==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-JAN-12 4DDO . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA VIETNAMIENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 421 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 4 1 1 0 0 2 1 0 0 1 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 0 0 1 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 . 1 2 2 0 0 0 0 3 1 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 . 1 1 0 0 0 0 0 0 0 0 1 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 3 A L 0 0 130 0, 0.0 2,-0.3 0, 0.0 184,-0.1 0.000 360.0 360.0 360.0 130.8 -2.3 1.2 23.3 2 4 A R - 0 0 115 262,-0.0 249,-2.8 183,-0.0 2,-0.4 -0.632 360.0-149.2 -76.1 136.0 -1.2 2.6 20.0 3 5 A V E -AB 250 265A 0 262,-0.7 262,-2.6 -2,-0.3 2,-0.3 -0.914 17.1-178.1-117.3 135.0 -2.1 6.3 19.8 4 6 A V E -AB 249 264A 0 245,-3.0 245,-2.1 -2,-0.4 2,-0.5 -0.835 26.9-125.1-128.5 164.4 -3.0 8.2 16.6 5 7 A V E +AB 248 263A 0 258,-2.5 257,-3.3 -2,-0.3 258,-1.1 -0.965 24.4 174.2-109.0 131.7 -3.9 11.7 15.4 6 8 A T E + 0 0 4 241,-2.5 2,-0.3 -2,-0.5 254,-0.2 0.392 62.6 24.4-119.4 -1.2 -7.1 11.9 13.5 7 9 A G E -A 247 0A 0 240,-0.7 240,-2.2 87,-0.1 2,-0.4 -0.969 55.4-165.1-165.1 149.8 -7.5 15.7 12.9 8 10 A I E -A 246 0A 0 -2,-0.3 2,-0.4 81,-0.2 10,-0.3 -0.999 3.5-174.1-139.6 137.2 -5.4 18.8 12.7 9 11 A G E -A 245 0A 0 236,-2.3 236,-2.1 -2,-0.4 2,-0.4 -0.994 7.2-170.2-132.2 138.2 -6.3 22.5 12.8 10 12 A I E +A 244 0A 0 -2,-0.4 7,-2.4 234,-0.2 2,-0.4 -0.998 18.8 178.5-135.6 133.8 -4.0 25.5 12.2 11 13 A V E +AC 243 16A 0 232,-3.1 232,-2.4 -2,-0.4 5,-0.2 -0.997 40.0 142.4-121.2 121.7 -4.3 29.3 12.7 12 14 A S E > - C 0 15A 1 3,-1.6 3,-2.1 -2,-0.4 40,-0.4 -0.950 68.3 -89.7-153.9 169.5 -0.9 30.8 11.6 13 15 A P T 3 S+ 0 0 4 0, 0.0 37,-0.2 0, 0.0 3,-0.1 0.659 126.0 53.7 -62.2 -16.3 1.2 33.5 9.9 14 16 A L T 3 S- 0 0 8 1,-0.4 2,-0.2 35,-0.1 10,-0.1 0.310 125.5 -88.6 -95.9 7.0 0.8 31.5 6.8 15 17 A G E < -C 12 0A 5 -3,-2.1 -3,-1.6 16,-0.1 2,-0.4 -0.672 44.3 -66.8 119.8 179.3 -3.0 31.4 7.1 16 18 A C E S+C 11 0A 22 44,-1.8 -5,-0.2 -5,-0.2 4,-0.1 -0.942 92.3 56.9-114.9 138.7 -5.8 29.4 8.6 17 19 A G S > S- 0 0 20 -7,-2.4 4,-2.8 -2,-0.4 5,-0.2 0.353 75.9-124.1 100.5 117.3 -6.6 25.9 7.4 18 20 A K H > S+ 0 0 9 -10,-0.3 4,-2.9 1,-0.2 5,-0.2 0.871 107.9 51.9 -68.7 -32.4 -3.9 23.3 7.6 19 21 A E H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.947 113.6 44.4 -67.6 -45.4 -4.0 22.3 3.9 20 22 A L H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.923 115.4 48.7 -59.3 -48.9 -3.7 25.9 2.7 21 23 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.936 112.3 48.6 -56.7 -49.3 -0.9 26.5 5.3 22 24 A W H X S+ 0 0 12 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.913 111.1 49.7 -59.9 -47.4 0.9 23.4 4.2 23 25 A Q H X S+ 0 0 139 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.933 112.9 46.0 -57.7 -50.1 0.7 24.3 0.6 24 26 A R H <>S+ 0 0 72 -4,-2.7 5,-3.0 2,-0.2 -2,-0.2 0.928 114.1 50.3 -59.6 -41.4 2.0 27.9 1.2 25 27 A L H ><5S+ 0 0 16 -4,-2.8 3,-2.1 -5,-0.2 -2,-0.2 0.967 112.3 44.4 -57.7 -58.3 4.8 26.5 3.4 26 28 A I H 3<5S+ 0 0 34 -4,-2.8 366,-0.5 1,-0.3 -1,-0.2 0.824 107.8 59.9 -64.4 -29.8 6.0 23.9 0.9 27 29 A G T 3<5S- 0 0 73 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.413 125.5 -99.8 -74.1 2.8 5.8 26.5 -1.9 28 30 A G T < 5 + 0 0 42 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.636 67.3 159.1 92.9 18.0 8.3 28.6 -0.1 29 31 A G < - 0 0 25 -5,-3.0 2,-0.4 -6,-0.2 -1,-0.2 -0.316 26.1-149.4 -81.0 158.5 6.0 31.1 1.6 30 32 A S - 0 0 31 2,-0.1 315,-0.2 -17,-0.1 314,-0.1 -0.951 15.9-163.1-125.1 143.8 6.7 33.4 4.6 31 33 A G + 0 0 0 313,-2.9 19,-1.2 -2,-0.4 2,-0.4 0.163 55.4 119.8-104.2 13.4 4.4 34.7 7.3 32 34 A L E +L 49 0B 6 17,-0.2 2,-0.3 312,-0.2 17,-0.2 -0.715 35.5 160.5 -88.8 133.6 6.9 37.4 8.5 33 35 A R E -L 48 0B 55 15,-2.5 15,-2.4 -2,-0.4 2,-0.3 -0.922 46.6 -84.4-143.3 161.7 5.8 41.0 8.2 34 36 A R E -L 47 0B 117 -2,-0.3 13,-0.2 13,-0.2 2,-0.1 -0.569 49.7-128.6 -70.2 128.3 6.5 44.4 9.6 35 37 A L - 0 0 13 11,-2.9 -1,-0.1 -2,-0.3 2,-0.0 -0.393 28.3 -94.0 -75.4 155.0 4.7 44.9 12.9 36 38 A G >> - 0 0 38 1,-0.1 4,-2.4 -2,-0.1 3,-1.4 -0.359 30.0-118.8 -64.9 151.2 2.6 47.9 13.5 37 39 A D H 3> S+ 0 0 113 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.775 111.9 69.7 -61.1 -26.5 4.2 50.9 15.3 38 40 A D H 34 S+ 0 0 130 1,-0.2 165,-0.4 2,-0.2 -1,-0.3 0.766 113.9 28.1 -61.8 -26.7 1.7 50.5 18.1 39 41 A I H <4 S+ 0 0 28 -3,-1.4 -2,-0.2 163,-0.1 -1,-0.2 0.841 140.6 16.4 -94.6 -48.4 3.6 47.2 19.0 40 42 A A H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.1 -3,-0.2 0.340 84.6 110.9-118.4 3.4 7.2 47.9 17.7 41 43 A G T 3< S+ 0 0 35 -4,-2.1 -1,-0.1 -5,-0.3 -3,-0.1 0.792 86.6 41.5 -51.3 -37.5 7.6 51.6 17.2 42 44 A E T 3 S+ 0 0 166 -5,-0.3 2,-0.3 -3,-0.2 -1,-0.3 0.380 109.5 73.3 -93.3 2.3 10.0 52.1 20.1 43 45 A L S < S- 0 0 37 -3,-2.0 164,-0.0 2,-0.1 -3,-0.0 -0.795 71.6-139.0-121.6 152.6 12.1 48.9 19.4 44 46 A S S S+ 0 0 77 -2,-0.3 2,-0.9 1,-0.1 176,-0.1 0.472 88.4 90.1 -89.1 -2.3 14.6 47.9 16.7 45 47 A A + 0 0 4 1,-0.1 172,-0.2 -5,-0.1 -2,-0.1 -0.841 51.0 157.0 -88.0 101.8 12.8 44.5 16.6 46 48 A K + 0 0 36 -2,-0.9 -11,-2.9 170,-0.2 2,-0.4 0.368 38.7 82.4-110.9 -2.8 10.3 45.3 13.8 47 49 A V E +L 34 0B 13 169,-0.4 192,-0.4 -13,-0.2 2,-0.3 -0.879 46.2 162.7-116.8 142.3 9.3 41.9 12.4 48 50 A G E -L 33 0B 0 -15,-2.4 -15,-2.5 -2,-0.4 2,-1.0 -0.983 45.2-110.2-149.1 157.7 6.8 39.3 13.5 49 51 A G E -Lm 32 240B 0 190,-2.7 192,-1.4 -2,-0.3 2,-0.3 -0.829 51.7-173.5 -86.7 103.9 4.9 36.3 12.3 50 52 A T - 0 0 26 -19,-1.2 2,-0.5 -2,-1.0 -38,-0.1 -0.750 26.7-128.9-106.5 146.5 1.4 37.8 12.3 51 53 A V - 0 0 8 -2,-0.3 2,-0.2 -37,-0.1 10,-0.1 -0.848 32.5-146.4 -89.1 125.1 -2.0 36.3 11.7 52 54 A Q - 0 0 43 -2,-0.5 10,-2.8 -40,-0.4 -40,-0.1 -0.571 5.5-122.1 -95.9 156.8 -3.9 38.3 9.0 53 55 A D > - 0 0 78 8,-0.3 4,-2.2 -2,-0.2 10,-0.1 -0.219 36.3 -97.4 -82.5 175.4 -7.6 39.0 8.7 54 56 A V T 4 S+ 0 0 70 8,-0.4 7,-0.1 2,-0.2 6,-0.1 0.764 121.6 62.7 -73.5 -20.5 -9.7 38.2 5.6 55 57 A A T 4 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.952 114.9 34.3 -60.5 -45.1 -9.4 41.7 4.2 56 58 A E T 4 S+ 0 0 116 1,-0.3 -2,-0.2 -3,-0.1 -1,-0.2 0.776 134.8 26.0 -80.7 -30.7 -5.6 41.0 4.0 57 59 A D X - 0 0 12 -4,-2.2 4,-2.7 1,-0.1 -1,-0.3 -0.756 67.2-178.3-135.3 85.6 -5.8 37.3 3.1 58 60 A P T 4 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.857 83.6 37.7 -58.4 -38.8 -9.1 36.5 1.4 59 61 A E T 4 S+ 0 0 154 1,-0.1 -39,-0.1 -39,-0.0 -5,-0.1 0.788 134.2 18.4 -81.6 -32.7 -8.5 32.7 1.1 60 62 A G T 4 S+ 0 0 2 -7,-0.1 -44,-1.8 -6,-0.1 -1,-0.1 0.341 86.4 135.2-127.3 8.3 -6.8 32.0 4.4 61 63 A G < - 0 0 13 -4,-2.7 2,-0.7 -46,-0.2 -8,-0.3 -0.074 59.0-102.8 -60.3 160.0 -7.5 35.0 6.8 62 64 A F + 0 0 15 -10,-2.8 -8,-0.4 -50,-0.0 -1,-0.1 -0.733 41.5 167.2 -91.2 114.2 -8.5 34.6 10.4 63 65 A D > - 0 0 77 -2,-0.7 3,-1.8 -10,-0.1 4,-0.3 -0.797 10.4-178.8-128.5 94.2 -12.2 35.2 11.1 64 66 A P G >> S+ 0 0 14 0, 0.0 4,-2.0 0, 0.0 3,-1.7 0.704 72.4 80.1 -69.9 -16.9 -13.1 34.1 14.6 65 67 A E G 34 S+ 0 0 118 1,-0.3 5,-0.1 2,-0.2 8,-0.0 0.705 83.4 64.4 -58.7 -19.9 -16.8 35.0 14.1 66 68 A R G <4 S+ 0 0 90 -3,-1.8 -1,-0.3 1,-0.2 0, 0.0 0.752 113.9 32.1 -72.6 -24.1 -17.2 31.7 12.2 67 69 A S T <4 S+ 0 0 10 -3,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.696 128.8 28.6 -98.1 -29.2 -16.4 29.9 15.5 68 70 A V S < S- 0 0 5 -4,-2.0 -1,-0.3 13,-0.0 5,-0.1 -1.000 84.4-106.8-138.6 132.6 -17.8 32.2 18.1 69 71 A P >> - 0 0 92 0, 0.0 4,-1.2 0, 0.0 3,-1.1 -0.322 36.2-115.8 -55.5 143.0 -20.7 34.8 18.0 70 72 A H H >> S+ 0 0 57 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.833 114.9 59.1 -49.6 -40.7 -19.5 38.4 17.9 71 73 A K H 34 S+ 0 0 87 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.853 106.8 45.2 -58.7 -40.6 -21.1 39.0 21.3 72 74 A E H X4 S+ 0 0 25 -3,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.692 96.8 74.0 -80.8 -18.0 -19.0 36.3 23.0 73 75 A L H X< S+ 0 0 20 -4,-1.2 3,-1.9 -3,-0.5 -1,-0.2 0.858 86.5 65.1 -63.5 -34.9 -15.7 37.4 21.3 74 76 A R T 3< S+ 0 0 71 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.1 0.655 96.5 58.4 -56.9 -19.7 -15.6 40.3 23.7 75 77 A K T < S+ 0 0 94 -3,-1.6 2,-0.4 -4,-0.1 -1,-0.3 0.382 102.6 61.0 -94.1 0.0 -15.2 37.8 26.5 76 78 A M S < S- 0 0 5 -3,-1.9 67,-0.1 -4,-0.1 68,-0.1 -0.988 75.7-126.1-141.4 130.5 -12.0 36.2 25.2 77 79 A D >> - 0 0 8 66,-1.9 4,-1.9 -2,-0.4 3,-0.7 -0.149 43.0 -94.4 -62.0 164.5 -8.5 37.4 24.4 78 80 A R H 3> S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.860 121.9 57.3 -51.3 -44.3 -6.9 36.9 21.0 79 81 A F H 3> S+ 0 0 0 120,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.875 107.9 49.0 -62.4 -33.4 -5.1 33.6 21.9 80 82 A I H <> S+ 0 0 0 -3,-0.7 4,-2.5 63,-0.2 -1,-0.2 0.903 108.0 53.2 -70.5 -40.7 -8.4 32.0 22.9 81 83 A Q H X S+ 0 0 36 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.917 111.2 46.8 -63.0 -39.3 -10.1 33.2 19.7 82 84 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.908 109.4 53.9 -66.0 -44.2 -7.4 31.5 17.7 83 85 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.896 106.9 52.9 -55.4 -43.0 -7.6 28.3 19.8 84 86 A M H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.918 110.7 45.4 -62.2 -46.8 -11.4 28.2 19.0 85 87 A V H X S+ 0 0 28 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.930 115.2 46.7 -63.0 -44.1 -10.8 28.3 15.2 86 88 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 159,-0.2 0.860 112.1 50.4 -67.8 -39.7 -8.0 25.8 15.2 87 89 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.901 106.8 54.7 -65.3 -42.6 -10.0 23.4 17.4 88 90 A D H X S+ 0 0 32 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.920 110.6 47.3 -53.8 -45.6 -13.1 23.6 15.2 89 91 A E H X S+ 0 0 46 -4,-1.8 4,-2.7 2,-0.2 -81,-0.2 0.946 112.8 45.8 -63.4 -52.5 -10.9 22.6 12.2 90 92 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.886 115.2 48.3 -59.4 -38.7 -9.1 19.7 13.9 91 93 A L H X>S+ 0 0 6 -4,-2.6 5,-2.0 2,-0.2 4,-0.9 0.881 109.8 51.9 -73.4 -35.6 -12.5 18.4 15.3 92 94 A A H <5S+ 0 0 79 -4,-2.2 3,-0.5 -5,-0.3 -2,-0.2 0.929 111.4 47.7 -62.7 -45.8 -14.2 18.7 11.9 93 95 A E H <5S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.923 115.0 45.0 -60.5 -44.4 -11.4 16.7 10.3 94 96 A A H <5S- 0 0 6 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.641 103.4-133.5 -71.6 -15.7 -11.5 14.0 13.0 95 97 A G T <5 + 0 0 51 -4,-0.9 2,-0.8 -3,-0.5 -3,-0.2 0.861 52.4 151.1 56.2 42.4 -15.3 13.9 12.9 96 98 A W < + 0 0 10 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.864 5.2 134.7-108.2 104.8 -15.5 14.1 16.7 97 99 A A - 0 0 75 -2,-0.8 -1,-0.1 -3,-0.1 7,-0.1 -0.417 36.0-164.4-146.7 60.6 -18.7 15.8 17.8 98 100 A P + 0 0 8 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 -0.249 15.8 179.7 -63.4 132.4 -20.1 13.7 20.6 99 101 A E + 0 0 151 5,-0.0 2,-0.3 0, 0.0 59,-0.0 0.687 60.6 78.3 -96.8 -31.8 -23.8 14.4 21.4 100 102 A A S >> S- 0 0 54 1,-0.1 4,-2.0 4,-0.0 3,-0.7 -0.661 80.3-129.0 -86.6 145.0 -24.1 11.8 24.3 101 103 A E H 3> S+ 0 0 75 -2,-0.3 4,-2.9 1,-0.3 5,-0.2 0.804 103.3 67.3 -62.2 -32.7 -22.8 12.5 27.7 102 104 A Q H 34 S+ 0 0 160 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.931 110.1 33.5 -52.6 -50.2 -21.0 9.2 27.8 103 105 A Q H X4 S+ 0 0 82 -3,-0.7 3,-0.5 2,-0.2 -1,-0.2 0.808 114.9 57.7 -78.7 -35.3 -18.6 10.2 25.0 104 106 A R H >< S+ 0 0 35 -4,-2.0 56,-1.8 1,-0.2 3,-1.7 0.920 104.0 54.4 -57.3 -42.6 -18.5 13.9 26.1 105 107 A E T 3< S+ 0 0 115 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.675 106.4 53.4 -66.0 -17.6 -17.3 12.7 29.5 106 108 A R T < S+ 0 0 76 -3,-0.5 84,-2.7 -4,-0.4 85,-1.9 0.217 88.2 96.6-101.3 14.9 -14.4 10.8 27.8 107 109 A T E < -d 191 0A 0 -3,-1.7 54,-2.2 82,-0.2 2,-0.3 -0.923 56.9-162.9-111.1 122.8 -13.1 13.8 25.9 108 110 A A E -d 192 0A 0 83,-2.8 85,-2.8 -2,-0.6 2,-0.4 -0.693 6.9-152.2 -98.2 153.8 -10.2 15.8 27.3 109 111 A T E +de 193 163A 1 53,-2.4 55,-2.5 -2,-0.3 2,-0.5 -0.962 17.5 173.7-129.4 111.7 -9.1 19.3 26.3 110 112 A V E +de 194 164A 5 83,-2.9 85,-2.5 -2,-0.4 2,-0.5 -0.927 6.0 166.2-129.5 106.4 -5.5 20.1 26.8 111 113 A V E -d 195 0A 0 53,-2.1 39,-0.4 -2,-0.5 85,-0.3 -0.972 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42.1 -71.9 -52.2 -10.1 37.7 34.7 142 144 A P H 34 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 -65,-0.2 0.756 102.7 72.2 -68.0 -19.4 -11.5 35.0 32.5 143 145 A F H 3< S+ 0 0 52 -4,-2.0 -66,-1.9 1,-0.2 -63,-0.2 0.854 115.3 20.1 -55.1 -35.2 -10.6 37.1 29.4 144 146 A F H << S+ 0 0 57 -3,-1.3 -27,-1.7 -4,-0.7 -1,-0.2 0.549 85.0 123.1-117.6 -14.3 -6.9 36.4 29.9 145 147 A L >< - 0 0 61 -4,-1.4 3,-1.9 1,-0.1 4,-0.3 -0.355 61.2-133.6 -59.4 130.7 -6.5 33.2 32.1 146 148 A S T > S+ 0 0 32 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.837 102.0 58.6 -56.7 -38.0 -4.4 30.7 30.1 147 149 A N T 3> S+ 0 0 73 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.582 85.8 80.3 -71.7 -8.5 -6.8 27.8 30.9 148 150 A L H <> S+ 0 0 28 -3,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.636 81.2 65.3 -78.0 -9.9 -9.7 29.6 29.2 149 151 A A H <> S+ 0 0 1 -3,-1.4 4,-2.1 -4,-0.3 5,-0.2 0.978 112.0 33.7 -63.8 -60.7 -8.5 28.6 25.8 150 152 A A H > S+ 0 0 0 -4,-0.5 4,-3.0 -39,-0.4 -2,-0.2 0.906 118.8 58.9 -56.1 -38.1 -9.2 24.9 26.7 151 153 A G H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.923 106.2 42.3 -59.9 -48.9 -12.1 26.2 28.7 152 154 A Q H X S+ 0 0 33 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.885 114.8 52.1 -68.9 -36.0 -13.9 27.9 25.9 153 155 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.941 111.0 47.9 -62.6 -49.4 -13.2 25.0 23.6 154 156 A S H X>S+ 0 0 24 -4,-3.0 4,-1.5 -5,-0.2 5,-1.4 0.903 111.4 50.9 -54.7 -45.8 -14.6 22.6 26.2 155 157 A I H <5S+ 0 0 93 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.939 111.8 46.5 -64.2 -46.3 -17.7 24.8 26.7 156 158 A K H <5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.922 123.9 31.8 -58.9 -45.5 -18.5 25.0 22.9 157 159 A H H <5S- 0 0 40 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.461 104.8-121.8-100.5 1.2 -18.1 21.2 22.3 158 160 A R T <5 + 0 0 112 -4,-1.5 2,-0.8 -3,-0.2 -3,-0.2 0.867 44.5 172.6 60.8 41.3 -19.3 20.0 25.7 159 161 A F < + 0 0 1 -5,-1.4 -1,-0.2 -6,-0.2 -54,-0.2 -0.744 5.8 173.7 -83.9 115.5 -16.0 18.2 26.5 160 162 A R + 0 0 124 -56,-1.8 -55,-0.2 -2,-0.8 -1,-0.1 0.389 44.3 91.2-115.0 2.8 -16.4 17.1 30.1 161 163 A G S S- 0 0 17 -54,-2.2 -55,-0.1 -57,-0.9 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3,-0.7 0.455 83.4 102.9 -95.0 -8.9 7.9 23.4 24.9 172 174 A A H <> S+ 0 0 0 -3,-2.2 4,-1.9 -4,-0.3 -2,-0.1 0.826 82.5 38.1 -54.3 -49.5 4.3 23.9 26.1 173 175 A S H 3> S+ 0 0 0 177,-0.6 4,-1.3 -4,-0.3 -1,-0.3 0.666 111.1 59.7 -85.7 -11.6 2.3 22.4 23.2 174 176 A V H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.923 109.5 46.1 -67.1 -43.7 4.8 19.6 22.7 175 177 A Q H X S+ 0 0 28 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.888 105.1 60.2 -64.3 -38.0 3.9 18.7 26.3 176 178 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.922 108.3 44.6 -55.3 -41.6 0.2 19.1 25.6 177 179 A I H X S+ 0 0 1 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.933 114.6 47.4 -69.2 -46.0 0.5 16.3 23.0 178 180 A G H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.906 112.5 50.7 -59.3 -42.3 2.6 14.1 25.3 179 181 A D H X S+ 0 0 40 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.896 109.5 50.7 -62.6 -40.9 0.1 14.7 28.1 180 182 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 5,-0.2 0.957 110.9 48.6 -61.8 -47.5 -2.8 13.8 25.8 181 183 A M H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.911 108.5 54.3 -60.9 -40.6 -1.0 10.6 24.8 182 184 A R H X S+ 0 0 120 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 107.8 50.1 -59.8 -44.5 -0.4 9.8 28.5 183 185 A M H X>S+ 0 0 27 -4,-1.9 5,-1.5 1,-0.2 6,-1.1 0.812 107.5 52.1 -67.0 -32.5 -4.1 10.1 29.4 184 186 A I H ><5S+ 0 0 4 -4,-1.9 3,-0.5 4,-0.2 -1,-0.2 0.915 112.8 47.6 -64.3 -43.1 -5.2 7.9 26.6 185 187 A R H 3<5S+ 0 0 103 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.810 112.1 47.1 -69.9 -32.6 -2.7 5.3 27.9 186 188 A T H 3<5S- 0 0 79 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.536 113.3-118.1 -81.8 -8.9 -3.8 5.6 31.5 187 189 A G T <<5S+ 0 0 37 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.615 78.8 125.3 80.2 14.6 -7.5 5.4 30.4 188 190 A E S S- 0 0 15 -2,-0.2 4,-2.5 -163,-0.1 5,-0.4 -0.905 70.3-106.0-170.0 152.6 2.3 44.0 22.8 203 205 A K H > S+ 0 0 93 -165,-0.4 4,-2.2 -2,-0.3 5,-0.1 0.840 119.1 50.0 -58.4 -30.4 5.0 46.6 23.2 204 206 A V H > S+ 0 0 80 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.917 111.4 44.6 -79.5 -40.3 5.8 45.3 26.7 205 207 A S H > S+ 0 0 9 2,-0.2 4,-1.8 -5,-0.2 5,-0.2 0.952 120.2 41.9 -68.0 -46.5 6.1 41.6 25.8 206 208 A L H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.931 114.6 52.6 -60.5 -43.2 8.2 42.5 22.7 207 209 A G H X S+ 0 0 19 -4,-2.2 4,-2.3 -5,-0.4 -2,-0.2 0.864 106.5 54.7 -58.4 -40.9 10.1 45.1 24.8 208 210 A G H X S+ 0 0 45 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.874 111.8 41.3 -59.8 -46.2 10.8 42.4 27.4 209 211 A F H <>S+ 0 0 33 -4,-1.8 5,-2.4 2,-0.2 6,-0.4 0.888 113.0 55.1 -68.3 -40.0 12.3 40.0 24.9 210 212 A A H ><5S+ 0 0 31 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.874 103.0 55.9 -60.3 -39.0 14.1 42.9 23.3 211 213 A A H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 105.7 52.0 -63.4 -32.8 15.6 43.8 26.7 212 214 A A T 3<5S- 0 0 75 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.368 113.2-123.0 -77.8 1.2 17.0 40.3 26.8 213 215 A R T < 5S+ 0 0 89 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.811 74.6 131.3 56.9 31.3 18.6 40.9 23.4 214 216 A A < + 0 0 23 -5,-2.4 23,-2.1 22,-0.1 2,-0.3 0.603 45.7 82.7 -85.4 -17.1 16.5 37.7 22.3 215 217 A L B S-n 237 0C 10 -6,-0.4 23,-0.2 21,-0.3 2,-0.1 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