data_2g13_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 2g13 _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 ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.501 2.104 0 N-CA-C 114.434 1.272 . . . . 45.159999999999997 114.434 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -116.05 -1.73 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.669 2.47 . . . . 41.520000000000003 117.669 -174.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.62 146.98 46.2 Favored Glycine 0 N--CA 1.466 0.685 0 CA-C-N 117.951 0.341 . . . . 29.780000000000001 112.731 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.5 pt -109.26 5.41 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 116.879 2.177 . . . . 19.780000000000001 116.879 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 157.24 20.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 109.806 -0.442 . . . . 14.029999999999999 109.806 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 tp -125.57 129.73 50.27 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 109.37 -0.604 . . . . 13.609999999999999 109.37 -175.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 141.03 16.73 Favored Glycine 0 N--CA 1.473 1.137 0 N-CA-C 107.537 -2.225 . . . . 13.9 107.537 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 49.1 mtm -146.35 133.58 20.55 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 118.166 0.983 . . . . 27.600000000000001 111.733 -175.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -130.13 134.9 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 113.796 -1.547 . . . . 14.92 107.118 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -121.67 137.0 54.93 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 105.719 -1.956 . . . . 20.399999999999999 105.719 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.9 p -132.58 162.06 32.25 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 124.013 0.82 . . . . 13.49 110.245 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -91.02 93.63 9.27 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 107.689 -1.226 . . . . 22.34 107.689 171.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.87 161.28 17.52 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 110.707 -0.957 . . . . 11.94 110.707 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 tp -79.36 -31.13 42.88 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.332 0.864 . . . . 13.99 113.332 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 66.7 t -63.08 -55.44 37.13 Favored Pre-proline 0 N--CA 1.473 0.717 0 C-N-CA 118.523 -1.271 . . . . 12.26 112.242 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -56.61 -28.61 75.62 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 122.622 0.801 . . . . 13.94 113.122 175.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.72 89.81 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.287 0.477 . . . . 16.140000000000001 112.287 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.2 -36.81 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 120.869 0.366 . . . . 12.199999999999999 110.921 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -61.42 -47.78 84.18 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 110.408 -0.219 . . . . 29.670000000000002 110.408 172.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.75 -53.4 52.72 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.063 -0.517 . . . . 13.550000000000001 109.858 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -44.4 76.0 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.499 0.499 . . . . 12.390000000000001 112.269 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.61 -47.79 74.49 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 111.515 0.191 . . . . 16.32 111.515 178.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.58 95.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.524 0.935 . . . . 12.15 113.524 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.6 mtm -63.71 -46.71 84.23 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.683 0.393 . . . . 21.870000000000001 110.957 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.9 p -73.41 -26.18 60.86 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.782 -0.767 . . . . 12.199999999999999 112.298 -175.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.43 -23.25 37.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.818 0.303 . . . . 12.869999999999999 111.818 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.83 -27.9 44.31 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 116.318 1.97 . . . . 14.73 116.318 -176.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.23 169.03 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.478 -0.564 . . . . 12.17 109.478 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -77.73 90.08 4.01 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.264 0.554 . . . . 23.149999999999999 109.755 -176.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.42 155.1 41.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.224 -0.898 . . . . 14.67 109.258 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.79 132.96 52.17 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.339 -1.726 . . . . 42.340000000000003 106.339 -177.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -84.1 111.6 19.47 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 108.307 -0.997 . . . . 16.48 108.307 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.8 -18.19 7.35 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.241 0 CA-C-O 121.92 0.866 . . . . 12.92 113.093 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.23 152.04 22.23 Favored Glycine 0 N--CA 1.424 -2.111 0 C-N-CA 114.168 -3.872 . . . . 17.199999999999999 112.645 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -136.28 120.6 17.97 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 102.042 -3.318 . . . . 17.140000000000001 102.042 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -123.6 126.93 47.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 119.077 -1.049 . . . . 28.780000000000001 113.575 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -85.75 114.84 23.02 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 104.461 -2.422 . . . . 14.69 104.461 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.2 t -89.69 -26.93 5.27 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 114.912 -1.04 . . . . 13.99 112.659 -168.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.14 151.92 16.28 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 105.904 -2.878 . . . . 9.1999999999999993 105.904 -174.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.59 -4.81 49.38 Favored Glycine 0 N--CA 1.48 1.584 0 CA-C-N 117.295 0.547 . . . . 13.130000000000001 114.291 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.17 -8.19 35.61 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 114.837 0.695 . . . . 11.83 114.837 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -72.62 137.54 46.19 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.275 1.038 . . . . 12.33 110.558 177.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.91 138.18 54.16 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 N-CA-C 105.804 -1.924 . . . . 11.99 105.804 171.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -126.76 129.64 48.76 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.322 -0.854 . . . . 14.51 108.867 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -109.89 136.76 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 108.164 -1.05 . . . . 16.82 108.164 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mp -123.86 131.86 53.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 114.884 -1.053 . . . . 22.960000000000001 111.616 -175.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.59 146.69 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 114.527 -1.215 . . . . 14.4 110.552 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -120.98 144.76 48.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.821 -1.081 . . . . 16.210000000000001 109.369 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.9 -171.15 43.66 Favored Glycine 0 C--O 1.237 0.34 0 N-CA-C 109.859 -1.297 . . . . 11.32 109.859 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.84 160.5 32.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.512 -1.292 . . . . 18.859999999999999 107.512 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -53.08 -55.8 21.13 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 123.951 0.901 . . . . 16.609999999999999 112.293 -175.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.74 97.07 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-O 119.529 -0.595 . . . . 11.779999999999999 111.656 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.16 -49.98 75.03 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 117.595 0.698 . . . . 11.390000000000001 111.453 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.78 -37.26 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 115.519 -0.764 . . . . 12.75 109.448 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.6 m-20 -60.05 -50.91 71.87 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.428 0.632 . . . . 18.809999999999999 110.677 176.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.2 98.8 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.029 -0.532 . . . . 13.51 111.037 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.35 -54.52 45.89 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 112.644 0.609 . . . . 13.57 112.644 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.38 -41.67 88.17 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 108.936 -0.764 . . . . 14.84 108.936 -176.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -61.91 -41.08 97.5 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.709 -0.796 . . . . 42.490000000000002 111.263 -179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.62 65.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.795 -0.639 . . . . 16.379999999999999 111.64 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.37 -43.23 95.84 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 111.653 -0.579 . . . . 18.609999999999999 111.653 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.27 90.03 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.498 0.555 . . . . 18.5 112.498 179.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.25 -36.57 82.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.429 0.529 . . . . 41.700000000000003 112.429 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.42 -48.25 42.7 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.02 -0.991 . . . . 18.789999999999999 113.642 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.12 -18.46 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.426 1.639 . . . . 16.75 115.426 -170.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -63.66 -16.99 62.45 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 113.632 0.975 . . . . 30.91 113.632 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -95.05 -2.82 49.43 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.652 0.612 . . . . 34.82 112.652 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.69 122.66 64.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 112.865 0.691 . . . . 17.280000000000001 112.865 -172.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.27 -133.16 50.55 Favored Glycine 0 C--O 1.256 1.519 0 N-CA-C 114.677 0.631 . . . . 12.890000000000001 114.677 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -82.07 -5.65 58.56 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.771 0.656 . . . . 18.129999999999999 112.771 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.3 -157.45 29.17 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 122.057 3.583 . . . . 11.34 122.057 167.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.9 tp -100.44 136.46 40.29 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 113.645 -1.278 . . . . 7.8499999999999996 112.706 -169.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.09 -50.37 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 124.755 1.284 . . . . 8.7300000000000004 108.666 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.13 144.59 22.27 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.856 1.058 . . . . 15.5 113.856 -175.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.15 121.95 20.99 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 105.417 -2.068 . . . . 13.73 105.417 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -149.41 149.39 30.74 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 119.265 -0.974 . . . . 16.440000000000001 111.999 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.3 135.4 63.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.133 -0.94 . . . . 23.620000000000001 109.699 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.6 mt -123.6 109.7 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 104.468 -2.419 . . . . 16.699999999999999 104.468 166.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.13 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.348 1.24 . . . . 12.66 114.348 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -149.09 100.81 3.09 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.585 -0.894 . . . . 15.73 108.585 172.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -73.02 149.51 8.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 N-CA-C 109.216 -0.661 . . . . 17.530000000000001 109.216 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -61.14 146.17 48.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.946 -1.131 . . . . 12.58 107.946 177.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.5 p -49.18 -31.94 9.38 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.059 1.133 . . . . 15.35 114.059 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.58 -36.59 84.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.113 0.783 . . . . 22.370000000000001 113.113 177.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.49 -24.94 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 112.827 0.677 . . . . 14.09 112.827 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -54.66 -29.91 53.94 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.305 0.483 . . . . 26.280000000000001 112.305 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -60.12 -24.73 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.64 1.348 . . . . 23.73 114.64 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 pt -107.43 -3.9 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 113.61 0.967 . . . . 19.649999999999999 113.61 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -92.04 134.79 28.07 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 120.084 -0.647 . . . . 19.710000000000001 110.168 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.51 137.69 47.45 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.037 2.491 . . . . 21.030000000000001 110.967 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -81.81 -29.0 32.86 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.219 1.192 . . . . 28.469999999999999 114.219 175.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.1 149.67 13.1 Favored Pre-proline 0 N--CA 1.475 0.78 0 N-CA-C 105.818 -1.919 . . . . 16.57 105.818 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -80.69 171.77 14.11 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 114.715 -3.056 . . . . 30.59 111.771 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -112.86 129.2 56.54 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.917 -0.771 . . . . 52.380000000000003 108.917 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 0 CA-C-N 115.447 -0.797 . . . . 48.740000000000002 111.02 179.991 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4770 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4771 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4772 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4773 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4774 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4775 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4776 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4777 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4778 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4779 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4780 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4781 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4782 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4783 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4784 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4785 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4786 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4787 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4788 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4789 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4790 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4791 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4792 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4793 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4794 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4795 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4796 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4797 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4798 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4799 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 4800 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.501 2.104 0 N-CA-C 114.434 1.272 . . . . 45.16 114.434 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -116.05 -1.73 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.669 2.47 . . . . 41.52 117.669 -174.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.62 146.98 46.2 Favored Glycine 0 N--CA 1.466 0.685 0 CA-C-N 117.951 0.341 . . . . 29.78 112.731 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.5 pt -109.26 5.41 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 116.879 2.177 . . . . 19.78 116.879 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 157.24 20.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 109.806 -0.442 . . . . 14.03 109.806 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 tp -125.57 129.73 50.27 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 109.37 -0.604 . . . . 13.61 109.37 -175.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 141.03 16.73 Favored Glycine 0 N--CA 1.473 1.137 0 N-CA-C 107.537 -2.225 . . . . 13.9 107.537 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' MET . . . . . 0.42 ' HG2' HD23 ' A' ' 49' ' ' LEU . 49.1 mtm -146.35 133.58 20.55 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 118.166 0.983 . . . . 27.6 111.733 -175.988 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -130.13 134.9 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 113.796 -1.547 . . . . 14.92 107.118 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -121.67 137.0 54.93 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 105.719 -1.956 . . . . 20.4 105.719 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.9 p -132.58 162.06 32.25 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 124.013 0.82 . . . . 13.49 110.245 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -91.02 93.63 9.27 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 107.689 -1.226 . . . . 22.34 107.689 171.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.87 161.28 17.52 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 110.707 -0.957 . . . . 11.94 110.707 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 tp -79.36 -31.13 42.88 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.332 0.864 . . . . 13.99 113.332 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 66.7 t -63.08 -55.44 37.13 Favored Pre-proline 0 N--CA 1.473 0.717 0 C-N-CA 118.523 -1.271 . . . . 12.26 112.242 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -56.61 -28.61 75.62 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 122.622 0.801 . . . . 13.94 113.122 175.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.72 89.81 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.287 0.477 . . . . 16.14 112.287 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.2 -36.81 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 120.869 0.366 . . . . 12.2 110.921 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -61.42 -47.78 84.18 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 110.408 -0.219 . . . . 29.67 110.408 172.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.75 -53.4 52.72 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.063 -0.517 . . . . 13.55 109.858 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -44.4 76.0 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.499 0.499 . . . . 12.39 112.269 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.61 -47.79 74.49 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 111.515 0.191 . . . . 16.32 111.515 178.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.58 95.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.524 0.935 . . . . 12.15 113.524 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.6 mtm -63.71 -46.71 84.23 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.683 0.393 . . . . 21.87 110.957 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.9 p -73.41 -26.18 60.86 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.782 -0.767 . . . . 12.2 112.298 -175.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.43 -23.25 37.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.818 0.303 . . . . 12.87 111.818 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.83 -27.9 44.31 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 116.318 1.97 . . . . 14.73 116.318 -176.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.23 169.03 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.478 -0.564 . . . . 12.17 109.478 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -77.73 90.08 4.01 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.264 0.554 . . . . 23.15 109.755 -176.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.42 155.1 41.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.224 -0.898 . . . . 14.67 109.258 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.79 132.96 52.17 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.339 -1.726 . . . . 42.34 106.339 -177.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -84.1 111.6 19.47 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 108.307 -0.997 . . . . 16.48 108.307 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.8 -18.19 7.35 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.241 0 CA-C-O 121.92 0.866 . . . . 12.92 113.093 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.23 152.04 22.23 Favored Glycine 0 N--CA 1.424 -2.111 0 C-N-CA 114.168 -3.872 . . . . 17.2 112.645 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -136.28 120.6 17.97 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 102.042 -3.318 . . . . 17.14 102.042 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -123.6 126.93 47.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 119.077 -1.049 . . . . 28.78 113.575 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -85.75 114.84 23.02 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 104.461 -2.422 . . . . 14.69 104.461 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 45' ' ' TYR . 61.2 t -89.69 -26.93 5.27 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 114.912 -1.04 . . . . 13.99 112.659 -168.064 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.14 151.92 16.28 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 105.904 -2.878 . . . . 9.2 105.904 -174.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.59 -4.81 49.38 Favored Glycine 0 N--CA 1.48 1.584 0 CA-C-N 117.295 0.547 . . . . 13.13 114.291 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.17 -8.19 35.61 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 114.837 0.695 . . . . 11.83 114.837 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . 0.537 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 29.4 m-85 -72.62 137.54 46.19 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.275 1.038 . . . . 12.33 110.558 177.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.91 138.18 54.16 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 N-CA-C 105.804 -1.924 . . . . 11.99 105.804 171.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -126.76 129.64 48.76 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.322 -0.854 . . . . 14.51 108.867 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -109.89 136.76 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 108.164 -1.05 . . . . 16.82 108.164 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD23 ' HG2' ' A' ' 11' ' ' MET . 2.8 mp -123.86 131.86 53.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 114.884 -1.053 . . . . 22.96 111.616 -175.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.59 146.69 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 114.527 -1.215 . . . . 14.4 110.552 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -120.98 144.76 48.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.821 -1.081 . . . . 16.21 109.369 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.9 -171.15 43.66 Favored Glycine 0 C--O 1.237 0.34 0 N-CA-C 109.859 -1.297 . . . . 11.32 109.859 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.84 160.5 32.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.512 -1.292 . . . . 18.86 107.512 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -53.08 -55.8 21.13 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 123.951 0.901 . . . . 16.61 112.293 -175.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.74 97.07 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-O 119.529 -0.595 . . . . 11.78 111.656 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.16 -49.98 75.03 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 117.595 0.698 . . . . 11.39 111.453 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.78 -37.26 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 115.519 -0.764 . . . . 12.75 109.448 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 62' ' ' ARG . 66.6 m-20 -60.05 -50.91 71.87 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.428 0.632 . . . . 18.81 110.677 176.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.2 98.8 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.029 -0.532 . . . . 13.51 111.037 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.35 -54.52 45.89 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 112.644 0.609 . . . . 13.57 112.644 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.38 -41.67 88.17 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 108.936 -0.764 . . . . 14.84 108.936 -176.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 10.6 mtt180 -61.91 -41.08 97.5 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.709 -0.796 . . . . 42.49 111.263 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.62 65.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.795 -0.639 . . . . 16.38 111.64 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.37 -43.23 95.84 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 111.653 -0.579 . . . . 18.61 111.653 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 69' ' ' GLU . . . -61.95 -46.27 90.03 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.498 0.555 . . . . 18.5 112.498 179.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.25 -36.57 82.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.429 0.529 . . . . 41.7 112.429 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.42 -48.25 42.7 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.02 -0.991 . . . . 18.79 113.642 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.12 -18.46 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.426 1.639 . . . . 16.75 115.426 -170.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.3 pt-20 -63.66 -16.99 62.45 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 113.632 0.975 . . . . 30.91 113.632 178.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -95.05 -2.82 49.43 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.652 0.612 . . . . 34.82 112.652 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.69 122.66 64.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 112.865 0.691 . . . . 17.28 112.865 -172.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.27 -133.16 50.55 Favored Glycine 0 C--O 1.256 1.519 0 N-CA-C 114.677 0.631 . . . . 12.89 114.677 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -82.07 -5.65 58.56 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.771 0.656 . . . . 18.13 112.771 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.3 -157.45 29.17 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 122.057 3.583 . . . . 11.34 122.057 167.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.9 tp -100.44 136.46 40.29 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 113.645 -1.278 . . . . 7.85 112.706 -169.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.09 -50.37 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 124.755 1.284 . . . . 8.73 108.666 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.13 144.59 22.27 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.856 1.058 . . . . 15.5 113.856 -175.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.15 121.95 20.99 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 105.417 -2.068 . . . . 13.73 105.417 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -149.41 149.39 30.74 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 119.265 -0.974 . . . . 16.44 111.999 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.3 135.4 63.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.133 -0.94 . . . . 23.62 109.699 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.6 mt -123.6 109.7 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 104.468 -2.419 . . . . 16.7 104.468 166.54 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.13 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.348 1.24 . . . . 12.66 114.348 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -149.09 100.81 3.09 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.585 -0.894 . . . . 15.73 108.585 172.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -73.02 149.51 8.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 N-CA-C 109.216 -0.661 . . . . 17.53 109.216 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -61.14 146.17 48.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.946 -1.131 . . . . 12.58 107.946 177.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.5 p -49.18 -31.94 9.38 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.059 1.133 . . . . 15.35 114.059 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.58 -36.59 84.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.113 0.783 . . . . 22.37 113.113 177.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.49 -24.94 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 112.827 0.677 . . . . 14.09 112.827 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -54.66 -29.91 53.94 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.305 0.483 . . . . 26.28 112.305 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -60.12 -24.73 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.64 1.348 . . . . 23.73 114.64 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 pt -107.43 -3.9 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 113.61 0.967 . . . . 19.65 113.61 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -92.04 134.79 28.07 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 120.084 -0.647 . . . . 19.71 110.168 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.51 137.69 47.45 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.037 2.491 . . . . 21.03 110.967 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 94' ' ' LYS . 6.4 mptt -81.81 -29.0 32.86 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.219 1.192 . . . . 28.47 114.219 175.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.1 149.67 13.1 Favored Pre-proline 0 N--CA 1.475 0.78 0 N-CA-C 105.818 -1.919 . . . . 16.57 105.818 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -80.69 171.77 14.11 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 114.715 -3.056 . . . . 30.59 111.771 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -112.86 129.2 56.54 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.917 -0.771 . . . . 52.38 108.917 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 0 CA-C-N 115.447 -0.797 . . . . 48.74 111.02 179.991 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4770 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4771 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4772 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4773 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4774 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4775 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4776 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4777 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4778 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4779 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4780 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4781 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4782 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4783 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4784 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4785 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4786 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4787 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4788 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4789 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4790 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4791 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4792 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4793 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4794 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4795 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4796 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4797 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4798 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4799 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 4800 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 N--CA 1.501 2.104 0 N-CA-C 114.434 1.272 . . . . 45.16 114.434 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 81.8 p -116.05 -1.73 12.42 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.669 2.47 . . . . 41.52 117.669 -174.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.62 146.98 46.2 Favored Glycine 0 N--CA 1.466 0.685 0 CA-C-N 117.951 0.341 . . . . 29.78 112.731 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 31.5 pt -109.26 5.41 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 116.879 2.177 . . . . 19.78 116.879 -177.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.38 157.24 20.41 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 109.806 -0.442 . . . . 14.03 109.806 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 47.9 tp -125.57 129.73 50.27 Favored 'General case' 0 C--O 1.243 0.719 0 N-CA-C 109.37 -0.604 . . . . 13.61 109.37 -175.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.3 141.03 16.73 Favored Glycine 0 N--CA 1.473 1.137 0 N-CA-C 107.537 -2.225 . . . . 13.9 107.537 177.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' MET . . . . . 0.42 ' HG2' HD23 ' A' ' 49' ' ' LEU . 49.1 mtm -146.35 133.58 20.55 Favored 'General case' 0 CA--C 1.491 -1.306 0 CA-C-N 118.166 0.983 . . . . 27.6 111.733 -175.988 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.8 mt -130.13 134.9 62.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 CA-C-N 113.796 -1.547 . . . . 14.92 107.118 176.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -121.67 137.0 54.93 Favored 'General case' 0 CA--C 1.495 -1.165 0 N-CA-C 105.719 -1.956 . . . . 20.4 105.719 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 40.9 p -132.58 162.06 32.25 Favored 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 124.013 0.82 . . . . 13.49 110.245 -174.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 54.1 mtt85 -91.02 93.63 9.27 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 107.689 -1.226 . . . . 22.34 107.689 171.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.87 161.28 17.52 Favored Glycine 0 C--O 1.224 -0.505 0 N-CA-C 110.707 -0.957 . . . . 11.94 110.707 179.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.9 tp -79.36 -31.13 42.88 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 113.332 0.864 . . . . 13.99 113.332 -179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 66.7 t -63.08 -55.44 37.13 Favored Pre-proline 0 N--CA 1.473 0.717 0 C-N-CA 118.523 -1.271 . . . . 12.26 112.242 -173.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -56.61 -28.61 75.62 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 122.622 0.801 . . . . 13.94 113.122 175.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.72 89.81 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 112.287 0.477 . . . . 16.14 112.287 177.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 83.6 mt -70.2 -36.81 69.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.897 0 CA-C-O 120.869 0.366 . . . . 12.2 110.921 177.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -61.42 -47.78 84.18 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 110.408 -0.219 . . . . 29.67 110.408 172.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.75 -53.4 52.72 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.063 -0.517 . . . . 13.55 109.858 175.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.37 -44.4 76.0 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.499 0.499 . . . . 12.39 112.269 -179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -65.61 -47.79 74.49 Favored 'General case' 0 C--O 1.208 -1.117 0 N-CA-C 111.515 0.191 . . . . 16.32 111.515 178.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.58 95.9 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.524 0.935 . . . . 12.15 113.524 179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.6 mtm -63.71 -46.71 84.23 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 122.683 0.393 . . . . 21.87 110.957 178.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.9 p -73.41 -26.18 60.86 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 119.782 -0.767 . . . . 12.2 112.298 -175.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -81.43 -23.25 37.65 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 111.818 0.303 . . . . 12.87 111.818 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.83 -27.9 44.31 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 116.318 1.97 . . . . 14.73 116.318 -176.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -165.23 169.03 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.478 -0.564 . . . . 12.17 109.478 -179.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -77.73 90.08 4.01 Favored 'General case' 0 C--O 1.245 0.86 0 CA-C-O 121.264 0.554 . . . . 23.15 109.755 -176.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.6 m -129.42 155.1 41.04 Favored 'Isoleucine or valine' 0 C--O 1.237 0.408 0 CA-C-N 115.224 -0.898 . . . . 14.67 109.258 177.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -106.79 132.96 52.17 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.339 -1.726 . . . . 42.34 106.339 -177.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -84.1 111.6 19.47 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 108.307 -0.997 . . . . 16.48 108.307 175.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 32.7 m -106.8 -18.19 7.35 Favored 'Isoleucine or valine' 0 C--O 1.186 -2.241 0 CA-C-O 121.92 0.866 . . . . 12.92 113.093 -176.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -162.23 152.04 22.23 Favored Glycine 0 N--CA 1.424 -2.111 0 C-N-CA 114.168 -3.872 . . . . 17.2 112.645 178.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -136.28 120.6 17.97 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 102.042 -3.318 . . . . 17.14 102.042 173.013 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -123.6 126.93 47.52 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 119.077 -1.049 . . . . 28.78 113.575 -172.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -85.75 114.84 23.02 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 104.461 -2.422 . . . . 14.69 104.461 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.537 ' HB ' ' HB2' ' A' ' 45' ' ' TYR . 61.2 t -89.69 -26.93 5.27 Favored 'Isoleucine or valine' 0 C--O 1.246 0.894 0 CA-C-N 114.912 -1.04 . . . . 13.99 112.659 -168.064 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 108.14 151.92 16.28 Favored Glycine 0 C--N 1.342 0.901 0 N-CA-C 105.904 -2.878 . . . . 9.2 105.904 -174.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.59 -4.81 49.38 Favored Glycine 0 N--CA 1.48 1.584 0 CA-C-N 117.295 0.547 . . . . 13.13 114.291 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 108.17 -8.19 35.61 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 114.837 0.695 . . . . 11.83 114.837 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.537 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 29.4 m-85 -72.62 137.54 46.19 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 118.275 1.038 . . . . 12.33 110.558 177.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 46.6 t -130.91 138.18 54.16 Favored 'Isoleucine or valine' 0 C--O 1.253 1.283 0 N-CA-C 105.804 -1.924 . . . . 11.99 105.804 171.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 6.4 m -126.76 129.64 48.76 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-N 115.322 -0.854 . . . . 14.51 108.867 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.4 m -109.89 136.76 44.86 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.351 0 N-CA-C 108.164 -1.05 . . . . 16.82 108.164 175.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.42 HD23 ' HG2' ' A' ' 11' ' ' MET . 2.8 mp -123.86 131.86 53.66 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 114.884 -1.053 . . . . 22.96 111.616 -175.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.59 146.69 27.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 114.527 -1.215 . . . . 14.4 110.552 178.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 50.5 mmm-85 -120.98 144.76 48.33 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.821 -1.081 . . . . 16.21 109.369 174.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 177.9 -171.15 43.66 Favored Glycine 0 C--O 1.237 0.34 0 N-CA-C 109.859 -1.297 . . . . 11.32 109.859 176.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -70.84 160.5 32.66 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.512 -1.292 . . . . 18.86 107.512 174.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 92.3 m -53.08 -55.8 21.13 Favored 'General case' 0 C--O 1.219 -0.513 0 C-N-CA 123.951 0.901 . . . . 16.61 112.293 -175.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.79 -40.74 97.07 Favored Glycine 0 C--O 1.22 -0.761 0 CA-C-O 119.529 -0.595 . . . . 11.78 111.656 -179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.16 -49.98 75.03 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 117.595 0.698 . . . . 11.39 111.453 178.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 39.4 t -63.78 -37.26 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-N 115.519 -0.764 . . . . 12.75 109.448 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 62' ' ' ARG . 66.6 m-20 -60.05 -50.91 71.87 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.428 0.632 . . . . 18.81 110.677 176.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.21 -43.2 98.8 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.029 -0.532 . . . . 13.51 111.037 -178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.35 -54.52 45.89 Favored 'General case' 0 C--O 1.243 0.727 0 N-CA-C 112.644 0.609 . . . . 13.57 112.644 179.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.38 -41.67 88.17 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.077 0 N-CA-C 108.936 -0.764 . . . . 14.84 108.936 -176.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 58' ' ' ASN . 10.6 mtt180 -61.91 -41.08 97.5 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 119.709 -0.796 . . . . 42.49 111.263 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.79 -48.62 65.78 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 115.795 -0.639 . . . . 16.38 111.64 -179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.37 -43.23 95.84 Favored Glycine 0 C--N 1.335 0.516 0 N-CA-C 111.653 -0.579 . . . . 18.61 111.653 178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.588 ' O ' ' HG2' ' A' ' 69' ' ' GLU . . . -61.95 -46.27 90.03 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.498 0.555 . . . . 18.5 112.498 179.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -62.25 -36.57 82.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 112.429 0.529 . . . . 41.7 112.429 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.42 -48.25 42.7 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 115.02 -0.991 . . . . 18.79 113.642 -178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 p -84.12 -18.46 36.75 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 115.426 1.639 . . . . 16.75 115.426 -170.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.588 ' HG2' ' O ' ' A' ' 65' ' ' ALA . 3.3 pt-20 -63.66 -16.99 62.45 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 113.632 0.975 . . . . 30.91 113.632 178.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.6 mtp180 -95.05 -2.82 49.43 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 112.652 0.612 . . . . 34.82 112.652 179.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.2 t -109.69 122.66 64.66 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 112.865 0.691 . . . . 17.28 112.865 -172.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 60.27 -133.16 50.55 Favored Glycine 0 C--O 1.256 1.519 0 N-CA-C 114.677 0.631 . . . . 12.89 114.677 177.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -82.07 -5.65 58.56 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 112.771 0.656 . . . . 18.13 112.771 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 87.3 -157.45 29.17 Favored Glycine 0 C--O 1.247 0.908 0 N-CA-C 122.057 3.583 . . . . 11.34 122.057 167.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 51.9 tp -100.44 136.46 40.29 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-N 113.645 -1.278 . . . . 7.85 112.706 -169.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 85.4 t -104.09 -50.37 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 O-C-N 124.755 1.284 . . . . 8.73 108.666 177.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.13 144.59 22.27 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 113.856 1.058 . . . . 15.5 113.856 -175.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.15 121.95 20.99 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 105.417 -2.068 . . . . 13.73 105.417 176.419 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 64.2 t60 -149.41 149.39 30.74 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 119.265 -0.974 . . . . 16.44 111.999 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.7 mt -126.3 135.4 63.92 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-N 115.133 -0.94 . . . . 23.62 109.699 177.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.6 mt -123.6 109.7 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.444 0 N-CA-C 104.468 -2.419 . . . . 16.7 104.468 166.54 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.01 -27.94 66.13 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 114.348 1.24 . . . . 12.66 114.348 -174.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.0 ttt180 -149.09 100.81 3.09 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 108.585 -0.894 . . . . 15.73 108.585 172.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 27.5 m -73.02 149.51 8.41 Favored 'Isoleucine or valine' 0 C--O 1.246 0.896 0 N-CA-C 109.216 -0.661 . . . . 17.53 109.216 178.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -61.14 146.17 48.47 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.946 -1.131 . . . . 12.58 107.946 177.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 98.5 p -49.18 -31.94 9.38 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.059 1.133 . . . . 15.35 114.059 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -63.58 -36.59 84.31 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 113.113 0.783 . . . . 22.37 113.113 177.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.49 -24.94 34.0 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 N-CA-C 112.827 0.677 . . . . 14.09 112.827 -178.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -54.66 -29.91 53.94 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.305 0.483 . . . . 26.28 112.305 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -60.12 -24.73 64.9 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.64 1.348 . . . . 23.73 114.64 178.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.3 pt -107.43 -3.9 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 N-CA-C 113.61 0.967 . . . . 19.65 113.61 -179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 98.7 mt -92.04 134.79 28.07 Favored Pre-proline 0 C--O 1.238 0.481 0 C-N-CA 120.084 -0.647 . . . . 19.71 110.168 -178.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -66.51 137.69 47.45 Favored 'Trans proline' 0 N--CA 1.454 -0.803 0 C-N-CA 123.037 2.491 . . . . 21.03 110.967 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 94' ' ' LYS . 6.4 mptt -81.81 -29.0 32.86 Favored 'General case' 0 CA--C 1.567 1.602 0 N-CA-C 114.219 1.192 . . . . 28.47 114.219 175.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -161.1 149.67 13.1 Favored Pre-proline 0 N--CA 1.475 0.78 0 N-CA-C 105.818 -1.919 . . . . 16.57 105.818 178.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -80.69 171.77 14.11 Favored 'Trans proline' 0 C--O 1.239 0.57 0 C-N-CA 114.715 -3.056 . . . . 30.59 111.771 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -112.86 129.2 56.54 Favored 'General case' 0 C--O 1.24 0.577 0 N-CA-C 108.917 -0.771 . . . . 52.38 108.917 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.285 0 CA-C-N 115.447 -0.797 . . . . 48.74 111.02 179.991 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4770 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4771 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4772 ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4773 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4774 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4775 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4776 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4777 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4778 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4779 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4780 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4781 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4782 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4783 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4784 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4785 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4786 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4787 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4788 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4789 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4790 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4791 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4792 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4793 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4794 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4795 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4796 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4797 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4798 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4799 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 4800 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_