==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-11 3SXE . COMPND 2 MOLECULE: HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.R.JOHAL,S.V.EVANS . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 2 1 0 0 0 0 1 1 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 62 A F 0 0 231 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.8 19.9 34.5 29.2 2 63 A M - 0 0 90 3,-0.0 3,-0.1 49,-0.0 49,-0.1 -0.933 360.0-140.1-114.5 125.3 18.3 31.1 30.0 3 64 A V - 0 0 92 -2,-0.5 2,-0.1 47,-0.2 47,-0.1 -0.261 37.2 -83.6 -71.8 165.4 16.2 30.4 33.0 4 65 A S - 0 0 96 1,-0.1 -1,-0.2 46,-0.0 0, 0.0 -0.384 42.8-114.0 -64.6 142.6 16.5 27.3 34.9 5 66 A L - 0 0 70 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.419 35.8-113.8 -67.1 150.0 14.5 24.2 33.8 6 67 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.411 45.7 -73.7 -70.4 165.5 11.7 23.1 36.1 7 68 A R - 0 0 225 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.367 59.4-176.1 -51.9 134.9 11.8 19.8 38.0 8 69 A M - 0 0 53 -3,-0.1 2,-0.5 2,-0.1 -3,-0.0 -0.997 21.6-145.9-140.3 143.9 11.2 16.9 35.6 9 70 A V + 0 0 118 -2,-0.4 -2,-0.0 3,-0.0 3,-0.0 -0.925 40.5 135.2-111.7 121.9 10.8 13.2 36.2 10 71 A Y - 0 0 105 -2,-0.5 -2,-0.1 32,-0.0 30,-0.0 -0.964 59.8 -66.2-157.3 166.1 12.1 11.1 33.3 11 72 A P - 0 0 112 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.315 55.8-109.9 -65.1 140.9 14.2 7.9 32.8 12 73 A Q - 0 0 137 1,-0.1 2,-0.2 -2,-0.0 -3,-0.0 -0.472 29.3-118.8 -68.4 131.9 17.8 8.2 33.9 13 74 A P - 0 0 103 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.522 28.3-142.3 -68.3 134.8 20.3 8.2 31.0 14 75 A K > - 0 0 113 3,-0.4 3,-1.8 -2,-0.2 -2,-0.0 -0.922 7.8-156.6-109.5 119.0 22.6 5.2 31.5 15 76 A V T 3 S+ 0 0 132 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 0.796 94.1 49.4 -59.1 -35.2 26.1 5.7 30.5 16 77 A L T 3 S+ 0 0 164 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.221 105.2 69.7 -96.6 15.5 26.9 2.0 29.9 17 78 A T S < S- 0 0 96 -3,-1.8 -3,-0.4 3,-0.0 -1,-0.1 -0.927 74.2-148.7-133.7 108.1 23.8 1.7 27.7 18 79 A P - 0 0 76 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 -0.387 15.3-134.5 -66.4 152.9 23.7 3.4 24.2 19 80 A C S S+ 0 0 67 1,-0.3 2,-0.3 19,-0.1 20,-0.1 0.739 96.0 15.5 -74.8 -28.9 20.3 4.6 22.9 20 81 A R + 0 0 9 3,-0.1 -1,-0.3 18,-0.1 5,-0.1 -0.954 57.0 175.1-151.6 123.7 21.0 3.1 19.5 21 82 A K S S+ 0 0 185 -2,-0.3 -1,-0.1 -3,-0.2 -2,-0.0 0.408 79.4 65.1-107.6 -7.9 23.8 0.5 18.8 22 83 A D S S+ 0 0 92 1,-0.1 2,-0.3 252,-0.1 -1,-0.1 0.472 103.7 41.4 -92.6 -12.3 22.9 -0.0 15.2 23 84 A V S S- 0 0 29 12,-0.0 2,-0.5 251,-0.0 -3,-0.1 -0.986 84.3-103.9-137.0 157.0 23.7 3.5 14.0 24 85 A L - 0 0 97 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.677 33.8-178.8 -74.1 123.3 26.3 6.3 14.3 25 86 A V + 0 0 44 -2,-0.5 8,-2.3 1,-0.2 2,-0.3 0.359 64.9 42.0-110.3 2.4 24.6 8.9 16.6 26 87 A V B S-A 32 0A 58 6,-0.3 -1,-0.2 8,-0.0 230,-0.0 -0.985 77.7-129.5-148.7 135.6 27.5 11.5 16.6 27 88 A T > - 0 0 2 4,-3.2 3,-2.5 -2,-0.3 -2,-0.0 -0.365 35.1-103.0 -76.4 169.1 29.7 12.7 13.7 28 89 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.584 125.3 57.1 -70.5 -10.9 33.5 12.8 14.1 29 90 A W T 3 S- 0 0 66 2,-0.1 -2,-0.1 225,-0.1 224,-0.0 0.110 125.1-105.2-101.8 23.4 33.3 16.6 14.6 30 91 A L S < S+ 0 0 146 -3,-2.5 225,-0.0 1,-0.2 -4,-0.0 0.758 72.1 143.7 67.3 35.3 30.9 15.9 17.6 31 92 A A - 0 0 2 223,-0.1 -4,-3.2 225,-0.0 -1,-0.2 -0.881 54.0-115.2 -99.5 127.2 27.6 17.0 15.9 32 93 A P B -A 26 0A 60 0, 0.0 225,-2.5 0, 0.0 2,-0.6 -0.338 16.1-141.3 -55.5 142.7 24.6 14.8 17.0 33 94 A I E -b 257 0B 4 -8,-2.3 2,-0.7 223,-0.2 225,-0.2 -0.972 25.8-131.1-107.4 116.0 23.0 12.6 14.3 34 95 A V E +b 258 0B 6 223,-2.6 225,-2.0 -2,-0.6 2,-0.3 -0.651 42.6 151.1 -87.8 107.2 19.3 12.8 15.1 35 96 A W > - 0 0 13 -2,-0.7 3,-2.3 223,-0.1 4,-0.3 -0.942 54.8 -85.0-123.7 158.9 17.6 9.4 15.2 36 97 A E T 3 S+ 0 0 54 -2,-0.3 240,-0.1 1,-0.3 241,-0.0 -0.370 116.3 32.4 -63.0 139.8 14.6 8.2 17.1 37 98 A G T 3 S+ 0 0 34 2,-0.3 -1,-0.3 -2,-0.0 -3,-0.0 0.206 97.5 88.6 94.3 -12.4 15.7 7.0 20.6 38 99 A T S < S+ 0 0 46 -3,-2.3 2,-0.4 1,-0.1 -2,-0.1 0.606 84.5 48.3 -86.7 -16.4 18.5 9.6 20.9 39 100 A F - 0 0 44 -4,-0.3 2,-0.8 -20,-0.1 -2,-0.3 -0.958 64.4-140.3-129.3 149.7 16.5 12.5 22.4 40 101 A N > - 0 0 49 -2,-0.4 4,-2.1 1,-0.1 3,-0.5 -0.915 20.6-162.7 -99.4 106.9 14.0 13.2 25.2 41 102 A I H > S+ 0 0 40 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.761 84.2 63.5 -71.5 -19.6 11.7 15.6 23.4 42 103 A D H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 105.7 44.4 -69.3 -39.8 10.2 16.7 26.8 43 104 A I H > S+ 0 0 38 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.948 116.1 47.4 -65.4 -46.0 13.6 18.1 27.8 44 105 A L H X S+ 0 0 29 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.911 109.7 52.4 -62.8 -43.8 14.2 19.7 24.4 45 106 A N H X S+ 0 0 46 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.895 110.1 49.7 -57.1 -44.3 10.7 21.2 24.3 46 107 A E H X S+ 0 0 64 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.941 111.2 48.9 -54.9 -51.6 11.3 22.8 27.7 47 108 A Q H X S+ 0 0 75 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.903 117.6 39.5 -59.2 -47.3 14.7 24.2 26.7 48 109 A F H <>S+ 0 0 26 -4,-2.6 5,-1.9 2,-0.2 3,-0.3 0.841 113.3 53.0 -77.8 -29.8 13.3 25.8 23.4 49 110 A R H ><5S+ 0 0 106 -4,-2.6 3,-1.9 -5,-0.3 -2,-0.2 0.895 104.0 58.1 -70.5 -35.1 10.0 27.0 24.9 50 111 A L H 3<5S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.3 -47,-0.2 0.767 107.3 48.3 -65.1 -20.6 11.9 28.8 27.6 51 112 A Q T 3<5S- 0 0 92 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.412 110.0-127.3 -91.3 -2.6 13.7 30.7 24.9 52 113 A N T < 5 - 0 0 85 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.924 38.0-159.5 48.2 51.8 10.3 31.5 23.1 53 114 A T < - 0 0 5 -5,-1.9 32,-1.2 91,-0.1 2,-0.5 -0.372 14.6-159.3 -65.6 134.9 11.7 30.0 19.9 54 115 A T E -c 85 0B 10 -3,-0.1 90,-2.6 30,-0.1 91,-1.7 -0.963 6.6-159.4-113.6 128.4 10.2 30.9 16.6 55 116 A I E -cd 86 145B 0 30,-2.8 32,-2.4 -2,-0.5 2,-0.3 -0.918 2.5-154.1-110.8 123.1 10.8 28.6 13.6 56 117 A G E -cd 87 146B 0 89,-3.1 91,-2.3 -2,-0.5 2,-0.5 -0.781 6.3-161.2 -86.9 137.4 10.5 29.7 10.0 57 118 A L E -cd 88 147B 0 30,-2.1 32,-3.0 -2,-0.3 2,-0.4 -0.984 5.1-160.3-120.4 117.6 9.7 27.1 7.4 58 119 A T E +cd 89 148B 1 89,-2.9 91,-2.2 -2,-0.5 2,-0.3 -0.775 14.8 169.7 -96.5 144.0 10.4 28.0 3.8 59 120 A V E -cd 90 149B 0 30,-2.1 32,-2.6 -2,-0.4 2,-0.5 -0.983 22.2-144.6-152.9 131.5 8.7 26.1 0.9 60 121 A F E +c 91 0B 16 89,-0.5 91,-0.4 -2,-0.3 2,-0.4 -0.858 15.6 177.8-102.6 132.1 8.7 26.9 -2.8 61 122 A A E +c 92 0B 0 30,-3.1 32,-0.6 -2,-0.5 33,-0.4 -0.740 16.8 168.2-135.1 87.1 5.5 26.1 -4.9 62 123 A I > - 0 0 9 -2,-0.4 3,-1.9 30,-0.2 30,-0.1 -0.828 54.2 -30.1-110.3 139.3 6.3 27.3 -8.4 63 124 A K G > S+ 0 0 61 -2,-0.4 3,-1.6 1,-0.3 4,-0.1 -0.320 134.7 0.7 54.6-128.7 4.1 26.5 -11.4 64 125 A K G > S+ 0 0 84 226,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.671 116.4 81.9 -68.7 -11.3 2.4 23.1 -11.1 65 126 A Y G X + 0 0 38 -3,-1.9 3,-1.7 1,-0.3 4,-0.3 0.604 66.3 85.8 -76.9 -4.6 3.9 22.5 -7.6 66 127 A V G X S+ 0 0 22 -3,-1.6 3,-1.4 1,-0.2 4,-0.4 0.804 76.5 72.6 -59.0 -23.3 1.2 24.6 -6.0 67 128 A A G < S+ 0 0 84 -3,-1.9 4,-0.4 1,-0.2 3,-0.3 0.749 91.7 55.6 -64.4 -16.7 -0.8 21.3 -6.1 68 129 A F G <> S+ 0 0 25 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.610 84.8 83.7 -90.9 -9.6 1.4 20.0 -3.3 69 130 A L H <> S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.3 5,-0.3 0.849 81.2 58.9 -67.1 -36.5 0.8 22.8 -0.8 70 131 A K H > S+ 0 0 112 -4,-0.4 4,-2.6 -3,-0.3 5,-0.2 0.951 114.4 35.7 -59.1 -54.8 -2.5 21.5 0.7 71 132 A L H > S+ 0 0 69 -4,-0.4 4,-2.2 1,-0.2 84,-0.3 0.893 116.6 54.2 -65.2 -38.3 -1.1 18.3 1.9 72 133 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 83,-0.3 0.941 116.0 37.9 -59.2 -54.0 2.3 19.7 2.8 73 134 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.909 114.9 52.2 -70.3 -39.4 0.7 22.5 5.1 74 135 A E H X S+ 0 0 70 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.903 115.2 42.5 -64.5 -39.7 -2.1 20.3 6.6 75 136 A T H X S+ 0 0 16 -4,-2.2 4,-1.8 -5,-0.2 3,-0.5 0.875 108.9 58.5 -75.3 -31.6 0.4 17.7 7.6 76 137 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.894 102.3 55.8 -58.1 -41.8 2.9 20.3 8.8 77 138 A E H < S+ 0 0 32 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.839 110.8 44.2 -60.8 -29.6 0.1 21.5 11.2 78 139 A K H < S+ 0 0 159 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.783 132.3 13.1 -80.4 -26.9 -0.1 18.0 12.6 79 140 A H H < S+ 0 0 48 -4,-1.8 80,-2.6 79,-0.1 2,-0.7 0.614 95.2 92.5-128.7 -17.6 3.6 17.2 13.0 80 141 A F B < S-i 159 0C 0 -4,-2.8 80,-0.2 -5,-0.2 4,-0.1 -0.790 107.8 -36.3-100.8 113.1 6.0 20.2 12.6 81 142 A M S > S- 0 0 1 78,-2.6 3,-2.4 -2,-0.7 -1,-0.2 0.794 75.7-170.9 56.2 35.1 7.0 22.1 15.8 82 143 A V T 3 S+ 0 0 88 1,-0.3 -1,-0.2 77,-0.2 3,-0.1 -0.323 71.4 26.1 -65.4 135.8 3.6 21.7 17.4 83 144 A G T 3 S+ 0 0 61 1,-0.4 -1,-0.3 22,-0.2 2,-0.2 0.200 108.2 93.3 97.1 -15.7 3.5 23.9 20.6 84 145 A H S < S- 0 0 9 -3,-2.4 -1,-0.4 -4,-0.1 2,-0.3 -0.677 89.4 -93.6-104.8 164.4 6.2 26.3 19.2 85 146 A R E -c 54 0B 86 -32,-1.2 -30,-2.8 -2,-0.2 2,-0.4 -0.593 48.4-174.1 -78.2 130.5 5.8 29.5 17.3 86 147 A V E -ce 55 107B 2 20,-1.6 22,-2.4 -2,-0.3 2,-0.5 -0.987 17.2-168.6-132.5 135.7 6.0 28.8 13.5 87 148 A H E -ce 56 108B 4 -32,-2.4 -30,-2.1 -2,-0.4 2,-0.3 -0.967 13.7-156.2-121.1 112.8 6.0 31.2 10.6 88 149 A Y E -ce 57 109B 0 20,-3.2 22,-2.8 -2,-0.5 2,-0.5 -0.709 3.1-162.3 -86.6 139.0 5.5 29.5 7.2 89 150 A Y E -ce 58 110B 0 -32,-3.0 -30,-2.1 -2,-0.3 2,-0.8 -0.945 4.4-167.2-121.7 110.3 6.9 31.3 4.1 90 151 A V E -ce 59 111B 0 20,-2.5 22,-3.0 -2,-0.5 2,-0.6 -0.854 4.1-160.3-100.1 111.5 5.4 30.1 0.9 91 152 A F E +ce 60 112B 0 -32,-2.6 -30,-3.1 -2,-0.8 2,-0.3 -0.800 28.7 151.2 -89.7 122.9 7.2 31.3 -2.2 92 153 A T E -ce 61 113B 0 20,-2.4 22,-2.1 -2,-0.6 -30,-0.2 -0.989 54.2-141.9-152.0 152.9 5.1 31.1 -5.2 93 154 A D S S+ 0 0 42 -32,-0.6 23,-0.1 -2,-0.3 -31,-0.1 0.380 102.9 53.9 -88.5 -1.3 4.4 32.6 -8.7 94 155 A Q > + 0 0 66 -33,-0.4 3,-2.3 1,-0.1 4,-0.3 -0.609 59.1 172.0-132.3 77.5 0.6 32.1 -8.0 95 156 A P G > S+ 0 0 52 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.845 80.8 57.8 -56.1 -33.5 -0.5 33.7 -4.8 96 157 A A G 3 S+ 0 0 110 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.653 98.5 60.7 -74.5 -10.0 -4.1 33.0 -5.5 97 158 A A G < S+ 0 0 42 -3,-2.3 -1,-0.3 2,-0.1 -4,-0.0 0.406 74.6 111.2 -92.6 -0.6 -3.4 29.2 -5.8 98 159 A V S < S- 0 0 25 -3,-1.5 -31,-0.1 -4,-0.3 -32,-0.0 -0.631 73.2-122.7 -75.9 123.7 -2.2 28.9 -2.2 99 160 A P - 0 0 35 0, 0.0 2,-1.1 0, 0.0 -2,-0.1 -0.300 17.8-111.8 -67.1 153.3 -4.8 26.8 -0.3 100 161 A R - 0 0 226 2,-0.0 2,-0.5 0, 0.0 -30,-0.0 -0.741 43.9-177.2 -88.4 98.0 -6.6 28.2 2.8 101 162 A V - 0 0 20 -2,-1.1 2,-0.4 -28,-0.0 -31,-0.0 -0.852 25.8-124.6-102.2 135.2 -5.2 26.0 5.5 102 163 A T - 0 0 112 -2,-0.5 2,-0.3 1,-0.0 -25,-0.1 -0.605 31.1-156.3 -79.1 129.1 -6.4 26.3 9.1 103 164 A L - 0 0 50 -2,-0.4 3,-0.1 4,-0.1 4,-0.1 -0.803 12.8-114.9-111.3 152.1 -3.5 26.9 11.4 104 165 A G > - 0 0 35 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 -0.203 54.2 -69.0 -68.8 166.0 -3.0 26.2 15.1 105 166 A T T 3 S+ 0 0 148 1,-0.2 -22,-0.2 -20,-0.0 -1,-0.2 -0.248 119.3 23.2 -59.6 139.9 -2.5 29.0 17.6 106 167 A G T 3 S+ 0 0 39 1,-0.2 -20,-1.6 -3,-0.1 2,-0.4 0.634 99.2 110.4 78.1 18.8 0.8 30.9 17.4 107 168 A R E < -e 86 0B 26 -3,-1.2 2,-0.3 -22,-0.2 -1,-0.2 -0.971 42.5-179.1-126.2 141.1 1.4 29.9 13.8 108 169 A Q E -e 87 0B 90 -22,-2.4 -20,-3.2 -2,-0.4 2,-0.4 -0.923 14.5-148.8-138.3 156.3 1.3 32.2 10.8 109 170 A L E -e 88 0B 52 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.999 8.3-170.5-128.2 132.5 1.7 32.0 7.0 110 171 A S E -e 89 0B 19 -22,-2.8 -20,-2.5 -2,-0.4 2,-0.5 -0.977 15.4-143.5-117.3 141.4 3.0 34.6 4.6 111 172 A V E -e 90 0B 61 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.873 14.1-166.5-101.9 124.0 2.8 34.3 0.8 112 173 A L E -e 91 0B 10 -22,-3.0 -20,-2.4 -2,-0.5 2,-0.4 -0.953 14.6-142.1-111.8 114.6 6.0 35.7 -1.0 113 174 A E E +e 92 0B 141 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.672 29.0 167.7 -84.3 131.4 5.4 36.2 -4.7 114 175 A V - 0 0 20 -22,-2.1 2,-0.1 -2,-0.4 -2,-0.0 -0.893 36.9 -89.5-133.4 165.2 8.4 35.4 -6.9 115 176 A R - 0 0 155 -2,-0.3 2,-0.4 -53,-0.0 -22,-0.1 -0.436 34.8-129.0 -74.0 150.4 9.1 34.9 -10.5 116 177 A A - 0 0 31 -2,-0.1 2,-0.3 -23,-0.1 -1,-0.0 -0.878 15.5-148.6 -93.1 131.1 8.9 31.4 -12.2 117 178 A Y - 0 0 37 -2,-0.4 6,-0.1 2,-0.1 -55,-0.0 -0.680 16.6-128.9 -92.5 152.0 11.8 30.1 -14.2 118 179 A K S S+ 0 0 186 -2,-0.3 2,-0.4 4,-0.1 -1,-0.1 0.907 88.4 66.8 -67.8 -43.8 11.1 27.9 -17.2 119 180 A R S >> S- 0 0 90 1,-0.1 4,-2.2 173,-0.0 3,-0.7 -0.706 76.3-139.1 -88.4 131.3 13.5 25.1 -16.3 120 181 A W H 3> S+ 0 0 60 -2,-0.4 4,-2.7 171,-0.3 5,-0.2 0.817 105.3 60.8 -51.9 -33.9 12.9 23.0 -13.2 121 182 A Q H 3> S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.899 106.5 43.5 -61.7 -44.6 16.7 23.2 -12.6 122 183 A D H <> S+ 0 0 33 -3,-0.7 4,-3.2 2,-0.2 -1,-0.2 0.879 110.6 54.3 -68.0 -41.4 16.6 26.9 -12.4 123 184 A V H X S+ 0 0 29 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.952 115.5 41.2 -55.1 -49.7 13.4 26.9 -10.2 124 185 A S H >< S+ 0 0 26 -4,-2.7 3,-0.9 -5,-0.2 4,-0.3 0.945 117.8 46.0 -66.1 -47.0 15.2 24.5 -7.8 125 186 A M H >< S+ 0 0 13 -4,-2.9 3,-1.8 1,-0.2 4,-0.4 0.911 105.1 60.7 -62.4 -39.3 18.6 26.3 -8.0 126 187 A R H 3X S+ 0 0 46 -4,-3.2 4,-2.3 1,-0.3 -1,-0.2 0.605 81.0 83.6 -71.2 -8.2 17.2 29.8 -7.6 127 188 A R H S+ 0 0 3 -3,-1.8 4,-2.4 -4,-0.3 -1,-0.2 0.963 107.8 43.1 -65.1 -42.8 19.2 29.7 -2.7 129 190 A E H > S+ 0 0 46 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.916 115.3 50.0 -62.2 -43.0 19.1 33.3 -4.0 130 191 A M H X S+ 0 0 20 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.916 111.6 47.0 -65.2 -41.8 15.5 33.8 -3.0 131 192 A I H X S+ 0 0 4 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.930 112.6 48.9 -64.8 -42.9 16.1 32.5 0.5 132 193 A S H X S+ 0 0 10 -4,-2.4 4,-1.8 -5,-0.3 3,-0.4 0.912 108.3 54.3 -65.6 -35.9 19.1 34.6 1.0 133 194 A D H < S+ 0 0 84 -4,-2.6 5,-0.3 1,-0.2 -2,-0.2 0.939 113.4 43.7 -60.7 -44.5 17.3 37.8 -0.3 134 195 A F H ><>S+ 0 0 62 -4,-2.3 5,-2.5 1,-0.2 3,-0.6 0.688 108.1 56.6 -75.0 -17.7 14.6 37.2 2.3 135 196 A C H 3<>S+ 0 0 0 -4,-1.5 5,-1.6 -3,-0.4 -1,-0.2 0.939 92.5 75.9 -68.5 -42.6 17.0 36.4 5.2 136 197 A E T 3<5S- 0 0 115 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.380 124.7 -16.8 -59.2 -9.3 18.6 39.7 4.6 137 198 A R T <>5S+ 0 0 218 -3,-0.6 4,-1.3 -4,-0.1 5,-0.2 0.087 132.5 50.3-145.9 -61.8 15.7 41.6 6.2 138 199 A R H >>5S+ 0 0 80 -5,-0.3 4,-1.1 1,-0.2 3,-0.7 0.923 111.4 41.8 -60.5 -53.3 12.5 39.7 6.8 139 200 A F H >> - 0 0 2 -2,-0.4 3,-2.2 -80,-0.2 4,-0.2 -0.415 63.0 -49.7-135.9-158.6 10.4 19.1 16.3 161 222 A V G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 -81,-0.0 0.614 107.5 85.7 -64.8 -13.1 13.0 21.1 18.1 162 223 A E G 3 S+ 0 0 3 1,-0.2 -1,-0.3 -123,-0.0 -128,-0.0 0.748 89.5 54.2 -52.5 -26.1 15.4 18.2 18.1 163 224 A I G < S+ 0 0 0 -3,-2.2 -1,-0.2 93,-0.0 -2,-0.2 0.682 83.5 107.9 -82.3 -16.1 16.5 19.4 14.7 164 225 A L < + 0 0 3 -3,-1.5 3,-0.1 -4,-0.2 -17,-0.0 -0.398 36.3 120.1 -81.7 138.8 17.3 23.0 15.7 165 226 A T S S- 0 0 14 -2,-0.2 3,-0.2 91,-0.1 91,-0.1 -0.937 77.7 -79.9-176.7 166.9 21.0 24.0 15.9 166 227 A P S S+ 0 0 66 0, 0.0 46,-2.0 0, 0.0 2,-0.3 0.902 113.0 3.6 -58.6 -36.0 23.1 26.6 14.1 167 228 A L E S+G 211 0B 6 44,-0.3 88,-2.2 48,-0.1 89,-1.4 -0.935 71.1 170.6-152.7 126.1 23.5 24.6 10.9 168 229 A F E -Gh 210 256B 0 42,-2.8 42,-1.9 -2,-0.3 2,-0.3 -0.974 10.6-173.8-135.4 151.0 22.0 21.2 9.8 169 230 A G E - h 0 257B 0 87,-1.0 89,-3.0 -2,-0.3 2,-0.4 -0.846 23.4-124.0-127.0 177.7 21.7 19.0 6.8 170 231 A T E - 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