data_3nmr_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 3nmr _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' ' ' SER . . . . . 0.563 ' CB ' ' CG ' ' A' ' 69' ' ' ARG . 26.1 t . . . . . 0 N--CA 1.503 2.179 0 N-CA-C 113.808 1.04 . . . . 48.2 113.808 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . 0.435 ' N ' ' OG ' ' A' ' 13' ' ' SER . 39.0 t70 -82.73 171.41 14.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.279 0.632 . . . . 51.0 109.726 178.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.78 146.33 53.83 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.617 0.644 . . . . 36.61 111.527 -167.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 tt -151.59 138.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.811 -1.156 . . . . 31.13 111.727 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -99.88 124.48 45.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.54 -1.209 . . . . 32.34 109.336 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' MSE . . . . . . . . . . . . . 92.1 mmm -106.98 139.45 41.36 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.164 -0.925 . . . . 36.84 109.675 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -91.14 134.19 34.74 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.681 -0.691 . . . . 21.88 109.719 169.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 25.1 t -128.84 122.11 56.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.951 -0.568 . . . . 21.02 111.783 -176.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.53 172.22 15.27 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.588 -0.605 . . . . 21.8 111.588 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 60.65 39.01 18.17 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.99 0.916 . . . . 26.41 112.383 -173.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -96.58 125.2 48.0 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 114.594 -1.185 . . . . 22.93 108.697 169.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.21 136.38 67.96 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 117.962 -0.892 . . . . 21.52 113.427 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -58.86 -22.16 58.51 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.798 0.666 . . . . 24.72 112.798 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -80.05 -10.16 59.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.581 0.956 . . . . 27.55 113.581 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -80.02 140.84 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.557 -0.714 . . . . 27.24 111.235 -177.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -109.24 179.69 4.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.771 0.796 . . . . 28.25 109.529 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.77 -39.05 61.9 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 114.205 -1.361 . . . . 25.82 111.018 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -61.12 -48.56 81.09 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.487 -0.885 . . . . 39.6 111.451 -177.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.12 -42.5 90.74 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.73 0.776 . . . . 34.25 111.443 177.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.44 -43.67 80.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.665 0.987 . . . . 23.64 113.665 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -54.06 -48.07 70.98 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.907 -0.405 . . . . 34.77 109.907 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -44.73 75.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.957 0.725 . . . . 45.59 112.957 177.008 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.82 -48.2 77.77 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 121.909 -0.494 . . . . 29.47 111.419 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -76.19 -30.06 57.88 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.674 0.62 . . . . 25.36 112.674 -171.415 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -66.87 -17.02 64.69 Favored 'General case' 0 C--O 1.228 -0.054 0 O-C-N 124.498 1.124 . . . . 28.55 111.752 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -56.14 -27.39 53.95 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.132 0.79 . . . . 39.74 113.132 169.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -109.39 -25.72 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.822 0.675 . . . . 32.0 112.822 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.28 167.91 37.46 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 110.656 -0.978 . . . . 26.25 110.656 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 137.91 56.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.795 0.331 . . . . 24.88 110.703 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.42 124.6 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 25.03 111.309 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -77.02 -46.67 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.765 -0.652 . . . . 41.46 111.363 175.827 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -156.68 146.71 21.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.871 -0.732 . . . . 39.28 111.106 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 14.6 mm -126.33 139.71 50.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 107.306 -1.368 . . . . 31.18 107.306 173.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -143.87 108.8 4.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.68 -1.23 . . . . 37.31 107.68 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -75.89 131.66 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.286 -1.376 . . . . 22.39 107.286 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.45 128.69 36.19 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.939 -1.134 . . . . 23.46 107.939 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -117.45 154.68 30.98 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 114.486 1.291 . . . . 28.1 114.486 -176.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -111.46 114.82 28.19 Favored 'General case' 0 C--O 1.251 1.157 0 C-N-CA 126.253 1.821 . . . . 19.85 107.544 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.94 25.53 11.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.337 0.865 . . . . 23.55 113.337 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -66.92 -28.14 68.06 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.43 -0.793 . . . . 21.84 112.91 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -147.3 176.63 9.84 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.382 -0.97 . . . . 23.53 108.382 174.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -90.21 129.13 46.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 112.315 0.487 . . . . 31.15 112.315 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -92.73 169.75 21.84 Favored 'Cis proline' 0 N--CA 1.457 -0.674 0 N-CA-C 113.636 0.591 . . . . 25.43 113.636 0.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.97 147.08 84.15 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 N-CA-C 109.304 -1.075 . . . . 23.05 109.304 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -135.54 143.49 45.75 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.094 -0.503 . . . . 32.12 109.911 -173.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -61.23 138.25 58.23 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 113.126 0.787 . . . . 19.23 113.126 168.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -89.85 5.6 45.49 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.647 -0.706 . . . . 23.59 111.922 175.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.84 24.43 52.96 Favored Glycine 0 N--CA 1.467 0.721 0 C-N-CA 120.387 -0.911 . . . . 19.95 110.942 170.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.88 163.04 40.28 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.889 0.852 . . . . 20.92 109.171 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.64 166.79 28.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.683 -0.69 . . . . 21.29 110.168 -177.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -108.89 135.16 50.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 106.865 -1.531 . . . . 22.69 106.865 167.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 3.7 p -125.72 128.13 71.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 107.524 -1.287 . . . . 21.61 107.524 171.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.8 m -107.29 116.99 32.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.283 -1.747 . . . . 24.44 106.283 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 124.166 0.916 . . . . 26.27 108.875 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.705 0.631 . . . . 34.22 112.705 176.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.9 p -131.85 151.35 51.75 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 121.693 -0.63 . . . . 29.8 111.516 -175.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . 0.563 ' CG ' ' CB ' ' A' ' 13' ' ' SER . 26.5 mtt180 -64.91 -33.66 76.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 120.038 -0.665 . . . . 49.56 110.628 175.632 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . 0.6 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 55.4 tttm -58.56 -44.63 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.16 -0.616 . . . . 40.39 109.683 -179.386 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.772 0.796 . . . . 29.76 111.569 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.19 -43.41 74.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.425 -0.807 . . . . 28.55 111.343 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.2 tp -70.34 -40.88 73.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.74 0.781 . . . . 35.33 110.664 -176.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . 0.6 ' OE2' ' NZ ' ' A' ' 70' ' ' LYS . 86.0 mt-10 -62.52 -39.8 94.73 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.407 -0.917 . . . . 42.13 111.59 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.346 0.593 . . . . 29.51 109.829 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -61.41 -48.94 78.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.67 0.747 . . . . 33.13 109.953 -178.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.65 -38.62 81.92 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.8 -0.76 . . . . 37.56 111.319 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.67 65.51 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.444 0.905 . . . . 31.48 113.444 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -114.07 -42.35 3.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 115.05 1.5 . . . . 29.08 115.05 -165.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.44 124.08 19.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 30.64 109.791 -171.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.79 19.36 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 37.36 112.579 179.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' MSE . . . . . . . . . . . . . 3.7 mmm -123.92 -51.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.484 0.92 . . . . 43.68 113.484 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -98.01 127.4 43.94 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.742 -0.383 . . . . 40.31 111.458 -174.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.75 115.17 41.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.882 -1.155 . . . . 30.35 107.882 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.24 156.44 87.47 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.3 -0.63 . . . . 33.06 109.3 179.306 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -47.43 123.8 8.46 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.851 2.367 . . . . 32.61 115.165 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.18 57.99 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.57 -0.741 . . . . 31.57 113.738 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' MSE . . . . . . . . . . . . . 29.0 mmt -79.18 155.29 28.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.977 -1.089 . . . . 32.18 109.365 -177.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -110.87 3.2 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.514 -0.312 . . . . 33.75 110.759 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -140.84 153.49 67.66 Favored Pre-proline 0 N--CA 1.452 -0.373 0 N-CA-C 108.025 -1.102 . . . . 37.23 108.025 175.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -75.91 156.35 38.97 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.216 1.944 . . . . 27.31 112.657 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.8 mt -45.5 138.31 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.835 0 CA-C-N 113.989 -1.46 . . . . 25.65 111.183 173.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -118.11 127.03 53.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 106.533 -1.654 . . . . 31.08 106.533 174.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' MSE . . . . . . . . . . . . . 2.0 ttt -135.7 131.55 35.8 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.915 -0.402 . . . . 42.76 109.915 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 244' ' ' HOH . 3.3 pttp -159.41 163.39 23.51 Favored Pre-proline 0 C--O 1.237 0.403 0 N-CA-C 108.938 -0.764 . . . . 39.86 108.938 178.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -62.85 142.79 90.01 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 117.35 -1.3 . . . . 29.06 110.495 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.7 155.58 37.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.778 0.674 . . . . 27.38 111.21 -176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.02 -34.88 75.53 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.355 -0.384 . . . . 30.0 110.772 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.1 p -63.59 -16.32 60.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.582 0.586 . . . . 32.95 112.582 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -88.07 -12.56 43.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.003 -0.436 . . . . 43.74 110.518 -177.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -60.46 124.61 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.71 -1.219 . . . . 52.1 107.71 -177.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -105.67 -80.2 0.55 Allowed 'General case' 0 N--CA 1.418 -2.044 0 N-CA-C 115.13 1.53 . . . . 55.7 115.13 -171.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -77.27 67.93 3.31 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 119.923 -0.711 . . . . 53.69 111.794 177.901 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -43.87 131.67 5.5 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 117.456 -1.697 . . . . 49.68 106.957 176.562 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.14 -40.67 78.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.97 -0.752 . . . . 51.31 108.97 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLU . . . . . 0.758 ' CG ' ' O ' ' A' ' 254' ' ' HOH . 5.3 mt-10 -56.41 -20.47 19.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.783 0.66 . . . . 59.69 112.783 -176.059 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.04 13.46 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.011 0.434 . . . . 50.5 111.272 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 21.3 mtm180 -128.63 6.55 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.48 -0.934 . . . . 49.87 108.48 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LYS . . . . . 0.582 ' CE ' ' O4 ' ' B' ' 5' ' ' ' U' . 5.9 tttp -112.67 132.55 55.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 42.68 110.308 -168.839 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.0 mt -104.95 137.98 41.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 124.032 0.832 . . . . 31.65 112.284 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -87.96 125.59 34.61 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.762 -0.829 . . . . 26.41 108.762 161.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.4 mm -111.06 114.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.338 -1.727 . . . . 24.62 106.338 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.47 171.9 15.05 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 110.99 -0.844 . . . . 21.17 110.99 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' MSE . . . . . . . . . . . . . 35.6 mmt 54.23 47.74 22.4 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.165 0.568 . . . . 27.52 110.587 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.4 pt -102.02 155.18 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.899 -1.149 . . . . 25.57 107.899 167.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.6 t -58.58 142.89 47.95 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.553 -0.749 . . . . 28.64 109.5 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -69.07 -12.95 62.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.868 -0.733 . . . . 41.06 112.909 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -83.99 -14.62 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 43.29 110.263 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.83 130.12 45.41 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 122.65 1.214 . . . . 35.49 114.017 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . 0.639 ' CG2' ' N ' ' A' ' 122' ' ' ASN . 0.7 OUTLIER -96.87 161.46 13.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 112.97 -1.923 . . . . 36.21 111.171 -179.023 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -54.09 -40.03 66.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.327 -0.949 . . . . 44.44 109.007 172.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ASN . . . . . 0.639 ' N ' ' CG2' ' A' ' 120' ' ' THR . 50.6 t30 -66.59 -42.49 86.87 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.306 -0.558 . . . . 40.63 111.913 -178.017 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -51.43 -46.97 63.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 39.72 111.945 174.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 32.5 mm -69.65 -43.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.977 -0.749 . . . . 35.88 108.977 -176.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ARG . . . . . 0.471 ' NH2' ' O ' ' A' ' 253' ' ' HOH . 72.0 mtt-85 -53.5 -45.99 69.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.093 0.473 . . . . 41.77 110.994 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.47 -42.96 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 39.43 111.58 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' MSE . . . . . . . . . . . . . 7.9 mtp -62.44 -32.26 73.09 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 120.311 -0.556 . . . . 51.48 110.885 -176.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -110.66 2.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.795 1.035 . . . . 38.14 113.795 -171.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 12.1 p -69.06 -23.89 64.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.217 0.821 . . . . 42.46 113.217 -174.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 p -68.98 -13.56 62.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.703 0.631 . . . . 43.76 112.703 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -96.99 -8.2 31.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.449 1.277 . . . . 44.61 114.449 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLY . . . . . 0.645 ' CA ' 'SE ' ' A' ' 160' ' ' MSE . . . 151.09 -178.01 28.74 Favored Glycine 0 CA--C 1.51 -0.269 0 C-N-CA 120.441 -0.885 . . . . 45.56 111.954 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -77.72 130.72 37.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.248 0.547 . . . . 51.45 110.511 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 82.0 mt -100.65 115.01 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.169 -0.923 . . . . 44.82 108.905 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.52 -24.06 31.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.478 -0.783 . . . . 49.49 111.234 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -160.71 148.57 16.01 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.321 0.582 . . . . 51.86 111.51 175.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 45.7 t -149.86 119.07 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.978 -1.49 . . . . 41.04 106.978 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -128.99 125.32 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.514 -0.767 . . . . 54.93 110.491 -179.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.5 mm -80.57 129.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.96 -1.126 . . . . 35.77 107.96 167.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 140' ' ' LEU . 6.5 mp -76.37 127.71 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.716 0.77 . . . . 37.99 109.677 172.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -129.03 152.44 48.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.947 -0.76 . . . . 37.43 108.947 -177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -91.35 -170.72 42.53 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.876 -1.29 . . . . 41.42 109.876 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.57 -34.45 98.84 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.42 2.747 . . . . 44.34 114.646 -171.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -93.09 17.74 10.41 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.231 0.826 . . . . 49.78 113.231 -179.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 75.28 1.88 65.64 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 113.574 0.19 . . . . 39.96 113.574 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.14 131.81 42.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.257 0.551 . . . . 39.09 109.593 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.8 t -56.76 140.41 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.767 -1.106 . . . . 32.45 110.755 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -88.94 10.29 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.793 0.806 . . . . 54.89 109.581 171.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 73.11 26.86 69.69 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.6 -0.81 . . . . 27.69 112.381 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.4 166.78 30.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.427 -0.455 . . . . 25.89 112.164 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -148.67 163.06 38.42 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.018 0.437 . . . . 26.96 111.433 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' PHE . . . . . 0.41 ' CD2' ' C2 ' ' B' ' 5' ' ' ' U' . 76.3 m-85 -114.42 134.73 54.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.178 -0.919 . . . . 36.06 109.729 165.866 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.57 122.97 62.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.115 -0.698 . . . . 32.39 109.115 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 43.9 m -107.95 123.17 48.22 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.017 -1.105 . . . . 37.13 108.017 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -94.98 171.51 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.993 -1.484 . . . . 39.74 106.993 174.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' THR . . . . . 0.669 ' OG1' ' CE ' ' A' ' 160' ' ' MSE . 69.3 p -80.15 -26.5 39.33 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.211 -0.596 . . . . 43.97 110.153 -177.809 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 13.8 p -133.97 132.55 40.3 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.037 0.535 . . . . 45.59 111.898 178.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -48.73 -36.81 17.15 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.891 0.377 . . . . 45.06 111.369 176.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -48.68 -43.39 36.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 43.31 111.66 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' MSE . . . . . 0.669 ' CE ' ' OG1' ' A' ' 156' ' ' THR . 66.1 mtm -71.79 -26.58 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.548 -0.296 . . . . 53.45 111.605 179.745 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.15 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.938 -0.394 . . . . 40.43 109.938 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -58.57 -41.74 86.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 46.37 111.928 174.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.9 m -62.24 -43.66 98.32 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.079 -0.388 . . . . 38.65 111.708 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.63 97.97 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 112.565 0.58 . . . . 33.92 112.565 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.19 -52.29 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.637 0.732 . . . . 31.33 111.219 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.67 -36.68 81.54 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.985 -0.552 . . . . 41.53 111.009 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -81.53 -32.22 32.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 113.068 0.766 . . . . 30.26 113.068 -176.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' MSE . . . . . . . . . . . . . 80.0 mmm -113.28 -20.72 11.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.144 1.535 . . . . 41.94 115.144 -165.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -60.62 124.91 21.8 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.676 -0.81 . . . . 23.54 110.208 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 47.98 32.92 3.08 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.946 1.698 . . . . 22.81 114.928 -175.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.03 -22.28 45.68 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.196 -0.602 . . . . 25.03 112.285 -176.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.64 164.18 37.48 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.306 -0.627 . . . . 37.53 109.306 -178.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 86.1 m -113.91 132.3 55.98 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.108 -0.701 . . . . 22.64 109.108 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' MSE . . . . . . . . . . . . . 46.2 mtp -92.71 167.47 11.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.724 0.638 . . . . 37.49 112.724 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -50.1 128.5 19.14 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.715 0.806 . . . . 39.31 112.325 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 79.57 -0.79 80.16 Favored Glycine 0 C--N 1.335 0.519 0 O-C-N 124.035 0.834 . . . . 22.63 114.727 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 94.0 m -96.81 135.0 39.4 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.994 1.109 . . . . 22.11 113.994 -173.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 96.8 p -73.64 -18.67 61.01 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 114.429 1.27 . . . . 22.26 114.429 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 2.1 m -145.66 164.59 25.07 Favored Pre-proline 0 N--CA 1.462 0.13 0 N-CA-C 109.56 -0.533 . . . . 23.77 109.56 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.25 153.37 59.81 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 121.67 1.58 . . . . 18.95 113.34 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' MSE . . . . . . . . . . . . . 10.1 ttm -47.41 138.47 7.54 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.989 0.737 . . . . 42.25 112.989 175.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 26.8 t -105.89 128.15 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.752 -1.573 . . . . 22.22 106.752 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.21 114.04 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 108.077 -1.083 . . . . 24.3 108.077 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -156.28 162.2 40.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.742 -0.466 . . . . 31.45 109.742 -172.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -59.87 132.5 54.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 118.934 -1.106 . . . . 33.45 112.232 171.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -63.35 150.88 42.37 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.444 -1.253 . . . . 34.93 111.435 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 108.465 -0.939 . . . . 44.07 108.465 174.699 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.573 0 O5'-C5'-C4' 107.644 -1.826 . 0.0 '__' . 47.55 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.37 1 OP1-P-OP2 125.746 4.097 . 0.05 4p . 26.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.398 -2.646 0 C3'-C2'-C1' 104.186 2.984 . 0.755 6n . 26.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.591 -1.374 0 O4'-C1'-C2' 104.064 -1.668 . 0.656 1[ . 41.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' U' . . . . . 0.582 ' O4 ' ' CE ' ' A' ' 109' ' ' LYS . . . . . . . . 0 O5'--C5' 1.416 -1.504 0 C4'-C3'-C2' 106.504 3.804 OUTLIER-DELTA 0.0 OUTLIER delta 73.17 . . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' 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 0 . 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 orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . 0.422 ' O ' ' NZ ' ' A' ' 95' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . 0.471 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . 0.758 ' O ' ' CG ' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . 0.981 ' HB3' ' CG ' ' A' ' 69' ' ' ARG . 26.1 t . . . . . 0 N--CA 1.503 2.179 0 N-CA-C 113.808 1.04 . . . . 48.2 113.808 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . 0.435 ' N ' ' OG ' ' A' ' 13' ' ' SER . 39.0 t70 -82.73 171.41 14.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.279 0.632 . . . . 51.0 109.726 178.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.78 146.33 53.83 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.617 0.644 . . . . 36.61 111.527 -167.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 tt -151.59 138.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.811 -1.156 . . . . 31.13 111.727 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -99.88 124.48 45.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.54 -1.209 . . . . 32.34 109.336 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' MSE . . . . . . . . . . . . . 92.1 mmm -106.98 139.45 41.36 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.164 -0.925 . . . . 36.84 109.675 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -91.14 134.19 34.74 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.681 -0.691 . . . . 21.88 109.719 169.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 94' ' ' MSE . 25.1 t -128.84 122.11 56.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.951 -0.568 . . . . 21.02 111.783 -176.145 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.53 172.22 15.27 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.588 -0.605 . . . . 21.8 111.588 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 60.65 39.01 18.17 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.99 0.916 . . . . 26.41 112.383 -173.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -96.58 125.2 48.0 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 114.594 -1.185 . . . . 22.93 108.697 169.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.21 136.38 67.96 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 117.962 -0.892 . . . . 21.52 113.427 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -58.86 -22.16 58.51 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.798 0.666 . . . . 24.72 112.798 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -80.05 -10.16 59.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.581 0.956 . . . . 27.55 113.581 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -80.02 140.84 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.557 -0.714 . . . . 27.24 111.235 -177.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -109.24 179.69 4.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.771 0.796 . . . . 28.25 109.529 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.77 -39.05 61.9 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 114.205 -1.361 . . . . 25.82 111.018 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -61.12 -48.56 81.09 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.487 -0.885 . . . . 39.6 111.451 -177.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.12 -42.5 90.74 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.73 0.776 . . . . 34.25 111.443 177.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.44 -43.67 80.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.665 0.987 . . . . 23.64 113.665 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -54.06 -48.07 70.98 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.907 -0.405 . . . . 34.77 109.907 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -44.73 75.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.957 0.725 . . . . 45.59 112.957 177.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.82 -48.2 77.77 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 121.909 -0.494 . . . . 29.47 111.419 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -76.19 -30.06 57.88 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.674 0.62 . . . . 25.36 112.674 -171.415 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -66.87 -17.02 64.69 Favored 'General case' 0 C--O 1.228 -0.054 0 O-C-N 124.498 1.124 . . . . 28.55 111.752 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -56.14 -27.39 53.95 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.132 0.79 . . . . 39.74 113.132 169.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -109.39 -25.72 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.822 0.675 . . . . 32.0 112.822 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.28 167.91 37.46 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 110.656 -0.978 . . . . 26.25 110.656 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 137.91 56.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.795 0.331 . . . . 24.88 110.703 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.42 124.6 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 25.03 111.309 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -77.02 -46.67 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.765 -0.652 . . . . 41.46 111.363 175.827 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -156.68 146.71 21.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.871 -0.732 . . . . 39.28 111.106 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ILE . . . . . 0.461 HD13 HG23 ' A' ' 64' ' ' VAL . 14.6 mm -126.33 139.71 50.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 107.306 -1.368 . . . . 31.18 107.306 173.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -143.87 108.8 4.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.68 -1.23 . . . . 37.31 107.68 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -75.89 131.66 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.286 -1.376 . . . . 22.39 107.286 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.45 128.69 36.19 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.939 -1.134 . . . . 23.46 107.939 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -117.45 154.68 30.98 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 114.486 1.291 . . . . 28.1 114.486 -176.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -111.46 114.82 28.19 Favored 'General case' 0 C--O 1.251 1.157 0 C-N-CA 126.253 1.821 . . . . 19.85 107.544 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.94 25.53 11.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.337 0.865 . . . . 23.55 113.337 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -66.92 -28.14 68.06 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.43 -0.793 . . . . 21.84 112.91 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -147.3 176.63 9.84 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.382 -0.97 . . . . 23.53 108.382 174.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -90.21 129.13 46.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 112.315 0.487 . . . . 31.15 112.315 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -92.73 169.75 21.84 Favored 'Cis proline' 0 N--CA 1.457 -0.674 0 N-CA-C 113.636 0.591 . . . . 25.43 113.636 0.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.97 147.08 84.15 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 N-CA-C 109.304 -1.075 . . . . 23.05 109.304 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -135.54 143.49 45.75 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.094 -0.503 . . . . 32.12 109.911 -173.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -61.23 138.25 58.23 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 113.126 0.787 . . . . 19.23 113.126 168.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -89.85 5.6 45.49 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.647 -0.706 . . . . 23.59 111.922 175.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.84 24.43 52.96 Favored Glycine 0 N--CA 1.467 0.721 0 C-N-CA 120.387 -0.911 . . . . 19.95 110.942 170.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.88 163.04 40.28 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.889 0.852 . . . . 20.92 109.171 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.64 166.79 28.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.683 -0.69 . . . . 21.29 110.168 -177.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -108.89 135.16 50.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 106.865 -1.531 . . . . 22.69 106.865 167.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . 0.461 HG23 HD13 ' A' ' 45' ' ' ILE . 3.7 p -125.72 128.13 71.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 107.524 -1.287 . . . . 21.61 107.524 171.603 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.8 m -107.29 116.99 32.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.283 -1.747 . . . . 24.44 106.283 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 124.166 0.916 . . . . 26.27 108.875 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.705 0.631 . . . . 34.22 112.705 176.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.9 p -131.85 151.35 51.75 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 121.693 -0.63 . . . . 29.8 111.516 -175.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . 0.981 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 26.5 mtt180 -64.91 -33.66 76.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 120.038 -0.665 . . . . 49.56 110.628 175.632 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 55.4 tttm -58.56 -44.63 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.16 -0.616 . . . . 40.39 109.683 -179.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.772 0.796 . . . . 29.76 111.569 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.19 -43.41 74.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.425 -0.807 . . . . 28.55 111.343 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.2 tp -70.34 -40.88 73.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.74 0.781 . . . . 35.33 110.664 -176.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . 0.554 ' OE2' ' NZ ' ' A' ' 70' ' ' LYS . 86.0 mt-10 -62.52 -39.8 94.73 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.407 -0.917 . . . . 42.13 111.59 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.346 0.593 . . . . 29.51 109.829 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -61.41 -48.94 78.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.67 0.747 . . . . 33.13 109.953 -178.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.65 -38.62 81.92 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.8 -0.76 . . . . 37.56 111.319 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.67 65.51 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.444 0.905 . . . . 31.48 113.444 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -114.07 -42.35 3.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 115.05 1.5 . . . . 29.08 115.05 -165.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.44 124.08 19.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 30.64 109.791 -171.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 60.79 19.36 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 37.36 112.579 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' MSE . . . . . . . . . . . . . 3.7 mmm -123.92 -51.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.484 0.92 . . . . 43.68 113.484 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -98.01 127.4 43.94 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.742 -0.383 . . . . 40.31 111.458 -174.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.75 115.17 41.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.882 -1.155 . . . . 30.35 107.882 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.24 156.44 87.47 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.3 -0.63 . . . . 33.06 109.3 179.306 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -47.43 123.8 8.46 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.851 2.367 . . . . 32.61 115.165 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.18 57.99 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.57 -0.741 . . . . 31.57 113.738 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' MSE . . . . . . . . . . . . . 29.0 mmt -79.18 155.29 28.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.977 -1.089 . . . . 32.18 109.365 -177.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -110.87 3.2 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.514 -0.312 . . . . 33.75 110.759 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -140.84 153.49 67.66 Favored Pre-proline 0 N--CA 1.452 -0.373 0 N-CA-C 108.025 -1.102 . . . . 37.23 108.025 175.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -75.91 156.35 38.97 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.216 1.944 . . . . 27.31 112.657 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.8 mt -45.5 138.31 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.835 0 CA-C-N 113.989 -1.46 . . . . 25.65 111.183 173.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -118.11 127.03 53.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 106.533 -1.654 . . . . 31.08 106.533 174.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' MSE . . . . . 0.524 ' HG3' HG22 ' A' ' 20' ' ' VAL . 2.0 ttt -135.7 131.55 35.8 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.915 -0.402 . . . . 42.76 109.915 -172.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -159.41 163.39 23.51 Favored Pre-proline 0 C--O 1.237 0.403 0 N-CA-C 108.938 -0.764 . . . . 39.86 108.938 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -62.85 142.79 90.01 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 117.35 -1.3 . . . . 29.06 110.495 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.7 155.58 37.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.778 0.674 . . . . 27.38 111.21 -176.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.02 -34.88 75.53 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.355 -0.384 . . . . 30.0 110.772 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.1 p -63.59 -16.32 60.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.582 0.586 . . . . 32.95 112.582 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -88.07 -12.56 43.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.003 -0.436 . . . . 43.74 110.518 -177.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -60.46 124.61 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.71 -1.219 . . . . 52.1 107.71 -177.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -105.67 -80.2 0.55 Allowed 'General case' 0 N--CA 1.418 -2.044 0 N-CA-C 115.13 1.53 . . . . 55.7 115.13 -171.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' A' ' 104' ' ' ALA . 5.4 m-20 -77.27 67.93 3.31 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 119.923 -0.711 . . . . 53.69 111.794 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -43.87 131.67 5.5 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 117.456 -1.697 . . . . 49.68 106.957 176.562 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.14 -40.67 78.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.97 -0.752 . . . . 51.31 108.97 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLU . . . . . 1.11 ' HG3' ' O ' ' A' ' 254' ' ' HOH . 5.3 mt-10 -56.41 -20.47 19.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.783 0.66 . . . . 59.69 112.783 -176.059 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.04 13.46 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.011 0.434 . . . . 50.5 111.272 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 234' ' ' HOH . 21.3 mtm180 -128.63 6.55 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.48 -0.934 . . . . 49.87 108.48 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LYS . . . . . 0.639 ' HE2' ' C4 ' ' B' ' 5' ' ' ' U' . 5.9 tttp -112.67 132.55 55.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 42.68 110.308 -168.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.0 mt -104.95 137.98 41.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 124.032 0.832 . . . . 31.65 112.284 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -87.96 125.59 34.61 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.762 -0.829 . . . . 26.41 108.762 161.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.4 mm -111.06 114.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.338 -1.727 . . . . 24.62 106.338 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.47 171.9 15.05 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 110.99 -0.844 . . . . 21.17 110.99 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' MSE . . . . . . . . . . . . . 35.6 mmt 54.23 47.74 22.4 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.165 0.568 . . . . 27.52 110.587 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.4 pt -102.02 155.18 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.899 -1.149 . . . . 25.57 107.899 167.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.6 t -58.58 142.89 47.95 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.553 -0.749 . . . . 28.64 109.5 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -69.07 -12.95 62.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.868 -0.733 . . . . 41.06 112.909 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -83.99 -14.62 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 43.29 110.263 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.83 130.12 45.41 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 122.65 1.214 . . . . 35.49 114.017 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . 0.799 ' CG2' ' H ' ' A' ' 122' ' ' ASN . 0.7 OUTLIER -96.87 161.46 13.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 112.97 -1.923 . . . . 36.21 111.171 -179.023 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 120' ' ' THR . 55.6 tt0 -54.09 -40.03 66.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.327 -0.949 . . . . 44.44 109.007 172.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ASN . . . . . 0.799 ' H ' ' CG2' ' A' ' 120' ' ' THR . 50.6 t30 -66.59 -42.49 86.87 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.306 -0.558 . . . . 40.63 111.913 -178.017 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 120' ' ' THR . 84.2 m-20 -51.43 -46.97 63.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 39.72 111.945 174.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 32.5 mm -69.65 -43.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.977 -0.749 . . . . 35.88 108.977 -176.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ARG . . . . . 0.471 ' NH2' ' O ' ' A' ' 253' ' ' HOH . 72.0 mtt-85 -53.5 -45.99 69.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.093 0.473 . . . . 41.77 110.994 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.47 -42.96 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 39.43 111.58 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' MSE . . . . . 0.653 ' HE1' 'SE ' ' A' ' 181' ' ' MSE . 7.9 mtp -62.44 -32.26 73.09 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 120.311 -0.556 . . . . 51.48 110.885 -176.935 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -110.66 2.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.795 1.035 . . . . 38.14 113.795 -171.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 125' ' ' ARG . 12.1 p -69.06 -23.89 64.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.217 0.821 . . . . 42.46 113.217 -174.987 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 p -68.98 -13.56 62.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.703 0.631 . . . . 43.76 112.703 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -96.99 -8.2 31.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.449 1.277 . . . . 44.61 114.449 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLY . . . . . 0.954 ' HA3' 'SE ' ' A' ' 160' ' ' MSE . . . 151.09 -178.01 28.74 Favored Glycine 0 CA--C 1.51 -0.269 0 C-N-CA 120.441 -0.885 . . . . 45.56 111.954 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -77.72 130.72 37.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.248 0.547 . . . . 51.45 110.511 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 82.0 mt -100.65 115.01 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.169 -0.923 . . . . 44.82 108.905 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.52 -24.06 31.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.478 -0.783 . . . . 49.49 111.234 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -160.71 148.57 16.01 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.321 0.582 . . . . 51.86 111.51 175.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 45.7 t -149.86 119.07 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.978 -1.49 . . . . 41.04 106.978 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' ARG . . . . . 0.542 HH11 ' HB3' ' A' ' 138' ' ' ARG . 1.6 ttm105 -128.99 125.32 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.514 -0.767 . . . . 54.93 110.491 -179.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.5 mm -80.57 129.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.96 -1.126 . . . . 35.77 107.96 167.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 152' ' ' PHE . 6.5 mp -76.37 127.71 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.716 0.77 . . . . 37.99 109.677 172.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -129.03 152.44 48.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.947 -0.76 . . . . 37.43 108.947 -177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -91.35 -170.72 42.53 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.876 -1.29 . . . . 41.42 109.876 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.57 -34.45 98.84 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.42 2.747 . . . . 44.34 114.646 -171.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 233' ' ' HOH . 60.0 m-20 -93.09 17.74 10.41 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.231 0.826 . . . . 49.78 113.231 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 75.28 1.88 65.64 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 113.574 0.19 . . . . 39.96 113.574 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.14 131.81 42.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.257 0.551 . . . . 39.09 109.593 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.8 t -56.76 140.41 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.767 -1.106 . . . . 32.45 110.755 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -88.94 10.29 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.793 0.806 . . . . 54.89 109.581 171.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 73.11 26.86 69.69 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.6 -0.81 . . . . 27.69 112.381 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.4 166.78 30.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.427 -0.455 . . . . 25.89 112.164 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -148.67 163.06 38.42 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.018 0.437 . . . . 26.96 111.433 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 140' ' ' LEU . 76.3 m-85 -114.42 134.73 54.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.178 -0.919 . . . . 36.06 109.729 165.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.57 122.97 62.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.115 -0.698 . . . . 32.39 109.115 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 43.9 m -107.95 123.17 48.22 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.017 -1.105 . . . . 37.13 108.017 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' PHE . . . . . 0.556 ' HB3' ' HE3' ' A' ' 160' ' ' MSE . 57.7 m-85 -94.98 171.51 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.993 -1.484 . . . . 39.74 106.993 174.602 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 156' ' ' THR . . . . . 0.818 ' OG1' ' HE1' ' A' ' 160' ' ' MSE . 69.3 p -80.15 -26.5 39.33 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.211 -0.596 . . . . 43.97 110.153 -177.809 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 157' ' ' THR . . . . . 0.43 ' H ' ' CE ' ' A' ' 160' ' ' MSE . 13.8 p -133.97 132.55 40.3 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.037 0.535 . . . . 45.59 111.898 178.763 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 158' ' ' ARG . . . . . 0.415 ' N ' ' HG2' ' A' ' 108' ' ' ARG . 47.4 ttt85 -48.73 -36.81 17.15 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.891 0.377 . . . . 45.06 111.369 176.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -48.68 -43.39 36.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 43.31 111.66 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 160' ' ' MSE . . . . . 0.954 'SE ' ' HA3' ' A' ' 132' ' ' GLY . 66.1 mtm -71.79 -26.58 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.548 -0.296 . . . . 53.45 111.605 179.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.15 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.938 -0.394 . . . . 40.43 109.938 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -58.57 -41.74 86.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 46.37 111.928 174.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.9 m -62.24 -43.66 98.32 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.079 -0.388 . . . . 38.65 111.708 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.63 97.97 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 112.565 0.58 . . . . 33.92 112.565 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.19 -52.29 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.637 0.732 . . . . 31.33 111.219 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.67 -36.68 81.54 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.985 -0.552 . . . . 41.53 111.009 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -81.53 -32.22 32.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 113.068 0.766 . . . . 30.26 113.068 -176.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 168' ' ' MSE . . . . . 0.447 ' CE ' ' HE3' ' A' ' 127' ' ' MSE . 80.0 mmm -113.28 -20.72 11.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.144 1.535 . . . . 41.94 115.144 -165.491 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -60.62 124.91 21.8 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.676 -0.81 . . . . 23.54 110.208 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 47.98 32.92 3.08 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.946 1.698 . . . . 22.81 114.928 -175.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.03 -22.28 45.68 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.196 -0.602 . . . . 25.03 112.285 -176.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.64 164.18 37.48 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.306 -0.627 . . . . 37.53 109.306 -178.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 86.1 m -113.91 132.3 55.98 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.108 -0.701 . . . . 22.64 109.108 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' MSE . . . . . . . . . . . . . 46.2 mtp -92.71 167.47 11.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.724 0.638 . . . . 37.49 112.724 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -50.1 128.5 19.14 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.715 0.806 . . . . 39.31 112.325 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 79.57 -0.79 80.16 Favored Glycine 0 C--N 1.335 0.519 0 O-C-N 124.035 0.834 . . . . 22.63 114.727 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 94.0 m -96.81 135.0 39.4 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.994 1.109 . . . . 22.11 113.994 -173.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 96.8 p -73.64 -18.67 61.01 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 114.429 1.27 . . . . 22.26 114.429 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 2.1 m -145.66 164.59 25.07 Favored Pre-proline 0 N--CA 1.462 0.13 0 N-CA-C 109.56 -0.533 . . . . 23.77 109.56 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.25 153.37 59.81 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 121.67 1.58 . . . . 18.95 113.34 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' MSE . . . . . 0.653 'SE ' ' HE1' ' A' ' 127' ' ' MSE . 10.1 ttm -47.41 138.47 7.54 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.989 0.737 . . . . 42.25 112.989 175.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 26.8 t -105.89 128.15 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.752 -1.573 . . . . 22.22 106.752 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.21 114.04 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 108.077 -1.083 . . . . 24.3 108.077 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -156.28 162.2 40.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.742 -0.466 . . . . 31.45 109.742 -172.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -59.87 132.5 54.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 118.934 -1.106 . . . . 33.45 112.232 171.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -63.35 150.88 42.37 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.444 -1.253 . . . . 34.93 111.435 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 108.465 -0.939 . . . . 44.07 108.465 174.699 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.573 0 O5'-C5'-C4' 107.644 -1.826 . 0.0 '__' . 47.55 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.37 1 OP1-P-OP2 125.746 4.097 . 0.05 4p . 26.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.398 -2.646 0 C3'-C2'-C1' 104.186 2.984 . 0.755 6n . 26.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.591 -1.374 0 O4'-C1'-C2' 104.064 -1.668 . 0.656 1[ . 41.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' U' . . . . . 0.639 ' C4 ' ' HE2' ' A' ' 109' ' ' LYS . . . . . . . . 0 O5'--C5' 1.416 -1.504 0 C4'-C3'-C2' 106.504 3.804 OUTLIER-DELTA 0.0 OUTLIER delta 73.17 . . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' 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 0 . 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 build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . 0.528 ' O ' ' HB2' ' A' ' 144' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . 0.5 ' O ' ' HG3' ' A' ' 108' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . 0.471 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . 1.11 ' O ' ' HG3' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . 0.981 ' HB3' ' CG ' ' A' ' 69' ' ' ARG . 26.1 t . . . . . 0 N--CA 1.503 2.179 0 N-CA-C 113.808 1.04 . . . . 48.2 113.808 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.435 ' N ' ' OG ' ' A' ' 13' ' ' SER . 39.0 t70 -82.73 171.41 14.01 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.279 0.632 . . . . 51.0 109.726 178.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.78 146.33 53.83 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 118.617 0.644 . . . . 36.61 111.527 -167.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 tt -151.59 138.64 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 118.811 -1.156 . . . . 31.13 111.727 179.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -99.88 124.48 45.23 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 114.54 -1.209 . . . . 32.34 109.336 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' MSE . . . . . . . . . . . . . 92.1 mmm -106.98 139.45 41.36 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 115.164 -0.925 . . . . 36.84 109.675 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -91.14 134.19 34.74 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 115.681 -0.691 . . . . 21.88 109.719 169.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.524 HG22 ' HG3' ' A' ' 94' ' ' MSE . 25.1 t -128.84 122.11 56.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.951 -0.568 . . . . 21.02 111.783 -176.145 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.53 172.22 15.27 Favored Glycine 0 N--CA 1.47 0.957 0 N-CA-C 111.588 -0.605 . . . . 21.8 111.588 179.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 60.65 39.01 18.17 Favored 'General case' 0 C--O 1.239 0.514 0 C-N-CA 123.99 0.916 . . . . 26.41 112.383 -173.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 75.3 t -96.58 125.2 48.0 Favored Pre-proline 0 N--CA 1.453 -0.291 0 CA-C-N 114.594 -1.185 . . . . 22.93 108.697 169.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -54.21 136.38 67.96 Favored 'Trans proline' 0 N--CA 1.448 -1.157 0 C-N-CA 117.962 -0.892 . . . . 21.52 113.427 -179.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -58.86 -22.16 58.51 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.798 0.666 . . . . 24.72 112.798 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.5 p -80.05 -10.16 59.75 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.581 0.956 . . . . 27.55 113.581 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.1 m0 -80.02 140.84 36.39 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 121.557 -0.714 . . . . 27.24 111.235 -177.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -109.24 179.69 4.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.771 0.796 . . . . 28.25 109.529 173.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.77 -39.05 61.9 Favored 'General case' 0 C--O 1.247 0.944 0 CA-C-N 114.205 -1.361 . . . . 25.82 111.018 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -61.12 -48.56 81.09 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 119.487 -0.885 . . . . 39.6 111.451 -177.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -59.12 -42.5 90.74 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.73 0.776 . . . . 34.25 111.443 177.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.4 mt -67.44 -43.67 80.59 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.665 0.987 . . . . 23.64 113.665 179.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 51.6 ttm-85 -54.06 -48.07 70.98 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 109.907 -0.405 . . . . 34.77 109.907 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.09 -44.73 75.14 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.957 0.725 . . . . 45.59 112.957 177.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.82 -48.2 77.77 Favored 'General case' 0 C--O 1.248 0.978 0 O-C-N 121.909 -0.494 . . . . 29.47 111.419 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -76.19 -30.06 57.88 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 112.674 0.62 . . . . 25.36 112.674 -171.415 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -66.87 -17.02 64.69 Favored 'General case' 0 C--O 1.228 -0.054 0 O-C-N 124.498 1.124 . . . . 28.55 111.752 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -56.14 -27.39 53.95 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.132 0.79 . . . . 39.74 113.132 169.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -109.39 -25.72 10.38 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.822 0.675 . . . . 32.0 112.822 -169.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 179.28 167.91 37.46 Favored Glycine 0 N--CA 1.45 -0.431 0 N-CA-C 110.656 -0.978 . . . . 26.25 110.656 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.16 137.91 56.64 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.795 0.331 . . . . 24.88 110.703 -177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.42 124.6 68.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.611 -0.722 . . . . 25.03 111.309 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -77.02 -46.67 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.765 -0.652 . . . . 41.46 111.363 175.827 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -156.68 146.71 21.07 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 119.871 -0.732 . . . . 39.28 111.106 -174.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.461 HD13 HG23 ' A' ' 64' ' ' VAL . 14.6 mm -126.33 139.71 50.84 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 107.306 -1.368 . . . . 31.18 107.306 173.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -143.87 108.8 4.95 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.68 -1.23 . . . . 37.31 107.68 -177.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 50.0 t -75.89 131.66 34.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.286 -1.376 . . . . 22.39 107.286 175.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 6.8 mp -73.45 128.69 36.19 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 107.939 -1.134 . . . . 23.46 107.939 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -117.45 154.68 30.98 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 114.486 1.291 . . . . 28.1 114.486 -176.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -111.46 114.82 28.19 Favored 'General case' 0 C--O 1.251 1.157 0 C-N-CA 126.253 1.821 . . . . 19.85 107.544 176.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -107.94 25.53 11.45 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.337 0.865 . . . . 23.55 113.337 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.9 p -66.92 -28.14 68.06 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 121.43 -0.793 . . . . 21.84 112.91 -176.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -147.3 176.63 9.84 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.382 -0.97 . . . . 23.53 108.382 174.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -90.21 129.13 46.8 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 112.315 0.487 . . . . 31.15 112.315 -179.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -92.73 169.75 21.84 Favored 'Cis proline' 0 N--CA 1.457 -0.674 0 N-CA-C 113.636 0.591 . . . . 25.43 113.636 0.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.97 147.08 84.15 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 N-CA-C 109.304 -1.075 . . . . 23.05 109.304 171.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -135.54 143.49 45.75 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.094 -0.503 . . . . 32.12 109.911 -173.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.9 t -61.23 138.25 58.23 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 113.126 0.787 . . . . 19.23 113.126 168.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -89.85 5.6 45.49 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-N 115.647 -0.706 . . . . 23.59 111.922 175.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.84 24.43 52.96 Favored Glycine 0 N--CA 1.467 0.721 0 C-N-CA 120.387 -0.911 . . . . 19.95 110.942 170.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.8 p -155.88 163.04 40.28 Favored 'General case' 0 C--O 1.241 0.63 0 CA-C-O 121.889 0.852 . . . . 20.92 109.171 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.9 p -149.64 166.79 28.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.683 -0.69 . . . . 21.29 110.168 -177.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -108.89 135.16 50.54 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 106.865 -1.531 . . . . 22.69 106.865 167.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.461 HG23 HD13 ' A' ' 45' ' ' ILE . 3.7 p -125.72 128.13 71.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 107.524 -1.287 . . . . 21.61 107.524 171.603 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 99.8 m -107.29 116.99 32.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 106.283 -1.747 . . . . 24.44 106.283 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -92.95 150.11 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 124.166 0.916 . . . . 26.27 108.875 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -65.1 -30.37 71.31 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.705 0.631 . . . . 34.22 112.705 176.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.9 p -131.85 151.35 51.75 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 121.693 -0.63 . . . . 29.8 111.516 -175.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.981 ' CG ' ' HB3' ' A' ' 13' ' ' SER . 26.5 mtt180 -64.91 -33.66 76.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 120.038 -0.665 . . . . 49.56 110.628 175.632 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.554 ' NZ ' ' OE2' ' A' ' 74' ' ' GLU . 55.4 tttm -58.56 -44.63 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.16 -0.616 . . . . 40.39 109.683 -179.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.7 -48.02 82.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.772 0.796 . . . . 29.76 111.569 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.19 -43.41 74.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.425 -0.807 . . . . 28.55 111.343 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.2 tp -70.34 -40.88 73.84 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.74 0.781 . . . . 35.33 110.664 -176.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.554 ' OE2' ' NZ ' ' A' ' 70' ' ' LYS . 86.0 mt-10 -62.52 -39.8 94.73 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 119.407 -0.917 . . . . 42.13 111.59 177.869 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.63 -44.07 94.96 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.346 0.593 . . . . 29.51 109.829 176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -61.41 -48.94 78.93 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.67 0.747 . . . . 33.13 109.953 -178.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -59.65 -38.62 81.92 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.8 -0.76 . . . . 37.56 111.319 179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.52 -31.67 65.51 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.444 0.905 . . . . 31.48 113.444 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -114.07 -42.35 3.38 Favored 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 115.05 1.5 . . . . 29.08 115.05 -165.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -61.44 124.08 19.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.346 0.593 . . . . 30.64 109.791 -171.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.542 ' ND2' HE22 ' A' ' 93' ' ' GLN . 0.9 OUTLIER 60.79 19.36 9.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 37.36 112.579 179.727 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' MSE . . . . . . . . . . . . . 3.7 mmm -123.92 -51.28 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.484 0.92 . . . . 43.68 113.484 -177.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.0 ttmm -98.01 127.4 43.94 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 120.742 -0.383 . . . . 40.31 111.458 -174.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.8 t -100.75 115.17 41.78 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 107.882 -1.155 . . . . 30.35 107.882 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.24 156.44 87.47 Favored Pre-proline 0 C--N 1.331 -0.224 0 N-CA-C 109.3 -0.63 . . . . 33.06 109.3 179.306 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -47.43 123.8 8.46 Favored 'Trans proline' 0 C--O 1.233 0.252 0 C-N-CA 122.851 2.367 . . . . 32.61 115.165 -179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 87.14 -14.18 57.99 Favored Glycine 0 C--N 1.332 0.341 0 CA-C-N 115.57 -0.741 . . . . 31.57 113.738 177.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' MSE . . . . . . . . . . . . . 29.0 mmt -79.18 155.29 28.71 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 118.977 -1.089 . . . . 32.18 109.365 -177.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 59.1 m170 -110.87 3.2 18.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.514 -0.312 . . . . 33.75 110.759 177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -140.84 153.49 67.66 Favored Pre-proline 0 N--CA 1.452 -0.373 0 N-CA-C 108.025 -1.102 . . . . 37.23 108.025 175.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -75.91 156.35 38.97 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.216 1.944 . . . . 27.31 112.657 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.8 mt -45.5 138.31 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.245 0.835 0 CA-C-N 113.989 -1.46 . . . . 25.65 111.183 173.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.542 HE22 ' ND2' ' A' ' 81' ' ' ASN . 93.1 mm-40 -118.11 127.03 53.39 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 106.533 -1.654 . . . . 31.08 106.533 174.648 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' MSE . . . . . 0.524 ' HG3' HG22 ' A' ' 20' ' ' VAL . 2.0 ttt -135.7 131.55 35.8 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.915 -0.402 . . . . 42.76 109.915 -172.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -159.41 163.39 23.51 Favored Pre-proline 0 C--O 1.237 0.403 0 N-CA-C 108.938 -0.764 . . . . 39.86 108.938 178.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -62.85 142.79 90.01 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 117.35 -1.3 . . . . 29.06 110.495 -178.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.7 155.58 37.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 123.778 0.674 . . . . 27.38 111.21 -176.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -61.02 -34.88 75.53 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.355 -0.384 . . . . 30.0 110.772 178.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.1 p -63.59 -16.32 60.54 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.582 0.586 . . . . 32.95 112.582 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -88.07 -12.56 43.86 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.003 -0.436 . . . . 43.74 110.518 -177.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -60.46 124.61 20.86 Favored 'General case' 0 N--CA 1.448 -0.531 0 N-CA-C 107.71 -1.219 . . . . 52.1 107.71 -177.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -105.67 -80.2 0.55 Allowed 'General case' 0 N--CA 1.418 -2.044 0 N-CA-C 115.13 1.53 . . . . 55.7 115.13 -171.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.535 ' O ' ' C ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -77.27 67.93 3.31 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 119.923 -0.711 . . . . 53.69 111.794 177.901 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 103' ' ' ASN . . . -43.87 131.67 5.5 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 117.456 -1.697 . . . . 49.68 106.957 176.562 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.14 -40.67 78.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.97 -0.752 . . . . 51.31 108.97 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLU . . . . . 1.11 ' HG3' ' O ' ' A' ' 254' ' ' HOH . 5.3 mt-10 -56.41 -20.47 19.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.783 0.66 . . . . 59.69 112.783 -176.059 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -108.04 13.46 26.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.011 0.434 . . . . 50.5 111.272 -176.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.5 ' HG3' ' O ' ' A' ' 234' ' ' HOH . 21.3 mtm180 -128.63 6.55 5.66 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 108.48 -0.934 . . . . 49.87 108.48 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.639 ' HE2' ' C4 ' ' B' ' 5' ' ' ' U' . 5.9 tttp -112.67 132.55 55.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.968 -0.56 . . . . 42.68 110.308 -168.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 87.0 mt -104.95 137.98 41.88 Favored 'General case' 0 CA--C 1.514 -0.425 0 O-C-N 124.032 0.832 . . . . 31.65 112.284 179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -87.96 125.59 34.61 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.762 -0.829 . . . . 26.41 108.762 161.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 12.4 mm -111.06 114.92 48.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 106.338 -1.727 . . . . 24.62 106.338 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -110.47 171.9 15.05 Favored Glycine 0 CA--C 1.508 -0.399 0 N-CA-C 110.99 -0.844 . . . . 21.17 110.99 176.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' MSE . . . . . . . . . . . . . 35.6 mmt 54.23 47.74 22.4 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 124.165 0.568 . . . . 27.52 110.587 177.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 40.4 pt -102.02 155.18 4.92 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 N-CA-C 107.899 -1.149 . . . . 25.57 107.899 167.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 11.6 t -58.58 142.89 47.95 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.553 -0.749 . . . . 28.64 109.5 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 49.9 mttp -69.07 -12.95 62.14 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 119.868 -0.733 . . . . 41.06 112.909 177.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -83.99 -14.62 50.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.809 0.338 . . . . 43.29 110.263 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' CYS . . . . . . . . . . . . . 5.0 m -58.83 130.12 45.41 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 122.65 1.214 . . . . 35.49 114.017 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . 0.799 ' CG2' ' H ' ' A' ' 122' ' ' ASN . 0.7 OUTLIER -96.87 161.46 13.84 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 112.97 -1.923 . . . . 36.21 111.171 -179.023 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 120' ' ' THR . 55.6 tt0 -54.09 -40.03 66.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 119.327 -0.949 . . . . 44.44 109.007 172.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.799 ' H ' ' CG2' ' A' ' 120' ' ' THR . 50.6 t30 -66.59 -42.49 86.87 Favored 'General case' 0 C--N 1.333 -0.113 0 C-N-CA 120.306 -0.558 . . . . 40.63 111.913 -178.017 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.697 ' H ' HG22 ' A' ' 120' ' ' THR . 84.2 m-20 -51.43 -46.97 63.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 39.72 111.945 174.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 32.5 mm -69.65 -43.22 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 108.977 -0.749 . . . . 35.88 108.977 -176.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.471 ' NH2' ' O ' ' A' ' 253' ' ' HOH . 72.0 mtt-85 -53.5 -45.99 69.88 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 121.093 0.473 . . . . 41.77 110.994 178.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.47 -42.96 98.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.772 -0.649 . . . . 39.43 111.58 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' MSE . . . . . 0.653 ' HE1' 'SE ' ' A' ' 181' ' ' MSE . 7.9 mtp -62.44 -32.26 73.09 Favored 'General case' 0 CA--C 1.515 -0.394 0 C-N-CA 120.311 -0.556 . . . . 51.48 110.885 -176.935 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -110.66 2.32 18.49 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.795 1.035 . . . . 38.14 113.795 -171.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 125' ' ' ARG . 12.1 p -69.06 -23.89 64.1 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.217 0.821 . . . . 42.46 113.217 -174.987 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 p -68.98 -13.56 62.52 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.703 0.631 . . . . 43.76 112.703 -178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -96.99 -8.2 31.1 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 114.449 1.277 . . . . 44.61 114.449 -175.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.954 ' HA3' 'SE ' ' A' ' 160' ' ' MSE . . . 151.09 -178.01 28.74 Favored Glycine 0 CA--C 1.51 -0.269 0 C-N-CA 120.441 -0.885 . . . . 45.56 111.954 178.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -77.72 130.72 37.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.248 0.547 . . . . 51.45 110.511 179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 82.0 mt -100.65 115.01 41.29 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.642 0 CA-C-N 115.169 -0.923 . . . . 44.82 108.905 -179.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -83.52 -24.06 31.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.478 -0.783 . . . . 49.49 111.234 -177.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -160.71 148.57 16.01 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 121.321 0.582 . . . . 51.86 111.51 175.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 45.7 t -149.86 119.07 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 106.978 -1.49 . . . . 41.04 106.978 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.542 HH11 ' HB3' ' A' ' 138' ' ' ARG . 1.6 ttm105 -128.99 125.32 37.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.514 -0.767 . . . . 54.93 110.491 -179.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 34.5 mm -80.57 129.73 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 107.96 -1.126 . . . . 35.77 107.96 167.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.581 HD11 ' CD2' ' A' ' 152' ' ' PHE . 6.5 mp -76.37 127.71 33.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.716 0.77 . . . . 37.99 109.677 172.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 93.2 mtt-85 -129.03 152.44 48.63 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.947 -0.76 . . . . 37.43 108.947 -177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' GLY . . . . . . . . . . . . . . . -91.35 -170.72 42.53 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 109.876 -1.29 . . . . 41.42 109.876 177.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -58.57 -34.45 98.84 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.42 2.747 . . . . 44.34 114.646 -171.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' A' ' 233' ' ' HOH . 60.0 m-20 -93.09 17.74 10.41 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.231 0.826 . . . . 49.78 113.231 -179.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 75.28 1.88 65.64 Favored Glycine 0 N--CA 1.466 0.671 0 N-CA-C 113.574 0.19 . . . . 39.96 113.574 178.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' LEU . . . . . . . . . . . . . 77.8 mt -73.14 131.81 42.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.257 0.551 . . . . 39.09 109.593 176.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' SER . . . . . . . . . . . . . 47.8 t -56.76 140.41 47.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.767 -1.106 . . . . 32.45 110.755 177.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' ARG . . . . . . . . . . . . . 43.6 mtt180 -88.94 10.29 21.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.793 0.806 . . . . 54.89 109.581 171.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 73.11 26.86 69.69 Favored Glycine 0 C--O 1.228 -0.222 0 C-N-CA 120.6 -0.81 . . . . 27.69 112.381 174.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' CYS . . . . . . . . . . . . . 24.9 p -152.4 166.78 30.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.427 -0.455 . . . . 25.89 112.164 174.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -148.67 163.06 38.42 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.018 0.437 . . . . 26.96 111.433 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.581 ' CD2' HD11 ' A' ' 140' ' ' LEU . 76.3 m-85 -114.42 134.73 54.77 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.178 -0.919 . . . . 36.06 109.729 165.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.2 t -126.57 122.97 62.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.115 -0.698 . . . . 32.39 109.115 176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' THR . . . . . . . . . . . . . 43.9 m -107.95 123.17 48.22 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.017 -1.105 . . . . 37.13 108.017 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' PHE . . . . . 0.556 ' HB3' ' HE3' ' A' ' 160' ' ' MSE . 57.7 m-85 -94.98 171.51 8.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 106.993 -1.484 . . . . 39.74 106.993 174.602 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' THR . . . . . 0.818 ' OG1' ' HE1' ' A' ' 160' ' ' MSE . 69.3 p -80.15 -26.5 39.33 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.211 -0.596 . . . . 43.97 110.153 -177.809 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' THR . . . . . 0.43 ' H ' ' CE ' ' A' ' 160' ' ' MSE . 13.8 p -133.97 132.55 40.3 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.037 0.535 . . . . 45.59 111.898 178.763 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' ARG . . . . . 0.415 ' N ' ' HG2' ' A' ' 108' ' ' ARG . 47.4 ttt85 -48.73 -36.81 17.15 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.891 0.377 . . . . 45.06 111.369 176.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -48.68 -43.39 36.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.414 -0.357 . . . . 43.31 111.66 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' MSE . . . . . 0.954 'SE ' ' HA3' ' A' ' 132' ' ' GLY . 66.1 mtm -71.79 -26.58 62.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.548 -0.296 . . . . 53.45 111.605 179.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' ALA . . . . . . . . . . . . . . . -74.02 -44.15 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.938 -0.394 . . . . 40.43 109.938 -179.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -58.57 -41.74 86.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.245 -0.434 . . . . 46.37 111.928 174.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' THR . . . . . . . . . . . . . 54.9 m -62.24 -43.66 98.32 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.079 -0.388 . . . . 38.65 111.708 178.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' ALA . . . . . . . . . . . . . . . -60.8 -42.63 97.97 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 112.565 0.58 . . . . 33.92 112.565 176.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 72.3 mt -58.19 -52.29 60.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.637 0.732 . . . . 31.33 111.219 179.218 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -61.67 -36.68 81.54 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.985 -0.552 . . . . 41.53 111.009 -177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -81.53 -32.22 32.42 Favored 'General case' 0 N--CA 1.446 -0.652 0 N-CA-C 113.068 0.766 . . . . 30.26 113.068 -176.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' MSE . . . . . 0.447 ' CE ' ' HE3' ' A' ' 127' ' ' MSE . 80.0 mmm -113.28 -20.72 11.28 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.144 1.535 . . . . 41.94 115.144 -165.491 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -60.62 124.91 21.8 Favored 'General case' 0 C--O 1.241 0.647 0 C-N-CA 119.676 -0.81 . . . . 23.54 110.208 -178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 47.98 32.92 3.08 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 125.946 1.698 . . . . 22.81 114.928 -175.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -79.03 -22.28 45.68 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.196 -0.602 . . . . 25.03 112.285 -176.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -157.64 164.18 37.48 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 109.306 -0.627 . . . . 37.53 109.306 -178.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' THR . . . . . . . . . . . . . 86.1 m -113.91 132.3 55.98 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.108 -0.701 . . . . 22.64 109.108 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' MSE . . . . . . . . . . . . . 46.2 mtp -92.71 167.47 11.86 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.724 0.638 . . . . 37.49 112.724 -178.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 66.7 tt0 -50.1 128.5 19.14 Favored 'General case' 0 C--O 1.24 0.572 0 C-N-CA 123.715 0.806 . . . . 39.31 112.325 179.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' GLY . . . . . . . . . . . . . . . 79.57 -0.79 80.16 Favored Glycine 0 C--N 1.335 0.519 0 O-C-N 124.035 0.834 . . . . 22.63 114.727 173.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' CYS . . . . . . . . . . . . . 94.0 m -96.81 135.0 39.4 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 113.994 1.109 . . . . 22.11 113.994 -173.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 96.8 p -73.64 -18.67 61.01 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 114.429 1.27 . . . . 22.26 114.429 -175.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 2.1 m -145.66 164.59 25.07 Favored Pre-proline 0 N--CA 1.462 0.13 0 N-CA-C 109.56 -0.533 . . . . 23.77 109.56 -176.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -60.25 153.37 59.81 Favored 'Trans proline' 0 CA--C 1.544 0.992 0 C-N-CA 121.67 1.58 . . . . 18.95 113.34 177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' MSE . . . . . 0.653 'SE ' ' HE1' ' A' ' 127' ' ' MSE . 10.1 ttm -47.41 138.47 7.54 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.989 0.737 . . . . 42.25 112.989 175.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' VAL . . . . . . . . . . . . . 26.8 t -105.89 128.15 60.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 106.752 -1.573 . . . . 22.22 106.752 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 48.3 t -136.21 114.04 14.53 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.67 0 N-CA-C 108.077 -1.083 . . . . 24.3 108.077 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -156.28 162.2 40.14 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.742 -0.466 . . . . 31.45 109.742 -172.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -59.87 132.5 54.16 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 118.934 -1.106 . . . . 33.45 112.232 171.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' ALA . . . . . . . . . . . . . . . -63.35 150.88 42.37 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 114.444 -1.253 . . . . 34.93 111.435 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 . . . . . 0 C--N 1.327 -0.37 0 N-CA-C 108.465 -0.939 . . . . 44.07 108.465 174.699 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.573 0 O5'-C5'-C4' 107.644 -1.826 . 0.0 '__' . 47.55 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.418 -1.37 1 OP1-P-OP2 125.746 4.097 . 0.05 4p . 26.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.398 -2.646 0 C3'-C2'-C1' 104.186 2.984 . 0.755 6n . 26.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.591 -1.374 0 O4'-C1'-C2' 104.064 -1.668 . 0.656 1[ . 41.52 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.639 ' C4 ' ' HE2' ' A' ' 109' ' ' LYS . . . . . . . . 0 O5'--C5' 1.416 -1.504 0 C4'-C3'-C2' 106.504 3.804 OUTLIER-DELTA 0.0 OUTLIER delta 73.17 . . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' U' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.95 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' 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 0 . 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 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . 0.528 ' O ' ' HB2' ' A' ' 144' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . 0.5 ' O ' ' HG3' ' A' ' 108' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . 0.471 ' O ' ' NH2' ' A' ' 125' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . 1.11 ' O ' ' HG3' ' A' ' 106' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_