data_2rta_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 2rta _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 ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 105.344 -2.095 . . . . 47.549999999999997 105.344 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' H ' HD11 ' A' ' 17' ' ' ILE . 43.0 tt0 31.56 -88.74 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 119.337 0.971 . . . . 42.960000000000001 112.541 -179.708 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -48.11 35.33 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 109.714 -0.476 . . . . 42.380000000000003 109.714 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -21.63 72.43 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.642 -1.266 . . . . 30.25 113.662 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . 0.414 HD11 ' H ' ' A' ' 14' ' ' GLU . 96.4 mt -82.79 -37.72 14.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.235 -0.586 . . . . 24.57 110.091 -179.821 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.8 m -56.86 131.85 50.73 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 124.729 1.268 . . . . 23.100000000000001 111.153 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.11 -166.34 24.96 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.23 -1.462 . . . . 17.609999999999999 111.727 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -100.39 135.27 42.09 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 125.589 1.405 . . . . 17.370000000000001 111.888 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . 0.469 ' CE2' ' HE3' ' A' ' 132' ' ' LYS . 93.7 m95 -128.09 148.05 50.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 125.122 1.514 . . . . 16.0 107.817 -179.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -128.26 145.49 51.03 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 116.851 -1.547 . . . . 20.109999999999999 111.522 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 130' ' ' PHE . 55.3 p30 -114.57 177.75 4.53 Favored 'General case' 0 N--CA 1.525 3.288 0 C-N-CA 117.032 -1.867 . . . . 30.32 109.415 179.126 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.14 -28.49 69.15 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.119 1.526 . . . . 38.939999999999998 115.119 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 10.3 24.54 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.045 -1.034 . . . . 36.109999999999999 113.479 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.63 15.69 57.89 Favored Glycine 0 N--CA 1.501 3.012 0 C-N-CA 118.494 -1.812 . . . . 28.420000000000002 115.493 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.0 m -93.05 159.62 15.22 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 120.92 2.36 . . . . 25.129999999999999 105.656 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . 0.529 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 31.6 m -138.1 147.51 44.06 Favored 'General case' 0 C--N 1.28 -2.415 0 CA-C-O 117.658 -1.163 . . . . 31.32 110.101 179.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -144.89 145.28 31.51 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 104.884 -2.265 . . . . 27.129999999999999 104.884 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.46 132.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 1 N-CA-C 99.991 -4.078 . . . . 32.539999999999999 99.991 -179.928 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -140.22 153.75 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 O-C-N 125.554 1.784 . . . . 21.510000000000002 111.393 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 m -123.93 125.75 45.16 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 102.434 -3.173 . . . . 26.649999999999999 102.434 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.67 120.58 40.27 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 102.242 -3.244 . . . . 26.780000000000001 102.242 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.87 154.13 28.98 Favored Glycine 0 C--N 1.291 -1.932 0 CA-C-N 114.203 -1.362 . . . . 28.07 110.093 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.18 -36.64 42.21 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 117.376 -1.297 . . . . 35.770000000000003 112.279 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -101.79 44.09 1.03 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 119.197 3.036 . . . . 29.879999999999999 119.197 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.73 88.92 Favored Glycine 0 CA--C 1.47 -2.734 0 N-CA-C 118.352 2.101 . . . . 22.68 118.352 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.28 152.04 22.22 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 116.939 -1.904 . . . . 18.43 112.481 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -129.41 122.52 29.57 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 104.41 -2.441 . . . . 17.530000000000001 104.41 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 p -135.69 149.59 49.3 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 105.029 -2.212 . . . . 26.350000000000001 105.029 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.39 -157.38 28.59 Favored Glycine 0 C--N 1.292 -1.908 0 C-N-CA 118.57 -1.776 . . . . 13.5 111.693 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -138.63 148.38 44.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 125.673 1.455 . . . . 26.649999999999999 108.792 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -119.29 134.35 55.26 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 126.498 2.374 . . . . 21.649999999999999 105.559 -179.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -123.15 122.08 37.54 Favored 'General case' 0 C--N 1.303 -1.438 1 N-CA-C 97.888 -4.856 . . . . 35.630000000000003 97.888 179.604 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . 0.518 ' HG ' ' HB3' ' A' ' 50' ' ' ALA . 7.8 t -93.67 171.04 9.14 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 122.772 1.272 . . . . 36.100000000000001 113.881 -178.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.89 -30.35 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 111.621 -2.536 . . . . 36.460000000000001 107.473 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.13 164.77 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 112.866 0.691 . . . . 33.25 112.866 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.0 -165.27 24.14 Favored Glycine 0 N--CA 1.486 2.009 0 O-C-N 126.021 2.075 . . . . 32.899999999999999 114.93 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . 0.629 ' HB3' ' O2 ' ' A' ' 154' ' ' SO4 . 63.6 t30 -97.6 57.72 1.39 Allowed 'General case' 0 C--N 1.299 -1.601 1 N-CA-C 99.512 -4.255 . . . . 35.659999999999997 99.512 179.746 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . 0.518 ' HB3' ' HG ' ' A' ' 45' ' ' SER . . . -125.17 153.18 43.46 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.53 -1.668 . . . . 33.810000000000002 106.665 -179.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 52' ' ' SER . 9.3 tt0 -162.24 104.0 1.12 Allowed 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.737 -1.209 . . . . 41.689999999999998 107.737 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 1.7 t 94.89 -153.93 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 123.655 1.693 . . . . 42.539999999999999 111.451 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 53' ' ' ARG . 44.8 mtt180 -95.73 140.15 30.94 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.492 -2.14 . . . . 34.950000000000003 115.572 -178.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -126.68 149.38 49.58 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 127.218 2.824 . . . . 17.359999999999999 108.228 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.26 141.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-O 118.314 -0.851 . . . . 17.530000000000001 111.124 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -128.3 148.32 50.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 104.541 -2.392 . . . . 21.609999999999999 104.541 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -145.57 144.01 30.24 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.527 -2.397 . . . . 18.829999999999998 104.527 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.82 -167.27 26.18 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.289 -1.434 . . . . 11.69 111.75 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -144.1 156.42 44.35 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 124.357 0.681 . . . . 17.469999999999999 110.103 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -141.72 171.31 14.24 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 103.694 -2.706 . . . . 25.73 103.694 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . 0.425 ' O ' ' HD3' ' A' ' 64' ' ' PRO . 52.7 t0 -87.72 110.12 20.21 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.198 -1.038 . . . . 18.75 108.198 -179.274 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 t -83.34 18.93 1.63 Allowed 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 114.559 -1.201 . . . . 32.460000000000001 110.751 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.73 69.14 4.07 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-N 116.004 -0.544 . . . . 35.439999999999998 110.342 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 61' ' ' ASP . 86.9 Cg_endo -68.33 174.48 8.12 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 121.963 1.775 . . . . 50.969999999999999 107.664 154.524 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.66 165.33 23.77 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 124.343 1.027 . . . . 58.229999999999997 110.939 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.01 30.17 2.82 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.761 1.393 . . . . 60.619999999999997 114.761 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -117.07 -178.01 3.34 Favored 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 119.726 1.148 . . . . 55.43 109.931 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.9 53.18 4.06 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 124.21 0.943 . . . . 44.939999999999998 115.352 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.0 165.97 10.71 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.732 -0.84 . . . . 34.07 108.732 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.44 167.07 30.96 Favored Glycine 0 CA--C 1.547 2.09 0 N-CA-C 103.977 -3.649 . . . . 24.649999999999999 103.977 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.2 m -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 105.594 -2.002 . . . . 22.48 105.594 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.73 141.38 46.35 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 123.655 0.597 . . . . 15.890000000000001 110.402 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.9 171.08 20.92 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 113.803 -1.544 . . . . 15.09 110.643 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.06 154.89 26.02 Favored Glycine 0 C--N 1.295 -1.742 0 N-CA-C 109.316 -1.514 . . . . 12.91 109.316 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 31.0 p90 -152.72 162.79 40.8 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 107.302 -1.37 . . . . 14.140000000000001 107.302 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.4 m -127.76 146.62 50.53 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.358 -1.746 . . . . 13.890000000000001 111.79 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.93 124.42 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 103.557 -2.757 . . . . 15.67 103.557 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.95 128.38 43.86 Favored 'General case' 0 N--CA 1.529 3.497 1 N-CA-C 96.179 -5.489 . . . . 14.210000000000001 96.179 178.006 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -84.28 60.31 5.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 116.2 1.926 . . . . 19.879999999999999 116.2 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HG2' ' HZ1' ' A' ' 80' ' ' LYS . 53.6 tttm -135.84 129.92 33.13 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 112.153 -2.294 . . . . 38.710000000000001 109.461 179.57 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -151.05 -167.31 2.78 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 102.997 -2.964 . . . . 18.629999999999999 102.997 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.97 1.01 16.45 Favored 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 117.747 2.499 . . . . 38.619999999999997 117.747 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -124.58 -18.06 5.79 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-O 116.793 -1.575 . . . . 52.670000000000002 112.083 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . 0.588 ' HE ' ' C ' ' A' ' 49' ' ' ASN . 7.4 ttt85 -149.81 147.48 28.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 125.625 1.828 . . . . 28.25 112.711 -178.625 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.46 95.21 2.89 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 102.24 -3.244 . . . . 21.84 102.24 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.1 -2.55 58.43 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 115.082 1.512 . . . . 20.27 115.082 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m80 54.11 48.3 21.3 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 121.62 0.724 . . . . 22.079999999999998 109.989 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.6 p -157.93 165.3 35.54 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.486 -1.234 . . . . 17.859999999999999 111.096 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.72 147.82 30.34 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.94 -1.504 . . . . 14.68 106.94 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.9 m -120.23 140.82 50.62 Favored 'General case' 0 CA--C 1.578 2.023 0 O-C-N 124.75 1.281 . . . . 14.34 110.77 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 p -123.95 141.05 52.39 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 102.434 -3.173 . . . . 15.52 102.434 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -118.28 135.03 54.53 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 104.03 -2.581 . . . . 13.300000000000001 104.03 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 t -127.74 133.53 49.52 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 103.895 -2.632 . . . . 16.120000000000001 103.895 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.81 -156.52 18.28 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 118.433 -1.842 . . . . 15.960000000000001 111.525 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -143.32 152.18 41.34 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.333 1.063 . . . . 21.050000000000001 111.525 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -99.53 135.79 40.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.286 -2.234 . . . . 23.559999999999999 106.215 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.51 123.66 63.69 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 N-CA-C 100.844 -3.761 . . . . 32.43 100.844 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.08 -166.46 30.22 Favored Glycine 0 N--CA 1.505 3.251 0 C-N-CA 119.873 -1.156 . . . . 34.719999999999999 111.974 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.96 -167.95 15.49 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 118.8 -1.667 . . . . 31.690000000000001 110.95 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.72 -59.73 1.83 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 126.575 1.985 . . . . 30.579999999999998 109.319 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.37 78.49 1.23 Allowed 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 112.53 -2.123 . . . . 34.049999999999997 110.838 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.79 147.29 50.61 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 108.803 -3.817 . . . . 27.960000000000001 105.991 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 103' ' ' ARG . 14.4 ptt-85 -159.58 163.1 35.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.732 -0.667 . . . . 33.609999999999999 110.503 179.23 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 50.3 mt -126.95 116.55 45.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 1 N-CA-C 100.05 -4.056 . . . . 15.800000000000001 100.05 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -101.19 129.01 47.05 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 103.825 -2.658 . . . . 31.16 103.825 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.7 p -140.54 165.34 27.73 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 114.938 1.459 . . . . 14.51 114.938 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLN . . . . . 0.415 ' HA ' ' HA ' ' A' ' 127' ' ' HIS . 0.2 OUTLIER -128.22 146.41 50.74 Favored 'General case' 0 C--N 1.302 -1.483 1 N-CA-C 95.668 -5.679 . . . . 22.170000000000002 95.668 176.875 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . 0.408 ' CZ2' ' HA3' ' A' ' 126' ' ' GLY . 45.6 p-90 -135.38 159.15 42.49 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.948 0.88 . . . . 15.58 111.21 -179.721 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.2 mt -129.03 127.97 42.67 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 105.11 -2.181 . . . . 16.199999999999999 105.11 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -118.52 116.72 27.23 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 104.668 -2.345 . . . . 22.440000000000001 104.668 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 79.0 m -111.87 136.25 51.42 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 106.842 -1.54 . . . . 14.33 106.842 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -109.91 146.98 34.25 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 105.514 -2.032 . . . . 30.399999999999999 105.514 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.95 127.75 10.48 Favored Glycine 0 N--CA 1.502 3.08 0 N-CA-C 105.611 -2.995 . . . . 22.66 105.611 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.8 p -130.46 176.42 8.17 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 117.744 0.772 . . . . 22.539999999999999 109.962 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.5 p -85.69 168.46 14.35 Favored 'General case' 0 CA--C 1.559 1.313 1 N-CA-C 98.916 -4.476 . . . . 27.0 98.916 178.158 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.46 -29.78 70.77 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.08 -0.648 . . . . 27.100000000000001 112.444 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.51 74.54 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.097 -1.041 . . . . 23.68 111.715 -179.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.85 12.97 36.13 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 115.225 1.565 . . . . 28.059999999999999 115.225 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.45 -27.93 67.91 Favored 'General case' 0 C--N 1.275 -2.673 0 C-N-CA 118.945 -1.102 . . . . 24.100000000000001 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -65.9 -19.3 65.82 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.999 -0.68 . . . . 36.369999999999997 112.832 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -117.24 33.51 5.58 Favored 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 120.121 -0.632 . . . . 38.399999999999999 109.562 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.8 p -93.11 -15.57 25.9 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 116.948 2.203 . . . . 19.699999999999999 116.948 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 29.0 m -118.9 126.43 51.78 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 117.807 2.521 . . . . 14.4 117.807 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.3 148.86 24.95 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 106.049 -1.834 . . . . 17.510000000000002 106.049 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.2 p -125.61 146.37 31.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 106.436 -1.69 . . . . 13.390000000000001 106.436 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . 0.408 ' HA3' ' CZ2' ' A' ' 108' ' ' TRP . . . -162.75 -171.94 29.59 Favored Glycine 0 C--N 1.297 -1.591 0 O-C-N 124.559 1.162 . . . . 11.4 110.361 179.337 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HIS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 107' ' ' GLN . 21.2 p80 -142.87 154.15 43.85 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.326 -1.361 . . . . 29.530000000000001 107.326 179.277 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.31 143.43 29.13 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.175 -1.375 . . . . 32.700000000000003 109.973 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 47.3 m -122.69 128.52 50.68 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 102.392 -3.188 . . . . 24.399999999999999 102.392 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . 0.445 ' HB3' ' HB3' ' A' ' 21' ' ' TRP . 95.1 m-85 -112.41 143.14 44.04 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 124.871 1.357 . . . . 17.41 109.672 179.883 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.2 p -130.65 167.26 19.05 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.618 -1.252 . . . . 22.23 107.618 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . 0.642 ' NZ ' ' O ' ' A' ' 195' ' ' HOH . 3.4 mmpt? -84.71 -13.02 52.59 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.894 1.371 . . . . 35.960000000000001 112.553 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . 0.271 17.8 t . . . . . 0 C--N 1.288 -2.076 0 O-C-N 126.132 2.145 . . . . 39.079999999999998 106.657 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' SO4 . . . . . 0.672 ' O3 ' ' O ' ' A' ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . 0.672 ' O ' ' O3 ' ' A' ' 154' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' HOH . . . . . 0.642 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 105.344 -2.095 . . . . 47.55 105.344 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 31.56 -88.74 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 119.337 0.971 . . . . 42.96 112.541 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -48.11 35.33 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 109.714 -0.476 . . . . 42.38 109.714 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -21.63 72.43 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.642 -1.266 . . . . 30.03 113.662 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.79 -37.72 14.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.235 -0.586 . . . . 24.15 110.091 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.8 m -56.86 131.85 50.73 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 124.729 1.268 . . . . 22.06 111.153 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.11 -166.34 24.96 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.23 -1.462 . . . . 17.61 111.727 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -100.39 135.27 42.09 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 125.589 1.405 . . . . 16.97 111.888 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -128.09 148.05 50.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 125.122 1.514 . . . . 16.0 107.817 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -128.26 145.49 51.03 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 116.851 -1.547 . . . . 20.11 111.522 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.3 p30 -114.57 177.75 4.53 Favored 'General case' 0 N--CA 1.525 3.288 0 C-N-CA 117.032 -1.867 . . . . 29.9 109.415 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.14 -28.49 69.15 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.119 1.526 . . . . 38.94 115.119 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 10.3 24.54 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.045 -1.034 . . . . 36.0 113.479 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.63 15.69 57.89 Favored Glycine 0 N--CA 1.501 3.012 0 C-N-CA 118.494 -1.812 . . . . 28.42 115.493 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.0 m -93.05 159.62 15.22 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 120.92 2.36 . . . . 24.95 105.656 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 31.6 m -138.1 147.51 44.06 Favored 'General case' 0 C--N 1.28 -2.415 0 CA-C-O 117.658 -1.163 . . . . 31.32 110.101 179.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -144.89 145.28 31.51 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 104.884 -2.265 . . . . 26.53 104.884 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.46 132.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 1 N-CA-C 99.991 -4.078 . . . . 32.54 99.991 -179.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -140.22 153.75 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 O-C-N 125.554 1.784 . . . . 21.51 111.393 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 m -123.93 125.75 45.16 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 102.434 -3.173 . . . . 26.43 102.434 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.67 120.58 40.27 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 102.242 -3.244 . . . . 26.78 102.242 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.87 154.13 28.98 Favored Glycine 0 C--N 1.291 -1.932 0 CA-C-N 114.203 -1.362 . . . . 28.07 110.093 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.18 -36.64 42.21 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 117.376 -1.297 . . . . 35.77 112.279 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -101.79 44.09 1.03 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 119.197 3.036 . . . . 29.44 119.197 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.73 88.92 Favored Glycine 0 CA--C 1.47 -2.734 0 N-CA-C 118.352 2.101 . . . . 21.7 118.352 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.28 152.04 22.22 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 116.939 -1.904 . . . . 18.43 112.481 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -129.41 122.52 29.57 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 104.41 -2.441 . . . . 17.51 104.41 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 p -135.69 149.59 49.3 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 105.029 -2.212 . . . . 26.35 105.029 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.39 -157.38 28.59 Favored Glycine 0 C--N 1.292 -1.908 0 C-N-CA 118.57 -1.776 . . . . 12.69 111.693 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -138.63 148.38 44.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 125.673 1.455 . . . . 26.65 108.792 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -119.29 134.35 55.26 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 126.498 2.374 . . . . 21.65 105.559 -179.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -123.15 122.08 37.54 Favored 'General case' 0 C--N 1.303 -1.438 1 N-CA-C 97.888 -4.856 . . . . 35.63 97.888 179.604 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -93.67 171.04 9.14 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 122.772 1.272 . . . . 36.1 113.881 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.89 -30.35 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 111.621 -2.536 . . . . 36.46 107.473 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.13 164.77 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 112.866 0.691 . . . . 33.25 112.866 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.0 -165.27 24.14 Favored Glycine 0 N--CA 1.486 2.009 0 O-C-N 126.021 2.075 . . . . 32.33 114.93 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . 0.557 ' HB3' ' O2 ' ' A' ' 154' ' ' SO4 . 63.6 t30 -97.6 57.72 1.39 Allowed 'General case' 0 C--N 1.299 -1.601 1 N-CA-C 99.512 -4.255 . . . . 35.66 99.512 179.746 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.17 153.18 43.46 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.53 -1.668 . . . . 33.66 106.665 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 52' ' ' SER . 9.3 tt0 -162.24 104.0 1.12 Allowed 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.737 -1.209 . . . . 41.69 107.737 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 1.7 t 94.89 -153.93 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 123.655 1.693 . . . . 42.54 111.451 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -95.73 140.15 30.94 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.492 -2.14 . . . . 34.95 115.572 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -126.68 149.38 49.58 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 127.218 2.824 . . . . 17.36 108.228 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.26 141.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-O 118.314 -0.851 . . . . 17.53 111.124 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -128.3 148.32 50.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 104.541 -2.392 . . . . 21.61 104.541 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -145.57 144.01 30.24 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.527 -2.397 . . . . 18.83 104.527 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.82 -167.27 26.18 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.289 -1.434 . . . . 11.69 111.75 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -144.1 156.42 44.35 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 124.357 0.681 . . . . 17.47 110.103 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -141.72 171.31 14.24 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 103.694 -2.706 . . . . 25.73 103.694 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -87.72 110.12 20.21 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.198 -1.038 . . . . 20.14 108.198 -179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 t -83.34 18.93 1.63 Allowed 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 114.559 -1.201 . . . . 32.46 110.751 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.73 69.14 4.07 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-N 116.004 -0.544 . . . . 35.44 110.342 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -68.33 174.48 8.12 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 121.963 1.775 . . . . 50.97 107.664 154.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.66 165.33 23.77 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 124.343 1.027 . . . . 58.23 110.939 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.01 30.17 2.82 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.761 1.393 . . . . 59.67 114.761 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -117.07 -178.01 3.34 Favored 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 119.726 1.148 . . . . 55.43 109.931 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.9 53.18 4.06 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 124.21 0.943 . . . . 44.68 115.352 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.0 165.97 10.71 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.732 -0.84 . . . . 34.05 108.732 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.44 167.07 30.96 Favored Glycine 0 CA--C 1.547 2.09 0 N-CA-C 103.977 -3.649 . . . . 24.15 103.977 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.2 m -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 105.594 -2.002 . . . . 22.48 105.594 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.73 141.38 46.35 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 123.655 0.597 . . . . 14.95 110.402 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.9 171.08 20.92 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 113.803 -1.544 . . . . 17.14 110.643 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.06 154.89 26.02 Favored Glycine 0 C--N 1.295 -1.742 0 N-CA-C 109.316 -1.514 . . . . 11.48 109.316 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 31.0 p90 -152.72 162.79 40.8 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 107.302 -1.37 . . . . 14.14 107.302 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.4 m -127.76 146.62 50.53 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.358 -1.746 . . . . 13.89 111.79 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.93 124.42 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 103.557 -2.757 . . . . 15.28 103.557 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.95 128.38 43.86 Favored 'General case' 0 N--CA 1.529 3.497 1 N-CA-C 96.179 -5.489 . . . . 13.44 96.179 178.006 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -84.28 60.31 5.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 116.2 1.926 . . . . 19.6 116.2 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -135.84 129.92 33.13 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 112.153 -2.294 . . . . 38.71 109.461 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -151.05 -167.31 2.78 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 102.997 -2.964 . . . . 18.42 102.997 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.97 1.01 16.45 Favored 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 117.747 2.499 . . . . 38.62 117.747 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -124.58 -18.06 5.79 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-O 116.793 -1.575 . . . . 52.67 112.083 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 49' ' ' ASN . 7.4 ttt85 -149.81 147.48 28.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 125.625 1.828 . . . . 28.25 112.711 -178.625 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.46 95.21 2.89 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 102.24 -3.244 . . . . 21.3 102.24 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.1 -2.55 58.43 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 115.082 1.512 . . . . 18.86 115.082 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m80 54.11 48.3 21.3 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 121.62 0.724 . . . . 22.97 109.989 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.6 p -157.93 165.3 35.54 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.486 -1.234 . . . . 17.86 111.096 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.72 147.82 30.34 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.94 -1.504 . . . . 14.25 106.94 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.9 m -120.23 140.82 50.62 Favored 'General case' 0 CA--C 1.578 2.023 0 O-C-N 124.75 1.281 . . . . 13.92 110.77 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 p -123.95 141.05 52.39 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 102.434 -3.173 . . . . 15.47 102.434 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -118.28 135.03 54.53 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 104.03 -2.581 . . . . 13.3 104.03 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 t -127.74 133.53 49.52 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 103.895 -2.632 . . . . 16.12 103.895 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.81 -156.52 18.28 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 118.433 -1.842 . . . . 15.96 111.525 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -143.32 152.18 41.34 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.333 1.063 . . . . 20.68 111.525 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -99.53 135.79 40.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.286 -2.234 . . . . 23.56 106.215 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.51 123.66 63.69 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 N-CA-C 100.844 -3.761 . . . . 32.43 100.844 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.08 -166.46 30.22 Favored Glycine 0 N--CA 1.505 3.251 0 C-N-CA 119.873 -1.156 . . . . 34.72 111.974 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.96 -167.95 15.49 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 118.8 -1.667 . . . . 31.69 110.95 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.72 -59.73 1.83 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 126.575 1.985 . . . . 30.58 109.319 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.37 78.49 1.23 Allowed 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 112.53 -2.123 . . . . 33.85 110.838 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.79 147.29 50.61 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 108.803 -3.817 . . . . 27.96 105.991 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -159.58 163.1 35.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.732 -0.667 . . . . 33.61 110.503 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 50.3 mt -126.95 116.55 45.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 1 N-CA-C 100.05 -4.056 . . . . 15.8 100.05 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -101.19 129.01 47.05 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 103.825 -2.658 . . . . 31.16 103.825 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.7 p -140.54 165.34 27.73 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 114.938 1.459 . . . . 13.92 114.938 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.22 146.41 50.74 Favored 'General case' 0 C--N 1.302 -1.483 1 N-CA-C 95.668 -5.679 . . . . 22.17 95.668 176.875 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 45.6 p-90 -135.38 159.15 42.49 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.948 0.88 . . . . 15.03 111.21 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.2 mt -129.03 127.97 42.67 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 105.11 -2.181 . . . . 16.2 105.11 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -118.52 116.72 27.23 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 104.668 -2.345 . . . . 22.44 104.668 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 79.0 m -111.87 136.25 51.42 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 106.842 -1.54 . . . . 13.99 106.842 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -109.91 146.98 34.25 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 105.514 -2.032 . . . . 30.4 105.514 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.95 127.75 10.48 Favored Glycine 0 N--CA 1.502 3.08 0 N-CA-C 105.611 -2.995 . . . . 22.66 105.611 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.8 p -130.46 176.42 8.17 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 117.744 0.772 . . . . 22.54 109.962 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.5 p -85.69 168.46 14.35 Favored 'General case' 0 CA--C 1.559 1.313 1 N-CA-C 98.916 -4.476 . . . . 26.06 98.916 178.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.46 -29.78 70.77 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.08 -0.648 . . . . 27.1 112.444 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.51 74.54 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.097 -1.041 . . . . 23.68 111.715 -179.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.85 12.97 36.13 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 115.225 1.565 . . . . 28.06 115.225 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.45 -27.93 67.91 Favored 'General case' 0 C--N 1.275 -2.673 0 C-N-CA 118.945 -1.102 . . . . 24.1 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -65.9 -19.3 65.82 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.999 -0.68 . . . . 36.37 112.832 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -117.24 33.51 5.58 Favored 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 120.121 -0.632 . . . . 38.4 109.562 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.8 p -93.11 -15.57 25.9 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 116.948 2.203 . . . . 19.7 116.948 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 29.0 m -118.9 126.43 51.78 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 117.807 2.521 . . . . 14.4 117.807 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.3 148.86 24.95 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 106.049 -1.834 . . . . 17.51 106.049 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.2 p -125.61 146.37 31.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 106.436 -1.69 . . . . 13.39 106.436 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.75 -171.94 29.59 Favored Glycine 0 C--N 1.297 -1.591 0 O-C-N 124.559 1.162 . . . . 11.4 110.361 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -142.87 154.15 43.85 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.326 -1.361 . . . . 29.53 107.326 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.31 143.43 29.13 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.175 -1.375 . . . . 32.7 109.973 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 47.3 m -122.69 128.52 50.68 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 102.392 -3.188 . . . . 24.4 102.392 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.41 143.14 44.04 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 124.871 1.357 . . . . 17.41 109.672 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.2 p -130.65 167.26 19.05 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.618 -1.252 . . . . 22.23 107.618 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . 0.808 ' NZ ' ' O ' ' A' ' 195' ' ' HOH . 3.4 mmpt? -84.71 -13.02 52.59 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.894 1.371 . . . . 35.96 112.553 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . 0.271 17.8 t . . . . . 0 C--N 1.288 -2.076 0 O-C-N 126.132 2.145 . . . . 39.08 106.657 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 153' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' SO4 . . . . . 0.649 ' O3 ' ' O ' ' A' ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . 0.649 ' O ' ' O3 ' ' A' ' 154' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 195' ' ' HOH . . . . . 0.808 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 105.344 -2.095 . . . . 47.549999999999997 105.344 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 31.56 -88.74 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.268 0 CA-C-N 119.337 0.971 . . . . 42.960000000000001 112.541 -179.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -48.23 -48.11 35.33 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 109.714 -0.476 . . . . 42.380000000000003 109.714 179.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.36 -21.63 72.43 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.642 -1.266 . . . . 30.030000000000001 113.662 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.79 -37.72 14.28 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 C-N-CA 120.235 -0.586 . . . . 24.149999999999999 110.091 -179.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.8 m -56.86 131.85 50.73 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 124.729 1.268 . . . . 22.059999999999999 111.153 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.11 -166.34 24.96 Favored Glycine 0 N--CA 1.489 2.17 0 C-N-CA 119.23 -1.462 . . . . 17.609999999999999 111.727 -179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 26.3 m -100.39 135.27 42.09 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 125.589 1.405 . . . . 16.969999999999999 111.888 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -128.09 148.05 50.55 Favored 'General case' 0 C--N 1.307 -1.271 0 O-C-N 125.122 1.514 . . . . 16.0 107.817 -179.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.9 m-85 -128.26 145.49 51.03 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 116.851 -1.547 . . . . 20.109999999999999 111.522 -178.896 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.3 p30 -114.57 177.75 4.53 Favored 'General case' 0 N--CA 1.525 3.288 0 C-N-CA 117.032 -1.867 . . . . 29.899999999999999 109.415 179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 16.6 mm-40 -61.14 -28.49 69.15 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 115.119 1.526 . . . . 38.939999999999998 115.119 -179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.97 10.3 24.54 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.045 -1.034 . . . . 36.0 113.479 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.63 15.69 57.89 Favored Glycine 0 N--CA 1.501 3.012 0 C-N-CA 118.494 -1.812 . . . . 28.420000000000002 115.493 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.0 m -93.05 159.62 15.22 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 120.92 2.36 . . . . 24.949999999999999 105.656 179.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 31.6 m -138.1 147.51 44.06 Favored 'General case' 0 C--N 1.28 -2.415 0 CA-C-O 117.658 -1.163 . . . . 31.32 110.101 179.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -144.89 145.28 31.51 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 104.884 -2.265 . . . . 26.530000000000001 104.884 177.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.6 mp -119.46 132.99 67.72 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.675 1 N-CA-C 99.991 -4.078 . . . . 32.539999999999999 99.991 -179.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.0 p -140.22 153.75 22.46 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.828 0 O-C-N 125.554 1.784 . . . . 21.510000000000002 111.393 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.9 m -123.93 125.75 45.16 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 102.434 -3.173 . . . . 26.43 102.434 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.67 120.58 40.27 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 102.242 -3.244 . . . . 26.780000000000001 102.242 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -84.87 154.13 28.98 Favored Glycine 0 C--N 1.291 -1.932 0 CA-C-N 114.203 -1.362 . . . . 28.07 110.093 -179.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.18 -36.64 42.21 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-O 117.376 -1.297 . . . . 35.770000000000003 112.279 -179.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -101.79 44.09 1.03 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 119.197 3.036 . . . . 29.440000000000001 119.197 -179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.66 6.73 88.92 Favored Glycine 0 CA--C 1.47 -2.734 0 N-CA-C 118.352 2.101 . . . . 21.699999999999999 118.352 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -88.28 152.04 22.22 Favored 'General case' 0 C--N 1.3 -1.555 0 C-N-CA 116.939 -1.904 . . . . 18.43 112.481 -179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 72.3 mt -129.41 122.52 29.57 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 104.41 -2.441 . . . . 17.510000000000002 104.41 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 13.3 p -135.69 149.59 49.3 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 105.029 -2.212 . . . . 26.350000000000001 105.029 178.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 170.39 -157.38 28.59 Favored Glycine 0 C--N 1.292 -1.908 0 C-N-CA 118.57 -1.776 . . . . 12.69 111.693 179.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.0 p -138.63 148.38 44.02 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 125.673 1.455 . . . . 26.649999999999999 108.792 179.818 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -119.29 134.35 55.26 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 126.498 2.374 . . . . 21.649999999999999 105.559 -179.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -123.15 122.08 37.54 Favored 'General case' 0 C--N 1.303 -1.438 1 N-CA-C 97.888 -4.856 . . . . 35.630000000000003 97.888 179.604 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -93.67 171.04 9.14 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 122.772 1.272 . . . . 36.100000000000001 113.881 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.89 -30.35 4.43 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-N 111.621 -2.536 . . . . 36.460000000000001 107.473 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.5 m -126.13 164.77 25.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 N-CA-C 112.866 0.691 . . . . 33.25 112.866 -179.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.0 -165.27 24.14 Favored Glycine 0 N--CA 1.486 2.009 0 O-C-N 126.021 2.075 . . . . 32.329999999999998 114.93 178.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.557 ' HB3' ' O2 ' ' A' ' 154' ' ' SO4 . 63.6 t30 -97.6 57.72 1.39 Allowed 'General case' 0 C--N 1.299 -1.601 1 N-CA-C 99.512 -4.255 . . . . 35.659999999999997 99.512 179.746 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -125.17 153.18 43.46 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-N 113.53 -1.668 . . . . 33.659999999999997 106.665 -179.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.554 ' O ' ' CB ' ' A' ' 52' ' ' SER . 9.3 tt0 -162.24 104.0 1.12 Allowed 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.737 -1.209 . . . . 41.689999999999998 107.737 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . 0.554 ' CB ' ' O ' ' A' ' 51' ' ' GLU . 1.7 t 94.89 -153.93 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 123.655 1.693 . . . . 42.539999999999999 111.451 179.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -95.73 140.15 30.94 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 112.492 -2.14 . . . . 34.950000000000003 115.572 -178.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -126.68 149.38 49.58 Favored 'General case' 0 C--N 1.312 -1.023 0 O-C-N 127.218 2.824 . . . . 17.359999999999999 108.228 179.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.8 t -73.26 141.34 16.44 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.85 0 CA-C-O 118.314 -0.851 . . . . 17.530000000000001 111.124 179.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -128.3 148.32 50.65 Favored 'General case' 0 C--N 1.314 -0.963 0 N-CA-C 104.541 -2.392 . . . . 21.609999999999999 104.541 177.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.8 t -145.57 144.01 30.24 Favored 'General case' 0 C--N 1.294 -1.843 0 N-CA-C 104.527 -2.397 . . . . 18.829999999999998 104.527 178.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.82 -167.27 26.18 Favored Glycine 0 C--N 1.293 -1.854 0 C-N-CA 119.289 -1.434 . . . . 11.69 111.75 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -144.1 156.42 44.35 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 124.357 0.681 . . . . 17.469999999999999 110.103 -179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -141.72 171.31 14.24 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 103.694 -2.706 . . . . 25.73 103.694 178.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -87.72 110.12 20.21 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 108.198 -1.038 . . . . 20.140000000000001 108.198 -179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.3 t -83.34 18.93 1.63 Allowed 'General case' 0 C--N 1.285 -2.215 0 CA-C-N 114.559 -1.201 . . . . 32.460000000000001 110.751 -179.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -157.73 69.14 4.07 Favored Pre-proline 0 N--CA 1.487 1.376 0 CA-C-N 116.004 -0.544 . . . . 35.439999999999998 110.342 -179.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -68.33 174.48 8.12 Favored 'Trans proline' 0 N--CA 1.494 1.559 0 C-N-CA 121.963 1.775 . . . . 50.969999999999999 107.664 154.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.66 165.33 23.77 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 124.343 1.027 . . . . 58.229999999999997 110.939 -179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -97.01 30.17 2.82 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 114.761 1.393 . . . . 59.670000000000002 114.761 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -117.07 -178.01 3.34 Favored 'General case' 0 N--CA 1.508 2.431 0 CA-C-N 119.726 1.148 . . . . 55.43 109.931 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.9 53.18 4.06 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 124.21 0.943 . . . . 44.68 115.352 179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.0 165.97 10.71 Favored 'General case' 0 C--N 1.295 -1.783 0 N-CA-C 108.732 -0.84 . . . . 34.049999999999997 108.732 -179.754 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.44 167.07 30.96 Favored Glycine 0 CA--C 1.547 2.09 0 N-CA-C 103.977 -3.649 . . . . 24.149999999999999 103.977 179.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.2 m -101.52 119.5 38.87 Favored 'General case' 0 C--N 1.288 -2.103 0 N-CA-C 105.594 -2.002 . . . . 22.48 105.594 179.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.73 141.38 46.35 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 123.655 0.597 . . . . 14.949999999999999 110.402 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.3 pp -157.9 171.08 20.92 Favored 'General case' 0 C--N 1.307 -1.256 0 CA-C-N 113.803 -1.544 . . . . 17.140000000000001 110.643 179.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.06 154.89 26.02 Favored Glycine 0 C--N 1.295 -1.742 0 N-CA-C 109.316 -1.514 . . . . 11.48 109.316 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 31.0 p90 -152.72 162.79 40.8 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 107.302 -1.37 . . . . 14.140000000000001 107.302 178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 86.4 m -127.76 146.62 50.53 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.358 -1.746 . . . . 13.890000000000001 111.79 179.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 70.1 t -135.93 124.42 37.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 N-CA-C 103.557 -2.757 . . . . 15.279999999999999 103.557 177.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -96.95 128.38 43.86 Favored 'General case' 0 N--CA 1.529 3.497 1 N-CA-C 96.179 -5.489 . . . . 13.44 96.179 178.006 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 86.7 m95 -84.28 60.31 5.89 Favored 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 116.2 1.926 . . . . 19.600000000000001 116.2 -177.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -135.84 129.92 33.13 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-N 112.153 -2.294 . . . . 38.710000000000001 109.461 179.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 56.4 p30 -151.05 -167.31 2.78 Favored 'General case' 0 C--N 1.293 -1.878 0 N-CA-C 102.997 -2.964 . . . . 18.420000000000002 102.997 178.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -75.97 1.01 16.45 Favored 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 117.747 2.499 . . . . 38.619999999999997 117.747 -179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -124.58 -18.06 5.79 Favored 'General case' 0 CA--C 1.473 -2.013 0 CA-C-O 116.793 -1.575 . . . . 52.670000000000002 112.083 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.505 ' HE ' ' C ' ' A' ' 49' ' ' ASN . 7.4 ttt85 -149.81 147.48 28.04 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 125.625 1.828 . . . . 28.25 112.711 -178.625 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -139.46 95.21 2.89 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 102.24 -3.244 . . . . 21.300000000000001 102.24 178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -86.1 -2.55 58.43 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 115.082 1.512 . . . . 18.859999999999999 115.082 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m80 54.11 48.3 21.3 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-O 121.62 0.724 . . . . 22.969999999999999 109.989 179.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 93.6 p -157.93 165.3 35.54 Favored 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 114.486 -1.234 . . . . 17.859999999999999 111.096 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.72 147.82 30.34 Favored 'General case' 0 C--N 1.295 -1.764 0 N-CA-C 106.94 -1.504 . . . . 14.25 106.94 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.9 m -120.23 140.82 50.62 Favored 'General case' 0 CA--C 1.578 2.023 0 O-C-N 124.75 1.281 . . . . 13.92 110.77 178.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 43.0 p -123.95 141.05 52.39 Favored 'General case' 0 C--O 1.215 -0.741 0 N-CA-C 102.434 -3.173 . . . . 15.470000000000001 102.434 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -118.28 135.03 54.53 Favored 'General case' 0 C--N 1.293 -1.858 0 N-CA-C 104.03 -2.581 . . . . 13.300000000000001 104.03 179.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.0 t -127.74 133.53 49.52 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 103.895 -2.632 . . . . 16.120000000000001 103.895 179.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 179.81 -156.52 18.28 Favored Glycine 0 N--CA 1.489 2.186 0 C-N-CA 118.433 -1.842 . . . . 15.960000000000001 111.525 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 23.0 pt20 -143.32 152.18 41.34 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.333 1.063 . . . . 20.68 111.525 179.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -99.53 135.79 40.42 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.286 -2.234 . . . . 23.559999999999999 106.215 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 92.8 t -126.51 123.66 63.69 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.154 0 N-CA-C 100.844 -3.761 . . . . 32.43 100.844 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.08 -166.46 30.22 Favored Glycine 0 N--CA 1.505 3.251 0 C-N-CA 119.873 -1.156 . . . . 34.719999999999999 111.974 -179.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.96 -167.95 15.49 Favored Glycine 0 N--CA 1.485 1.935 0 C-N-CA 118.8 -1.667 . . . . 31.690000000000001 110.95 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -42.72 -59.73 1.83 Allowed 'General case' 0 N--CA 1.499 2.017 0 O-C-N 126.575 1.985 . . . . 30.579999999999998 109.319 179.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -117.37 78.49 1.23 Allowed 'General case' 0 C--N 1.302 -1.487 0 CA-C-N 112.53 -2.123 . . . . 33.850000000000001 110.838 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.79 147.29 50.61 Favored 'General case' 0 C--N 1.297 -1.692 0 CA-C-N 108.803 -3.817 . . . . 27.960000000000001 105.991 179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 ptt-85 -159.58 163.1 35.35 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 115.732 -0.667 . . . . 33.609999999999999 110.503 179.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 50.3 mt -126.95 116.55 45.06 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.597 1 N-CA-C 100.05 -4.056 . . . . 15.800000000000001 100.05 178.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -101.19 129.01 47.05 Favored 'General case' 0 N--CA 1.508 2.47 0 N-CA-C 103.825 -2.658 . . . . 31.16 103.825 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.7 p -140.54 165.34 27.73 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 114.938 1.459 . . . . 13.92 114.938 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.22 146.41 50.74 Favored 'General case' 0 C--N 1.302 -1.483 1 N-CA-C 95.668 -5.679 . . . . 22.170000000000002 95.668 176.875 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 45.6 p-90 -135.38 159.15 42.49 Favored 'General case' 0 C--N 1.3 -1.561 0 CA-C-O 121.948 0.88 . . . . 15.029999999999999 111.21 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.2 mt -129.03 127.97 42.67 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 105.11 -2.181 . . . . 16.199999999999999 105.11 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 tp -118.52 116.72 27.23 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 104.668 -2.345 . . . . 22.440000000000001 104.668 179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 79.0 m -111.87 136.25 51.42 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 106.842 -1.54 . . . . 13.99 106.842 179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 53.7 m -109.91 146.98 34.25 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 105.514 -2.032 . . . . 30.399999999999999 105.514 179.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.95 127.75 10.48 Favored Glycine 0 N--CA 1.502 3.08 0 N-CA-C 105.611 -2.995 . . . . 22.66 105.611 179.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 57.8 p -130.46 176.42 8.17 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 117.744 0.772 . . . . 22.539999999999999 109.962 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.5 p -85.69 168.46 14.35 Favored 'General case' 0 CA--C 1.559 1.313 1 N-CA-C 98.916 -4.476 . . . . 26.059999999999999 98.916 178.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -62.46 -29.78 70.77 Favored 'General case' 0 N--CA 1.499 1.982 0 C-N-CA 120.08 -0.648 . . . . 27.100000000000001 112.444 -179.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.23 -33.51 74.54 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 119.097 -1.041 . . . . 23.68 111.715 -179.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -101.85 12.97 36.13 Favored 'General case' 0 CA--C 1.475 -1.914 0 N-CA-C 115.225 1.565 . . . . 28.059999999999999 115.225 -179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.45 -27.93 67.91 Favored 'General case' 0 C--N 1.275 -2.673 0 C-N-CA 118.945 -1.102 . . . . 24.100000000000001 112.525 179.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 53.7 p-90 -65.9 -19.3 65.82 Favored 'General case' 0 N--CA 1.491 1.61 0 C-N-CA 119.999 -0.68 . . . . 36.369999999999997 112.832 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -117.24 33.51 5.58 Favored 'General case' 0 C--N 1.283 -2.291 0 C-N-CA 120.121 -0.632 . . . . 38.399999999999999 109.562 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 92.8 p -93.11 -15.57 25.9 Favored 'General case' 0 C--N 1.307 -1.255 0 N-CA-C 116.948 2.203 . . . . 19.699999999999999 116.948 -179.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 29.0 m -118.9 126.43 51.78 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 117.807 2.521 . . . . 14.4 117.807 -177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.3 148.86 24.95 Favored 'General case' 0 N--CA 1.498 1.943 0 N-CA-C 106.049 -1.834 . . . . 17.510000000000002 106.049 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.2 p -125.61 146.37 31.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.556 0 N-CA-C 106.436 -1.69 . . . . 13.390000000000001 106.436 179.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.75 -171.94 29.59 Favored Glycine 0 C--N 1.297 -1.591 0 O-C-N 124.559 1.162 . . . . 11.4 110.361 179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -142.87 154.15 43.85 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 107.326 -1.361 . . . . 29.530000000000001 107.326 179.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -146.31 143.43 29.13 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 114.175 -1.375 . . . . 32.700000000000003 109.973 179.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 47.3 m -122.69 128.52 50.68 Favored 'General case' 0 C--N 1.291 -1.947 0 N-CA-C 102.392 -3.188 . . . . 24.399999999999999 102.392 178.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -112.41 143.14 44.04 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 124.871 1.357 . . . . 17.41 109.672 179.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.2 p -130.65 167.26 19.05 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 107.618 -1.252 . . . . 22.23 107.618 178.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.808 ' NZ ' ' O ' ' A' ' 195' ' ' HOH . 3.4 mmpt? -84.71 -13.02 52.59 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 124.894 1.371 . . . . 35.960000000000001 112.553 -179.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . 0.271 17.8 t . . . . . 0 C--N 1.288 -2.076 0 O-C-N 126.132 2.145 . . . . 39.079999999999998 106.657 -179.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' SO4 . . . . . 0.649 ' O3 ' ' O ' ' A' ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . 0.649 ' O ' ' O3 ' ' A' ' 154' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' HOH . . . . . 0.808 ' O ' ' NZ ' ' A' ' 132' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_