33.57 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.048 0.452 . . . . 72.180000000000007 110.13 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.454 ' O ' HD23 ' A' ' 74' ' ' LEU . 57.7 mt-10 -78.75 -37.09 42.09 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 112.758 0.651 . . . . 88.120000000000005 112.758 179.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 50.1 t -61.2 -36.45 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 122.482 0.313 . . . . 71.75 110.236 173.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -78.45 -20.99 49.81 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.946 1.091 . . . . 81.859999999999999 113.946 -175.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -92.28 16.35 11.79 Favored 'General case' 0 C--N 1.331 -0.197 0 O-C-N 123.19 0.307 . . . . 95.569999999999993 111.351 178.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 64.82 10.66 46.56 Favored Glycine 0 CA--C 1.526 0.72 0 O-C-N 124.159 0.912 . . . . 86.439999999999998 114.456 -175.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.873 HD13 ' HB2' ' A' ' 121' ' ' PHE . 24.4 mt 71.14 83.55 0.14 Allowed 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.91 1.284 . . . . 94.569999999999993 113.572 -176.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -104.46 119.52 53.56 Favored Pre-proline 0 N--CA 1.473 0.686 0 CA-C-N 116.123 -0.489 . . . . 112.58 111.497 175.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo . . . . . 0 C--N 1.354 0.839 0 C-N-CA 123.2 2.6 . . . . 114.03 114.301 178.209 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.239 0.528 0 N-CA-C 113.141 0.793 . . . . 126.75 113.141 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.653 ' HB3' ' OE1' ' A' ' 109' ' ' GLU . 84.4 mtt180 -89.71 48.95 1.65 Allowed 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.506 0.928 . . . . 137.69 113.506 -175.24 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 5.7 pt -83.1 -5.48 9.19 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 N-CA-C 106.946 -1.501 . . . . 105.54000000000001 106.946 159.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.1 t -66.87 -24.39 66.12 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.538 -0.755 . . . . 102.34999999999999 109.544 171.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.653 ' OE1' ' HB3' ' A' ' 106' ' ' ARG . 0.5 OUTLIER -73.45 -35.84 65.82 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.839 -0.618 . . . . 104.76000000000001 111.386 171.077 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.477 ' HG3' ' HE1' ' A' ' 59' ' ' TYR . 24.5 tp10 -56.99 -36.07 69.95 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.442 0.904 . . . . 77.959999999999994 113.442 174.094 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 25.6 mt -87.85 -16.4 34.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 114.003 1.112 . . . . 67.150000000000006 114.003 179.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -73.27 -8.75 57.16 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.669 -0.813 . . . . 69.390000000000001 111.086 172.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.4 mt -59.19 -38.06 78.93 Favored 'General case' 0 CA--C 1.52 -0.196 0 N-CA-C 114.265 1.209 . . . . 57.579999999999998 114.265 -176.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -63.28 -42.3 99.09 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.06 -0.656 . . . . 67.709999999999994 111.147 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.94 -44.31 80.97 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 122.833 0.453 . . . . 53.920000000000002 111.32 179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 80.5 mt-30 -60.9 -48.64 80.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.901 -0.59 . . . . 63.640000000000001 110.608 176.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.28 -51.27 62.84 Favored 'General case' 0 CA--C 1.51 -0.578 0 N-CA-C 108.408 -0.96 . . . . 59.280000000000001 108.408 178.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 36.9 t-80 -59.18 -44.16 92.18 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.649 -0.705 . . . . 77.819999999999993 110.877 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.32 -54.39 46.02 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 119.78 -0.768 . . . . 55.170000000000002 111.09 178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -52.41 -57.88 8.46 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 114.955 1.465 . . . . 54.810000000000002 114.955 174.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.873 ' HB2' HD13 ' A' ' 74' ' ' LEU 0.328 0.1 OUTLIER -62.52 -34.64 77.29 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 118.716 -1.193 . . . . 69.939999999999998 111.98 -175.225 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 5.5 m -67.53 -39.1 85.05 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.28 0.474 . . . . 76.180000000000007 112.28 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . 0.306 0.1 OUTLIER -76.94 -30.68 56.16 Favored 'General case' 0 C--O 1.22 -0.475 0 C-N-CA 116.963 -1.895 . . . . 62.990000000000002 112.504 -177.741 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 8.2 mt -54.28 -50.85 66.32 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.988 0.423 . . . . 63.049999999999997 110.465 166.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 64.7 t-80 -56.38 -42.71 78.3 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.853 -0.795 . . . . 76.709999999999994 108.853 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -73.92 -37.93 64.47 Favored 'General case' 0 CA--C 1.535 0.404 0 CA-C-O 121.163 0.506 . . . . 81.790000000000006 110.389 -173.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 24.5 mt -63.03 -54.64 30.86 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.849 0 C-N-CA 119.424 -0.91 . . . . 59.310000000000002 110.286 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.52 -36.06 75.37 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 112.47 0.544 . . . . 60.270000000000003 112.47 -177.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.5 m -66.1 -46.57 77.15 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.234 0.54 . . . . 69.120000000000005 110.158 179.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -58.72 -53.16 61.53 Favored 'General case' 0 CA--C 1.547 0.851 0 CA-C-N 115.474 -0.785 . . . . 66.0 109.584 176.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.4 mt -65.68 -32.73 74.45 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 114.11 1.152 . . . . 57.390000000000001 114.11 -175.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 55.7 m -57.11 -45.36 83.5 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 122.876 0.471 . . . . 62.659999999999997 109.843 172.63 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.509 ' HA ' HE21 ' A' ' 136' ' ' GLN . 6.4 ttm180 -64.15 -41.04 97.33 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 121.268 -0.173 . . . . 84.799999999999997 110.991 176.055 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -70.16 -45.68 66.24 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 121.048 -0.261 . . . . 71.709999999999994 111.475 -175.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -50.44 -41.49 52.8 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.354 0.501 . . . . 58.579999999999998 112.354 168.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLN . . . . . 0.509 HE21 ' HA ' ' A' ' 133' ' ' ARG . 32.4 mt-30 -61.84 -38.12 87.03 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 118.42 -1.312 . . . . 78.180000000000007 111.478 175.602 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -69.31 -34.69 75.06 Favored 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.505 0.503 . . . . 74.920000000000002 111.355 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.94 -41.99 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 C-N-CA 120.171 -0.611 . . . . 52.789999999999999 110.659 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 91.3 m -62.47 -48.84 77.86 Favored 'General case' 0 C--O 1.219 -0.532 0 N-CA-C 109.768 -0.456 . . . . 55.219999999999999 109.768 179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ARG . . . . . 0.4 ' NH2' HG11 ' A' ' 149' ' ' VAL . 2.5 tpt180 -56.96 -44.12 82.27 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-N 116.436 -0.347 . . . . 92.379999999999995 111.49 176.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -47.43 85.01 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.593 -0.276 . . . . 68.079999999999998 110.278 -176.896 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -59.09 -43.78 91.86 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.931 0.715 . . . . 58.350000000000001 112.931 176.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -59.76 -43.2 94.4 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.72 -0.474 . . . . 66.739999999999995 109.72 177.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -61.35 -55.14 35.04 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 123.897 0.748 . . . . 81.519999999999996 110.312 178.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' MSE . . . . . . . . . . . . . 35.0 mtp -50.85 -38.96 52.17 Favored 'General case' 0 CA--C 1.508 -0.647 0 N-CA-C 114.314 1.227 . . . . 70.719999999999999 114.314 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 80.6 p -102.53 25.69 8.78 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 119.334 -0.946 . . . . 72.519999999999996 109.574 -175.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 51.96 32.87 35.32 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 118.17 2.028 . . . . 87.349999999999994 118.17 175.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -75.52 -24.5 56.81 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.083 0.941 . . . . 100.14 112.583 172.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.4 HG11 ' NH2' ' A' ' 140' ' ' ARG . 1.6 t . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 110.096 -0.335 . . . . 109.27 110.096 171.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_