==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-SEP-11 3TQE . COMPND 2 MOLECULE: MALONYL-COA-[ACYL-CARRIER-PROTEIN] TRANSACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR M.C.FRANKLIN,J.CHEUNG,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN . 318 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 1 1 0 2 2 2 1 1 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -2 A S 0 0 166 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.8 94.2 20.3 8.3 2 -1 A Y - 0 0 178 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.190 360.0-179.6 -54.8 130.7 92.3 20.2 11.6 3 0 A V - 0 0 74 3,-0.0 -1,-0.0 0, 0.0 3,-0.0 -0.993 28.8-126.9-129.6 125.4 89.4 22.5 11.9 4 1 A X - 0 0 140 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.557 33.7-122.2 -70.1 124.5 87.5 22.6 15.1 5 2 A P - 0 0 63 0, 0.0 310,-0.2 0, 0.0 2,-0.2 -0.313 24.5-103.4 -67.8 151.4 83.9 22.1 14.1 6 3 A Q - 0 0 72 308,-2.5 2,-0.2 307,-0.1 267,-0.1 -0.497 38.7-115.4 -65.0 139.1 81.3 24.6 15.1 7 4 A S + 0 0 54 265,-0.2 268,-0.5 -2,-0.2 267,-0.4 -0.515 44.2 179.9 -72.2 147.4 79.2 23.5 18.0 8 5 A F - 0 0 4 -2,-0.2 82,-2.6 80,-0.1 83,-0.8 -0.987 23.6-143.0-152.7 159.5 75.5 23.0 17.1 9 6 A A E -ab 91 276A 0 266,-2.1 268,-2.6 -2,-0.3 2,-0.5 -0.902 14.5-136.8-120.8 146.5 72.2 22.0 18.4 10 7 A F E -ab 92 277A 0 81,-2.1 83,-2.0 -2,-0.3 2,-0.4 -0.922 18.4-165.0 -98.7 132.9 69.4 20.0 16.8 11 8 A V E -ab 93 278A 0 266,-2.9 268,-2.8 -2,-0.5 83,-0.2 -0.974 6.4-151.4-119.3 131.5 65.9 21.4 17.3 12 9 A F E -a 94 0A 0 81,-2.1 83,-2.6 -2,-0.4 86,-0.2 -0.898 11.8-136.0-111.1 120.8 63.0 19.2 16.5 13 10 A P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 61,-0.1 -0.306 20.8-176.9 -76.0 158.6 59.7 20.6 15.4 14 11 A G > + 0 0 5 1,-0.4 3,-1.9 83,-0.1 4,-0.2 -0.299 48.4 0.0-123.3-151.3 56.3 19.7 16.6 15 12 A Q T 3 S+ 0 0 53 303,-0.3 -1,-0.4 1,-0.3 83,-0.1 -0.028 120.0 35.9 -41.2 136.1 52.6 20.6 15.8 16 13 A G T 3 S+ 0 0 37 -3,-0.1 -1,-0.3 302,-0.0 45,-0.0 0.051 97.6 82.9 104.4 -24.8 52.2 23.2 13.1 17 14 A S < + 0 0 2 -3,-1.9 2,-0.2 265,-0.1 -2,-0.1 0.497 67.2 103.2 -91.6 -2.7 55.1 21.9 11.1 18 15 A Q + 0 0 26 -4,-0.2 2,-0.3 42,-0.1 48,-0.0 -0.561 41.3 162.2 -81.9 144.4 53.2 19.2 9.3 19 16 A H > - 0 0 76 -2,-0.2 3,-1.9 33,-0.0 -2,-0.0 -0.982 45.0 -89.9-153.9 150.2 52.0 19.5 5.8 20 17 A L T 3 S+ 0 0 55 -2,-0.3 33,-0.2 1,-0.3 32,-0.1 -0.377 112.6 21.3 -58.9 139.1 50.8 17.2 3.1 21 18 A G T > S+ 0 0 26 31,-2.5 3,-1.9 1,-0.2 -1,-0.3 0.461 84.4 163.4 81.2 4.7 53.7 16.0 0.9 22 19 A X T < + 0 0 1 -3,-1.9 -1,-0.2 30,-0.4 -4,-0.0 -0.193 66.5 10.6 -58.0 146.6 56.3 16.7 3.5 23 20 A L T 3> S+ 0 0 14 1,-0.1 4,-2.9 279,-0.1 -1,-0.3 0.583 84.0 134.6 62.1 13.8 59.6 15.0 2.9 24 21 A A H <> S+ 0 0 39 -3,-1.9 4,-1.4 1,-0.2 5,-0.2 0.937 74.0 43.9 -58.9 -43.5 58.6 14.0 -0.6 25 22 A E H >> S+ 0 0 106 -4,-0.3 4,-2.0 1,-0.2 3,-0.7 0.962 115.1 46.7 -65.8 -49.7 61.9 15.0 -2.1 26 23 A L H 3> S+ 0 0 0 276,-0.5 4,-2.7 1,-0.3 7,-0.3 0.874 108.4 58.7 -60.8 -35.2 64.0 13.5 0.7 27 24 A G H 3< S+ 0 0 8 -4,-2.9 7,-0.3 1,-0.2 -1,-0.3 0.807 107.2 46.1 -64.1 -30.1 61.9 10.4 0.4 28 25 A L H << S+ 0 0 156 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.857 118.6 42.5 -73.4 -38.1 62.9 10.1 -3.3 29 26 A Q H < S+ 0 0 71 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.805 115.6 43.2 -78.3 -36.3 66.5 10.7 -2.5 30 27 A Q >X - 0 0 35 -4,-2.7 3,-2.1 -5,-0.2 4,-0.6 -0.928 58.3-158.6-127.5 109.7 67.1 8.7 0.6 31 28 A P H 3> S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.760 90.1 72.7 -53.2 -27.1 65.8 5.1 1.1 32 29 A I H 3> S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.793 89.3 61.6 -64.1 -25.6 66.0 5.6 4.9 33 30 A V H <> S+ 0 0 0 -3,-2.1 4,-2.3 -7,-0.3 -1,-0.2 0.974 108.0 40.2 -63.9 -52.2 63.0 7.9 4.8 34 31 A L H X S+ 0 0 65 -4,-0.6 4,-2.5 -7,-0.3 -2,-0.2 0.892 114.0 54.7 -66.5 -37.0 60.7 5.3 3.5 35 32 A E H X S+ 0 0 90 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.905 109.0 48.7 -60.5 -39.9 62.2 2.7 5.7 36 33 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.920 111.9 47.5 -67.0 -43.8 61.6 4.9 8.7 37 34 A F H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 11,-0.4 0.861 109.2 55.6 -65.6 -33.4 58.0 5.5 7.7 38 35 A Q H X S+ 0 0 108 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 106.9 49.8 -63.4 -41.9 57.6 1.7 7.2 39 36 A Q H X S+ 0 0 47 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.927 112.9 46.4 -60.0 -47.9 58.8 1.2 10.7 40 37 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.917 110.7 52.8 -60.9 -42.7 56.2 3.7 11.9 41 38 A S H X>S+ 0 0 16 -4,-2.8 4,-2.2 1,-0.2 5,-0.5 0.846 105.5 54.0 -63.6 -36.0 53.5 2.2 9.8 42 39 A S H <5S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.1 45.2 -65.0 -36.5 54.2 -1.2 11.2 43 40 A A H <5S+ 0 0 20 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.867 120.3 38.9 -71.2 -36.2 53.7 0.2 14.7 44 41 A L H <5S- 0 0 14 -4,-2.2 -2,-0.2 2,-0.3 -1,-0.2 0.644 100.4-130.8 -88.5 -25.1 50.6 2.2 13.8 45 42 A A T <5S+ 0 0 95 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.564 78.1 79.2 76.1 16.9 49.0 -0.4 11.5 46 43 A Y S - 0 0 92 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.648 39.1-178.1 -84.7 97.7 50.5 3.4 5.9 48 45 A L H > S+ 0 0 0 -2,-1.2 4,-2.6 -11,-0.4 5,-0.2 0.873 79.5 55.3 -66.9 -37.8 51.8 6.6 7.4 49 46 A W H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.948 107.7 50.0 -61.3 -43.4 53.7 7.7 4.4 50 47 A A H >>S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.904 110.9 50.0 -60.6 -39.3 50.5 7.4 2.3 51 48 A L H X5S+ 0 0 17 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.936 113.1 45.0 -65.7 -45.3 48.7 9.5 4.8 52 49 A V H <5S+ 0 0 0 -4,-2.6 -31,-2.5 1,-0.2 -30,-0.4 0.854 118.2 43.4 -69.4 -33.3 51.3 12.2 4.9 53 50 A Q H <5S+ 0 0 30 -4,-2.7 -2,-0.2 -33,-0.2 -1,-0.2 0.876 131.5 18.3 -78.0 -38.2 51.7 12.3 1.1 54 51 A H H <5S+ 0 0 155 -4,-2.5 -3,-0.2 -5,-0.2 3,-0.2 0.564 89.8 154.0-117.8 -13.9 48.1 12.2 0.1 55 52 A G << - 0 0 17 -4,-2.2 -1,-0.2 -5,-0.5 2,-0.2 -0.409 58.4-117.6 77.9-143.4 46.1 13.2 3.2 56 53 A P >> - 0 0 51 0, 0.0 4,-2.2 0, 0.0 3,-0.8 0.379 34.6-128.7 -70.5 165.5 43.5 14.4 3.2 57 54 A Q H 3> S+ 0 0 87 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.887 108.1 55.2 -48.8 -48.6 44.6 17.6 4.9 58 55 A E H 34 S+ 0 0 128 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.818 107.7 51.0 -59.0 -33.9 42.0 17.3 7.6 59 56 A R H X4 S+ 0 0 90 -3,-0.8 3,-1.8 2,-0.2 6,-0.3 0.955 109.3 48.0 -69.4 -54.5 43.2 13.8 8.4 60 57 A L H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.850 108.2 57.0 -57.6 -32.4 46.8 14.8 8.8 61 58 A D T 3< S+ 0 0 63 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.3 0.535 80.8 102.7 -81.7 -5.8 45.9 17.7 10.9 62 59 A Q S X> S- 0 0 70 -3,-1.8 4,-2.4 -4,-0.3 3,-2.2 -0.671 80.9-124.8 -77.4 134.2 44.1 15.6 13.5 63 60 A T H 3> S+ 0 0 7 -2,-0.4 4,-2.2 1,-0.3 60,-0.2 0.785 106.3 60.0 -53.4 -40.8 46.3 15.2 16.6 64 61 A Q H 34 S+ 0 0 62 58,-0.3 -1,-0.3 1,-0.2 59,-0.2 0.764 117.6 32.8 -66.3 -20.9 46.4 11.4 16.6 65 62 A F H <> S+ 0 0 30 -3,-2.2 4,-2.2 -6,-0.3 -2,-0.2 0.785 114.0 58.0 -95.0 -41.1 47.9 11.5 13.1 66 63 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 -7,-0.2 5,-0.3 0.899 103.4 54.6 -57.9 -43.1 49.9 14.7 13.3 67 64 A Q H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.961 112.9 37.0 -64.4 -53.5 51.9 13.5 16.3 68 65 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.875 116.0 57.1 -65.2 -30.9 53.2 10.2 14.8 69 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.936 112.0 40.2 -61.9 -48.1 53.6 11.8 11.4 70 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.886 113.1 53.2 -73.4 -37.8 55.9 14.5 12.8 71 68 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.954 113.2 45.6 -58.1 -44.4 57.8 12.2 15.1 72 69 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.919 113.1 49.0 -66.3 -43.5 58.5 10.0 12.1 73 70 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.928 112.7 47.8 -61.7 -44.9 59.4 12.9 9.8 74 71 A D H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.920 114.4 45.5 -64.6 -45.3 61.8 14.3 12.4 75 72 A V H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.898 109.6 55.7 -66.4 -38.9 63.4 11.0 13.0 76 73 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.915 108.7 47.9 -57.1 -44.0 63.7 10.3 9.3 77 74 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 109.9 52.1 -67.1 -41.2 65.6 13.6 8.8 78 75 A F H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 109.0 50.5 -57.8 -41.1 67.9 12.7 11.7 79 76 A R H X S+ 0 0 61 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.847 109.0 51.0 -67.9 -33.3 68.6 9.4 10.1 80 77 A C H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 6,-0.2 0.902 107.6 53.8 -67.7 -42.6 69.4 11.1 6.8 81 78 A W H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.944 112.8 43.3 -52.7 -50.4 71.8 13.5 8.6 82 79 A E H ><5S+ 0 0 71 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.918 112.2 53.0 -66.1 -39.1 73.6 10.5 10.1 83 80 A A H 3<5S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 106.9 53.0 -64.3 -30.8 73.5 8.6 6.8 84 81 A L T 3<5S- 0 0 42 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.318 130.5 -92.0 -91.3 7.9 75.1 11.5 5.0 85 82 A G T < 5 + 0 0 54 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.572 68.9 159.8 97.8 14.5 77.9 11.7 7.4 86 83 A G < - 0 0 9 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.0 -0.448 32.5-132.3 -75.9 139.3 76.6 14.2 10.0 87 84 A P - 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.264 33.9 -81.6 -80.9 172.2 78.1 14.2 13.4 88 85 A K - 0 0 107 1,-0.1 -80,-0.1 -2,-0.0 2,-0.0 -0.502 45.4-120.0 -75.4 140.3 76.3 14.3 16.7 89 86 A P - 0 0 5 0, 0.0 -80,-0.2 0, 0.0 3,-0.1 -0.334 14.4-125.4 -69.9 163.5 74.9 17.6 17.9 90 87 A Q S S+ 0 0 84 -82,-2.6 2,-0.3 1,-0.2 -81,-0.2 0.765 89.7 1.9 -77.9 -27.9 76.1 18.9 21.2 91 88 A V E -a 9 0A 11 -83,-0.8 -81,-2.1 139,-0.1 2,-0.3 -0.981 64.3-152.1-156.3 157.0 72.6 19.3 22.4 92 89 A X E +ac 10 232A 0 139,-2.3 141,-2.6 -2,-0.3 2,-0.3 -0.965 12.1 174.1-130.9 151.9 69.0 18.7 21.3 93 90 A A E -a 11 0A 0 -83,-2.0 -81,-2.1 -2,-0.3 2,-0.4 -0.971 10.4-160.6-152.1 146.6 65.7 20.2 22.1 94 91 A G E -a 12 0A 0 139,-0.5 2,-0.8 -2,-0.3 5,-0.3 -0.976 24.0-120.0-129.7 148.7 62.3 19.6 20.7 95 92 A H S > S- 0 0 16 -83,-2.6 3,-2.3 -2,-0.4 2,-0.5 -0.744 70.6 -61.2 -93.4 109.1 59.2 21.7 20.7 96 93 A S T >> S+ 0 0 0 -2,-0.8 3,-1.7 1,-0.3 4,-0.5 -0.361 140.9 22.3 57.6-103.8 56.4 19.8 22.5 97 94 A L H >> S+ 0 0 0 -2,-0.5 3,-1.7 221,-0.4 4,-1.0 0.876 118.6 69.2 -54.9 -34.1 56.0 16.7 20.4 98 95 A G H <> S+ 0 0 0 -3,-2.3 4,-2.4 1,-0.3 -1,-0.3 0.753 82.9 70.6 -59.2 -24.0 59.5 17.4 19.1 99 96 A E H <> S+ 0 0 0 -3,-1.7 4,-2.2 -5,-0.3 -1,-0.3 0.872 95.7 53.2 -63.2 -31.2 60.9 16.5 22.5 100 97 A Y H S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 6,-1.3 0.874 110.9 48.6 -68.3 -33.9 64.6 11.5 22.9 104 101 A V H ><5S+ 0 0 16 -4,-2.1 3,-1.4 4,-0.2 -2,-0.2 0.950 114.3 45.5 -65.1 -46.5 64.5 9.0 20.1 105 102 A C H 3<5S+ 0 0 13 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.828 109.3 55.4 -72.3 -24.8 67.5 10.5 18.3 106 103 A A T 3<5S- 0 0 3 -4,-2.4 123,-3.4 -5,-0.2 124,-0.3 0.461 118.6-112.3 -80.8 -5.9 69.4 10.8 21.6 107 104 A G T < 5S+ 0 0 34 -3,-1.4 -3,-0.2 2,-0.2 119,-0.1 0.584 87.6 113.9 86.6 13.7 68.9 7.1 22.1 108 105 A A S - 0 0 117 114,-0.4 4,-2.7 -2,-0.4 5,-0.2 -0.567 29.3-128.6 -70.6 132.7 63.0 3.2 20.9 111 108 A F H > S+ 0 0 9 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.901 104.5 45.8 -51.4 -53.8 61.5 4.7 17.7 112 109 A E H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 114.0 50.4 -68.1 -30.4 58.6 2.3 17.2 113 110 A E H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 110.5 50.1 -67.4 -41.2 57.7 2.5 20.9 114 111 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.866 106.0 56.2 -64.6 -37.8 57.8 6.3 20.7 115 112 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.940 110.8 43.6 -58.3 -48.3 55.6 6.2 17.6 116 113 A K H X S+ 0 0 107 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.902 113.3 52.9 -64.1 -39.0 52.9 4.3 19.5 117 114 A L H X S+ 0 0 9 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.895 109.3 46.6 -65.7 -42.4 53.4 6.5 22.5 118 115 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.813 107.0 57.9 -76.2 -25.1 52.9 9.7 20.6 119 116 A E H X S+ 0 0 36 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.942 110.6 44.3 -60.6 -44.7 49.8 8.3 18.9 120 117 A K H X S+ 0 0 75 -4,-2.0 4,-3.5 2,-0.2 5,-0.3 0.913 109.7 55.7 -64.7 -41.4 48.4 7.8 22.4 121 118 A R H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.934 111.0 44.7 -55.5 -47.2 49.6 11.2 23.4 122 119 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -58,-0.3 0.927 113.9 49.5 -62.6 -46.3 47.6 12.7 20.5 123 120 A Q H X S+ 0 0 55 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.945 113.8 44.8 -58.9 -47.7 44.6 10.6 21.2 124 121 A Y H X S+ 0 0 26 -4,-3.5 4,-0.7 1,-0.2 -1,-0.2 0.894 112.8 50.4 -67.2 -41.4 44.5 11.4 24.9 125 122 A X H >X S+ 0 0 3 -4,-2.4 3,-0.9 -5,-0.3 4,-0.5 0.910 107.9 54.0 -63.1 -39.2 45.1 15.1 24.3 126 123 A Q H 3< S+ 0 0 73 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.822 111.8 45.5 -59.9 -34.7 42.3 15.2 21.8 127 124 A E H 3< S+ 0 0 123 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.538 90.0 85.3 -88.0 -8.7 39.9 13.7 24.3 128 125 A A H << S+ 0 0 21 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.1 0.851 95.6 31.8 -68.4 -37.4 40.8 15.8 27.3 129 126 A V S < S- 0 0 19 -4,-0.5 5,-0.1 -3,-0.3 -1,-0.1 -0.973 92.9-107.2-123.3 133.2 38.5 18.7 26.5 130 127 A P > - 0 0 72 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.221 54.5 -76.8 -61.4 149.2 35.2 18.4 24.8 131 128 A V T 3 S+ 0 0 140 1,-0.3 71,-0.0 2,-0.1 -4,-0.0 -0.111 117.0 9.1 -41.7 128.1 35.0 19.7 21.3 132 129 A G T 3 S+ 0 0 48 2,-0.1 -1,-0.3 -3,-0.1 45,-0.1 0.255 102.7 96.8 85.9 -13.6 34.8 23.5 21.1 133 130 A E S < S+ 0 0 97 -3,-2.4 44,-2.3 44,-0.1 2,-0.3 0.646 79.1 51.9 -88.1 -15.5 35.5 24.1 24.8 134 131 A G E +E 176 0B 2 -4,-0.4 2,-0.3 42,-0.3 42,-0.2 -0.788 60.3 170.5-118.0 164.8 39.2 24.7 24.5 135 132 A A E -E 175 0B 0 40,-2.3 40,-2.0 -2,-0.3 2,-0.3 -0.985 20.7-143.9-160.8 164.6 41.4 27.0 22.4 136 133 A X E -E 174 0B 8 62,-0.5 62,-2.3 64,-0.4 2,-0.3 -0.967 18.1-169.3-131.7 152.3 44.8 28.4 21.9 137 134 A G E -EF 173 197B 0 36,-2.3 36,-3.0 -2,-0.3 2,-0.4 -0.999 16.6-133.4-145.4 145.2 45.8 31.8 20.8 138 135 A A E -EF 172 196B 21 58,-2.8 58,-2.3 -2,-0.3 2,-0.5 -0.826 16.4-168.7-100.8 133.9 48.9 33.6 19.7 139 136 A I E -EF 171 195B 0 32,-2.9 32,-2.4 -2,-0.4 2,-0.5 -0.991 4.2-172.4-122.8 124.4 49.9 36.9 21.1 140 137 A I E +EF 170 194B 47 54,-2.8 53,-2.0 -2,-0.5 54,-1.6 -0.978 63.6 27.3-119.9 128.0 52.7 38.9 19.4 141 138 A G S S+ 0 0 30 28,-2.8 2,-0.3 -2,-0.5 29,-0.1 0.404 93.5 90.5 109.5 0.9 54.1 42.1 20.8 142 139 A L S S- 0 0 7 27,-0.4 -1,-0.4 -3,-0.1 2,-0.1 -0.910 70.9-117.9-119.5 154.9 53.7 41.8 24.6 143 140 A N > - 0 0 76 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.334 31.4-102.4 -88.0 170.8 56.1 40.3 27.1 144 141 A E H > S+ 0 0 71 24,-0.3 4,-3.1 1,-0.2 5,-0.2 0.887 120.3 53.3 -61.8 -41.5 55.4 37.2 29.3 145 142 A A H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 110.2 47.6 -58.5 -44.2 54.7 39.3 32.4 146 143 A E H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 114.4 46.9 -64.1 -43.0 52.1 41.4 30.6 147 144 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.880 108.8 53.6 -70.2 -39.2 50.5 38.3 29.2 148 145 A E H X S+ 0 0 79 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.922 110.1 48.6 -58.6 -42.7 50.5 36.5 32.6 149 146 A S H X S+ 0 0 55 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.921 111.1 50.2 -63.2 -45.6 48.7 39.5 34.0 150 147 A I H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.921 109.4 50.7 -56.7 -47.2 46.2 39.5 31.2 151 148 A C H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.924 108.8 51.3 -62.2 -39.9 45.5 35.9 31.6 152 149 A E H X S+ 0 0 144 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.898 114.6 43.8 -61.8 -40.5 44.9 36.3 35.4 153 150 A N H < S+ 0 0 98 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 116.5 46.2 -75.7 -30.6 42.4 39.1 34.6 154 151 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.710 93.5 79.4 -82.9 -20.0 40.7 37.4 31.8 155 152 A A H >< + 0 0 17 -4,-1.7 3,-2.4 -5,-0.2 -1,-0.2 0.895 57.1 178.4 -63.5 -48.2 40.2 34.0 33.5 156 153 A L T 3< S- 0 0 134 -4,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.851 84.7 -37.2 49.1 42.6 37.2 34.8 35.6 157 154 A G T 3 S+ 0 0 85 1,-0.4 -1,-0.3 22,-0.0 2,-0.1 0.251 124.6 96.1 96.9 -14.9 37.2 31.3 37.0 158 155 A Q S < S- 0 0 54 -3,-2.4 2,-0.5 -4,-0.1 -1,-0.4 -0.384 80.8 -94.6 -95.3 177.6 38.2 29.5 33.8 159 156 A V + 0 0 30 -2,-0.1 17,-2.5 -3,-0.1 2,-0.3 -0.854 52.3 144.8 -98.0 129.2 41.6 28.4 32.7 160 157 A V E +G 175 0B 9 -2,-0.5 15,-0.2 15,-0.2 -5,-0.1 -0.847 17.9 137.4-159.2 126.0 43.8 30.6 30.4 161 158 A Q E -G 174 0B 56 13,-2.2 13,-2.4 -2,-0.3 -13,-0.1 -0.991 57.4 -66.5-158.9 164.2 47.5 30.8 30.6 162 159 A P E +G 173 0B 13 0, 0.0 11,-0.3 0, 0.0 3,-0.1 -0.357 47.0 168.9 -57.1 135.7 50.7 31.0 28.7 163 160 A A E + 0 0 0 9,-3.4 96,-2.8 1,-0.3 2,-0.5 0.645 64.4 28.6-123.4 -45.1 51.3 27.7 26.9 164 161 A N E -Gh 172 259B 13 8,-2.2 8,-2.6 94,-0.2 2,-1.2 -0.970 58.5-161.8-127.2 118.8 54.2 28.2 24.5 165 162 A L E +Gh 171 260B 5 94,-3.1 97,-2.3 -2,-0.5 96,-0.5 -0.790 31.1 161.7 -94.5 88.3 56.8 30.7 25.3 166 163 A N E - 0 0 11 4,-1.3 2,-0.3 -2,-1.2 -1,-0.2 0.877 53.2 -9.9 -90.9 -42.2 58.0 30.8 21.7 167 164 A S E > S-G 170 0B 2 3,-2.2 3,-1.8 -3,-0.2 -1,-0.2 -0.919 83.2 -83.3-150.6 178.2 60.0 34.0 21.3 168 165 A T T 3 S+ 0 0 72 1,-0.3 -24,-0.3 -2,-0.3 124,-0.1 0.909 128.9 17.7 -62.5 -36.9 60.7 37.0 23.2 169 166 A D T 3 S+ 0 0 62 -26,-0.1 -28,-2.8 -28,-0.1 2,-0.4 0.013 112.5 85.7-118.9 30.2 57.5 38.8 22.1 170 167 A Q E < +EG 140 167B 32 -3,-1.8 -3,-2.2 -30,-0.2 -4,-1.3 -0.954 49.3 160.5-134.7 114.3 55.6 35.7 20.9 171 168 A T E -EG 139 165B 4 -32,-2.4 -32,-2.9 -2,-0.4 2,-0.4 -0.995 27.4-146.4-134.5 139.8 53.6 33.7 23.3 172 169 A V E -EG 138 164B 6 -8,-2.6 -9,-3.4 -2,-0.4 -8,-2.2 -0.895 17.0-157.4-103.5 132.1 50.8 31.2 22.8 173 170 A I E -EG 137 162B 0 -36,-3.0 -36,-2.3 -2,-0.4 2,-0.3 -0.752 8.4-167.7-104.4 159.4 48.1 31.0 25.4 174 171 A S E +EG 136 161B 0 -13,-2.4 -13,-2.2 -2,-0.3 2,-0.3 -0.985 29.4 83.9-145.1 150.6 45.8 28.1 26.1 175 172 A G E S+EG 135 160B 0 -40,-2.0 -40,-2.3 -2,-0.3 -15,-0.2 -0.995 75.1 1.3 157.2-152.8 42.7 27.3 28.0 176 173 A H E > -E 134 0B 43 -17,-2.5 4,-2.8 -2,-0.3 -42,-0.3 -0.428 66.9-122.2 -64.2 143.4 39.0 27.5 27.9 177 174 A S H > S+ 0 0 12 -44,-2.3 4,-2.2 1,-0.3 5,-0.2 0.871 109.7 47.5 -59.1 -43.0 37.8 28.9 24.6 178 175 A E H > S+ 0 0 95 -45,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.898 114.1 48.0 -66.9 -38.6 35.9 31.8 26.1 179 176 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.884 109.0 52.8 -70.0 -42.2 38.7 32.7 28.4 180 177 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.939 110.2 48.8 -56.4 -46.3 41.3 32.6 25.6 181 178 A D H X S+ 0 0 74 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.913 111.7 49.0 -63.1 -41.1 39.1 34.9 23.5 182 179 A R H X S+ 0 0 72 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.920 113.1 47.6 -62.1 -42.6 38.8 37.3 26.5 183 180 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.886 110.5 50.8 -66.4 -42.6 42.5 37.2 27.0 184 181 A L H X S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.912 110.0 50.5 -63.3 -40.3 43.3 37.8 23.4 185 182 A N H X S+ 0 0 111 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.927 110.9 48.6 -65.4 -40.0 40.9 40.7 23.3 186 183 A X H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.879 107.5 56.1 -63.2 -37.9 42.6 42.2 26.4 187 184 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.924 107.9 47.6 -61.9 -41.3 46.0 41.7 24.8 188 185 A K H ><5S+ 0 0 101 -4,-2.1 3,-1.7 3,-0.2 -1,-0.2 0.925 109.4 54.0 -62.1 -41.9 44.9 43.7 21.8 189 186 A T H 3<5S+ 0 0 105 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.861 107.9 50.6 -59.7 -35.0 43.6 46.3 24.2 190 187 A E T 3<5S- 0 0 132 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.365 131.9 -89.0 -87.5 3.3 47.1 46.4 25.9 191 188 A G T < 5 + 0 0 51 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.538 64.8 162.8 105.0 11.1 48.8 46.9 22.5 192 189 A A < - 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