==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-DEC-12 3ZGF . COMPND 2 MOLECULE: HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.JORGENSEN,G.O.BATOT,O.HINDSGAUL,H.TANAKA,S.PEREZ,A.IMBERTY . 572 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 6.3 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 . 2 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 . 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 . 44 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 5 0 1 0 1 1 0 3 2 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 2 2 0 2 0 2 2 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 . 5 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 64 A V 0 0 147 0, 0.0 2,-0.3 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0-160.1 9.8 7.5 -8.5 2 65 A S - 0 0 59 539,-0.1 539,-0.2 1,-0.0 538,-0.1 -0.690 360.0-111.7-100.7 153.8 9.8 8.8 -12.0 3 66 A L - 0 0 5 537,-2.2 2,-0.1 -2,-0.3 3,-0.1 -0.531 38.9-117.8 -69.6 147.7 11.7 7.5 -15.1 4 67 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.404 45.5 -73.1 -77.7 168.2 14.4 9.8 -16.2 5 68 A R - 0 0 119 -2,-0.1 2,-0.3 483,-0.0 483,-0.0 -0.388 59.4-174.1 -54.0 137.0 14.3 11.5 -19.7 6 69 A M - 0 0 36 -3,-0.1 2,-0.6 2,-0.1 -3,-0.0 -0.998 20.8-141.2-138.7 141.9 15.1 8.8 -22.3 7 70 A V + 0 0 95 -2,-0.3 481,-0.1 481,-0.1 480,-0.0 -0.913 42.9 132.4-105.3 118.6 15.6 9.1 -26.1 8 71 A Y - 0 0 21 -2,-0.6 -2,-0.1 479,-0.4 2,-0.0 -0.966 59.7 -71.6-155.4 165.6 14.1 6.2 -28.2 9 72 A P - 0 0 108 0, 0.0 3,-0.0 0, 0.0 478,-0.0 -0.338 54.0-107.3 -68.6 145.4 11.9 5.8 -31.3 10 73 A Q - 0 0 20 1,-0.1 2,-0.2 478,-0.0 480,-0.1 -0.491 30.4-116.5 -70.3 132.8 8.3 6.7 -31.0 11 74 A P - 0 0 10 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.544 29.5-136.3 -65.1 130.2 5.8 3.7 -30.9 12 75 A K > - 0 0 94 -2,-0.2 3,-1.6 3,-0.2 454,-0.1 -0.850 9.2-156.8 -99.6 116.4 3.6 4.0 -34.0 13 76 A V T 3 S+ 0 0 5 -2,-0.7 300,-2.7 452,-0.5 -1,-0.1 0.822 91.7 47.1 -61.9 -34.4 -0.0 3.4 -33.3 14 77 A L T 3 S+ 0 0 78 298,-0.2 -1,-0.3 451,-0.2 298,-0.1 0.088 99.5 78.1-100.4 23.8 -1.0 2.4 -36.8 15 78 A T S < S- 0 0 85 -3,-1.6 -3,-0.2 3,-0.0 296,-0.1 -0.941 77.5-136.0-130.6 110.9 2.0 0.0 -37.3 16 79 A P - 0 0 19 0, 0.0 297,-0.2 0, 0.0 3,-0.1 -0.324 11.2-135.7 -61.6 145.2 1.7 -3.5 -35.7 17 80 A C S S+ 0 0 34 1,-0.3 2,-0.4 295,-0.2 296,-0.1 0.803 93.2 20.2 -77.1 -28.3 4.9 -4.5 -33.9 18 81 A R - 0 0 6 3,-0.1 -1,-0.3 1,-0.1 5,-0.1 -0.994 58.0-176.1-136.1 134.5 4.7 -8.0 -35.4 19 82 A K S S+ 0 0 134 -2,-0.4 -1,-0.1 -3,-0.1 3,-0.1 0.430 84.3 51.6-102.7 -1.9 2.7 -8.9 -38.5 20 83 A D S S+ 0 0 60 286,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.546 107.0 39.3-114.5 -12.2 3.4 -12.6 -38.4 21 84 A V S S- 0 0 1 285,-0.1 2,-0.5 284,-0.1 284,-0.2 -0.931 81.3 -99.9-139.6 161.1 2.5 -13.6 -34.8 22 85 A L - 0 0 10 282,-2.8 3,-0.1 -2,-0.3 -3,-0.1 -0.706 33.2-178.7 -79.2 125.1 -0.0 -13.1 -32.0 23 86 A V + 0 0 7 -2,-0.5 8,-2.7 1,-0.2 2,-0.3 0.429 64.7 41.1-110.0 1.7 1.5 -10.7 -29.5 24 87 A V B S-A 30 0A 1 6,-0.3 -1,-0.2 8,-0.1 284,-0.1 -0.987 76.5-130.6-145.3 135.3 -1.3 -10.5 -26.9 25 88 A T > - 0 0 0 4,-3.0 3,-1.9 -2,-0.3 6,-0.1 -0.328 35.1-103.0 -75.6 167.2 -3.5 -13.3 -25.5 26 89 A P T 3 S+ 0 0 24 0, 0.0 303,-2.8 0, 0.0 307,-0.2 0.606 125.3 56.7 -68.1 -10.5 -7.3 -12.9 -25.4 27 90 A W T 3 S- 0 0 15 301,-0.2 301,-0.1 2,-0.1 -2,-0.1 0.105 124.6-106.1-101.8 20.9 -7.0 -12.2 -21.6 28 91 A L S < S+ 0 0 11 -3,-1.9 300,-0.1 299,-0.5 299,-0.0 0.773 70.8 144.7 63.0 33.8 -4.6 -9.3 -22.5 29 92 A A - 0 0 3 223,-0.1 -4,-3.0 291,-0.1 -1,-0.2 -0.883 53.9-114.2 -94.6 130.0 -1.3 -10.9 -21.4 30 93 A P B -A 24 0A 9 0, 0.0 225,-2.4 0, 0.0 2,-0.6 -0.321 17.5-142.1 -55.9 138.9 1.6 -10.0 -23.6 31 94 A I E -b 255 0B 1 -8,-2.7 2,-0.9 223,-0.2 225,-0.2 -0.961 26.7-128.1-101.2 121.0 3.1 -12.8 -25.7 32 95 A V E +b 256 0B 0 223,-2.8 225,-1.8 -2,-0.6 2,-0.3 -0.615 45.1 148.8 -85.8 103.8 6.9 -12.1 -25.6 33 96 A W > - 0 0 0 -2,-0.9 3,-2.1 223,-0.1 4,-0.3 -0.909 56.9 -88.4-121.4 155.2 8.6 -12.0 -29.0 34 97 A E T 3 S+ 0 0 52 -2,-0.3 240,-0.1 1,-0.3 241,-0.0 -0.414 116.8 37.1 -60.1 134.8 11.5 -9.9 -30.2 35 98 A G T 3 S+ 0 0 33 2,-0.4 -1,-0.3 -2,-0.1 3,-0.0 0.216 95.6 85.2 105.7 -14.0 10.2 -6.7 -31.5 36 99 A T S < S+ 0 0 4 -3,-2.1 283,-0.5 1,-0.1 2,-0.3 0.628 88.7 46.9 -96.7 -13.9 7.4 -6.3 -28.9 37 100 A F B -I 318 0C 23 -4,-0.3 2,-0.7 281,-0.1 -2,-0.4 -0.958 63.9-141.5-132.1 147.1 9.6 -4.6 -26.2 38 101 A N > - 0 0 30 279,-2.7 4,-2.0 -2,-0.3 3,-0.2 -0.936 20.0-161.1 -98.6 109.7 12.1 -1.9 -25.8 39 102 A I H > S+ 0 0 39 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.772 85.4 62.5 -69.0 -24.2 14.6 -3.4 -23.3 40 103 A D H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 106.7 43.6 -65.9 -46.1 16.0 -0.0 -22.4 41 104 A I H > S+ 0 0 0 -3,-0.2 4,-2.5 1,-0.2 5,-0.2 0.944 115.6 48.8 -61.7 -47.6 12.7 1.2 -21.1 42 105 A L H X S+ 0 0 14 -4,-2.0 4,-2.5 275,-0.2 -2,-0.2 0.891 111.0 49.5 -60.7 -42.1 12.1 -2.2 -19.3 43 106 A N H X S+ 0 0 30 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.910 111.6 48.9 -63.9 -41.7 15.5 -2.2 -17.7 44 107 A E H < S+ 0 0 50 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.904 112.5 48.2 -65.2 -40.9 15.1 1.4 -16.5 45 108 A Q H >< S+ 0 0 48 -4,-2.5 3,-1.5 1,-0.2 4,-0.3 0.903 109.3 53.7 -64.7 -41.4 11.7 0.5 -15.0 46 109 A F H >< S+ 0 0 19 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.831 104.1 55.4 -64.4 -31.8 13.1 -2.5 -13.4 47 110 A R T 3< S+ 0 0 131 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.392 81.3 88.7 -83.0 4.0 15.8 -0.5 -11.7 48 111 A L T < S+ 0 0 62 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.759 101.9 25.7 -69.6 -24.8 13.2 1.8 -10.1 49 112 A Q S < S- 0 0 94 -3,-0.9 2,-0.6 -4,-0.3 -1,-0.2 -0.994 95.6-103.2-136.8 145.2 13.2 -0.7 -7.2 50 113 A N + 0 0 153 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.561 52.0 173.4 -69.7 114.7 15.8 -3.1 -6.0 51 114 A T - 0 0 14 -2,-0.6 32,-0.6 -5,-0.2 2,-0.4 -0.987 20.7-155.7-134.9 133.5 14.6 -6.5 -7.3 52 115 A T E -c 83 0B 21 -2,-0.4 90,-2.7 30,-0.1 91,-1.5 -0.884 7.3-149.0-114.2 135.4 16.3 -9.9 -7.2 53 116 A I E -cd 84 143B 0 30,-2.6 32,-2.5 -2,-0.4 2,-0.4 -0.893 9.3-153.1-106.5 125.5 15.5 -12.7 -9.7 54 117 A G E -cd 85 144B 0 89,-3.1 91,-2.1 -2,-0.5 2,-0.5 -0.781 5.6-163.1 -94.4 142.8 15.9 -16.3 -8.5 55 118 A L E -cd 86 145B 0 30,-2.3 32,-3.0 -2,-0.4 2,-0.4 -0.974 5.2-160.9-128.1 116.8 16.6 -19.1 -10.9 56 119 A T E +cd 87 146B 2 89,-2.4 91,-1.9 -2,-0.5 2,-0.3 -0.790 14.0 169.9 -98.3 140.7 16.0 -22.7 -10.0 57 120 A V E -cd 88 147B 2 30,-2.4 32,-2.8 -2,-0.4 2,-0.5 -0.991 23.7-139.7-149.9 137.2 17.6 -25.7 -11.7 58 121 A F E +c 89 0B 15 89,-0.5 91,-0.3 -2,-0.3 2,-0.2 -0.869 19.0 174.4-103.6 126.2 17.7 -29.4 -10.8 59 122 A A E +c 90 0B 0 30,-3.4 32,-0.5 -2,-0.5 33,-0.4 -0.650 18.6 164.4-129.0 74.6 20.9 -31.4 -11.3 60 123 A I > - 0 0 11 -2,-0.2 3,-1.7 30,-0.2 2,-0.1 -0.764 56.1 -29.0 -97.9 136.8 20.1 -34.8 -9.8 61 124 A K G > S- 0 0 52 -2,-0.4 3,-1.3 1,-0.3 228,-0.1 -0.361 134.1 -1.9 58.4-129.6 22.2 -37.9 -10.5 62 125 A K G > S+ 0 0 85 226,-0.4 3,-1.7 1,-0.3 -1,-0.3 0.626 115.3 84.8 -71.4 -11.0 23.9 -37.8 -13.9 63 126 A Y G X + 0 0 43 -3,-1.7 3,-1.5 1,-0.3 4,-0.4 0.540 65.0 86.1 -70.2 -3.7 22.3 -34.4 -14.8 64 127 A V G X S+ 0 0 26 -3,-1.3 3,-1.2 1,-0.3 4,-0.4 0.759 74.4 74.0 -64.9 -20.3 25.1 -32.6 -13.0 65 128 A A G < S+ 0 0 84 -3,-1.7 4,-0.3 1,-0.2 -1,-0.3 0.712 91.1 55.0 -65.1 -22.1 27.1 -32.9 -16.2 66 129 A F G <> S+ 0 0 29 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.630 86.4 84.8 -83.7 -16.2 24.8 -30.1 -17.7 67 130 A L H <> S+ 0 0 0 -3,-1.2 4,-2.8 -4,-0.4 5,-0.3 0.831 80.3 57.5 -60.7 -41.8 25.6 -27.6 -15.0 68 131 A K H > S+ 0 0 109 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.940 113.8 37.1 -58.7 -50.0 28.8 -26.1 -16.3 69 132 A L H > S+ 0 0 67 -4,-0.3 4,-2.3 2,-0.2 84,-0.3 0.893 115.5 55.0 -71.2 -40.9 27.4 -25.0 -19.7 70 133 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 83,-0.3 0.959 115.0 38.8 -53.9 -53.5 24.1 -24.0 -18.2 71 134 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.916 114.1 52.7 -67.8 -45.7 25.7 -21.7 -15.6 72 135 A E H X S+ 0 0 81 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.888 114.3 43.3 -58.7 -38.8 28.4 -20.3 -17.9 73 136 A T H X S+ 0 0 20 -4,-2.3 4,-1.7 2,-0.2 3,-0.3 0.855 109.2 56.6 -77.7 -32.8 25.8 -19.3 -20.5 74 137 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.883 103.1 56.5 -62.3 -38.6 23.3 -17.9 -17.9 75 138 A E H < S+ 0 0 32 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 111.7 43.5 -60.0 -33.2 26.2 -15.6 -16.8 76 139 A K H < S+ 0 0 159 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.788 133.8 11.6 -79.6 -28.8 26.4 -14.3 -20.4 77 140 A H H < S+ 0 0 54 -4,-1.7 80,-2.6 79,-0.1 2,-0.7 0.571 95.8 97.4-132.4 -17.5 22.7 -14.0 -21.2 78 141 A F B < S-j 157 0D 0 -4,-2.9 80,-0.2 -5,-0.3 3,-0.2 -0.778 107.1 -38.1 -96.5 111.3 20.4 -14.2 -18.1 79 142 A M S > S- 0 0 2 78,-2.9 3,-2.2 -2,-0.7 -1,-0.2 0.808 78.2-167.2 51.5 37.8 19.3 -11.0 -16.4 80 143 A V T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.353 70.3 25.2 -59.9 128.4 22.6 -9.4 -17.0 81 144 A G T 3 S+ 0 0 72 1,-0.4 -1,-0.3 22,-0.2 2,-0.2 0.250 108.9 90.7 102.2 -10.6 22.9 -6.2 -15.0 82 145 A H S < S- 0 0 16 -3,-2.2 2,-0.4 -4,-0.1 -1,-0.4 -0.734 88.9 -86.8-116.6 163.3 20.4 -7.3 -12.4 83 146 A R E -c 52 0B 121 -32,-0.6 -30,-2.6 -2,-0.2 2,-0.4 -0.561 48.9-173.2 -71.3 122.1 20.7 -9.1 -9.1 84 147 A V E -ce 53 105B 2 20,-1.5 22,-2.4 -2,-0.4 2,-0.5 -0.964 16.9-169.5-124.4 134.8 20.6 -12.9 -9.7 85 148 A H E -ce 54 106B 9 -32,-2.5 -30,-2.3 -2,-0.4 2,-0.3 -0.953 14.2-156.3-122.7 107.1 20.4 -15.8 -7.1 86 149 A Y E -ce 55 107B 1 20,-3.3 22,-2.6 -2,-0.5 2,-0.5 -0.625 3.4-162.8 -78.7 141.4 20.9 -19.2 -8.6 87 150 A Y E -ce 56 108B 0 -32,-3.0 -30,-2.4 -2,-0.3 2,-0.7 -0.954 3.1-168.3-126.2 111.3 19.5 -22.2 -6.8 88 151 A V E -ce 57 109B 0 20,-2.5 22,-2.9 -2,-0.5 2,-0.6 -0.881 6.9-157.4-104.2 110.8 21.0 -25.6 -7.8 89 152 A F E +ce 58 110B 0 -32,-2.8 -30,-3.4 -2,-0.7 2,-0.3 -0.774 32.0 150.4 -85.3 121.6 19.0 -28.5 -6.4 90 153 A T E -ce 59 111B 0 20,-2.6 22,-1.9 -2,-0.6 -30,-0.2 -0.991 55.3-145.3-150.6 156.6 21.3 -31.6 -6.3 91 154 A D S S+ 0 0 47 -32,-0.5 3,-0.1 -2,-0.3 -31,-0.1 0.353 102.5 58.2 -95.1 1.1 22.1 -34.9 -4.6 92 155 A Q > + 0 0 66 -33,-0.4 3,-2.1 1,-0.1 4,-0.5 -0.619 58.8 169.3-129.5 74.0 25.7 -34.2 -5.3 93 156 A P G > S+ 0 0 50 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.859 81.4 55.4 -53.5 -36.5 26.7 -30.9 -3.7 94 157 A A G 3 S+ 0 0 108 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.609 98.8 63.5 -74.3 -11.1 30.4 -31.6 -4.3 95 158 A A G < S+ 0 0 40 -3,-2.1 -1,-0.2 2,-0.1 -4,-0.0 0.530 71.1 111.8 -90.1 -9.0 29.7 -32.1 -8.0 96 159 A V S < S- 0 0 24 -3,-1.2 -31,-0.1 -4,-0.5 13,-0.0 -0.553 72.6-124.4 -68.3 117.6 28.5 -28.5 -8.6 97 160 A P - 0 0 36 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.306 20.5-110.1 -66.4 144.8 31.2 -26.9 -10.8 98 161 A R - 0 0 245 2,-0.0 2,-0.5 0, 0.0 -30,-0.0 -0.662 42.5-176.2 -75.5 110.7 32.9 -23.7 -9.6 99 162 A V - 0 0 27 -2,-0.8 2,-0.3 -3,-0.0 -31,-0.0 -0.952 26.5-121.6-113.9 130.1 31.6 -21.0 -12.0 100 163 A T - 0 0 135 -2,-0.5 2,-0.4 1,-0.0 -25,-0.1 -0.511 31.9-152.9 -68.0 128.6 32.8 -17.4 -11.8 101 164 A L - 0 0 50 -2,-0.3 3,-0.1 4,-0.1 4,-0.1 -0.847 11.1-120.4-111.1 141.6 29.9 -15.0 -11.2 102 165 A G > - 0 0 35 -2,-0.4 3,-1.2 1,-0.2 -1,-0.1 -0.130 54.2 -70.3 -62.5 169.2 29.5 -11.4 -12.1 103 166 A T T 3 S+ 0 0 149 1,-0.2 -22,-0.2 -20,-0.0 -1,-0.2 -0.328 121.0 24.5 -65.5 145.3 28.9 -8.8 -9.4 104 167 A G T 3 S+ 0 0 32 1,-0.2 -20,-1.5 -3,-0.1 2,-0.4 0.626 101.0 109.3 75.5 13.5 25.5 -9.0 -7.7 105 168 A R E < +e 84 0B 26 -3,-1.2 2,-0.3 -22,-0.2 -1,-0.2 -0.953 42.3 175.6-123.6 138.1 25.1 -12.6 -8.6 106 169 A Q E -e 85 0B 95 -22,-2.4 -20,-3.3 -2,-0.4 2,-0.4 -0.984 18.8-144.5-143.1 157.9 25.2 -15.6 -6.3 107 170 A L E -e 86 0B 51 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.981 10.2-169.6-126.5 129.7 24.8 -19.4 -6.3 108 171 A S E -e 87 0B 17 -22,-2.6 -20,-2.5 -2,-0.4 2,-0.6 -0.969 14.9-143.0-118.7 132.3 23.3 -21.6 -3.5 109 172 A V E -e 88 0B 58 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.834 12.5-161.5 -96.1 121.5 23.4 -25.3 -3.6 110 173 A L E -e 89 0B 5 -22,-2.9 -20,-2.6 -2,-0.6 2,-0.5 -0.903 10.5-144.1-105.7 115.8 20.3 -27.1 -2.2 111 174 A E E +e 90 0B 143 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.659 31.2 162.8 -82.8 124.7 20.8 -30.7 -1.2 112 175 A V - 0 0 21 -22,-1.9 2,-0.0 -2,-0.5 -2,-0.0 -0.910 40.7 -84.2-138.1 163.6 17.8 -32.9 -1.9 113 176 A R - 0 0 179 -2,-0.3 2,-0.6 1,-0.1 -22,-0.0 -0.313 36.1-131.0 -65.9 148.9 16.9 -36.6 -2.2 114 177 A A - 0 0 44 -23,-0.1 2,-0.1 -54,-0.0 -1,-0.1 -0.916 20.2-144.7-103.7 113.3 17.4 -38.4 -5.5 115 178 A Y - 0 0 55 -2,-0.6 6,-0.1 1,-0.1 -55,-0.0 -0.446 10.5-131.6 -75.8 151.9 14.4 -40.4 -6.7 116 179 A K S S+ 0 0 187 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 0.955 87.7 60.5 -68.9 -55.1 14.9 -43.7 -8.5 117 180 A R S > S- 0 0 93 1,-0.1 4,-2.0 173,-0.1 3,-0.4 -0.604 77.1-138.3 -80.0 132.3 12.5 -43.2 -11.5 118 181 A W H > S+ 0 0 66 -2,-0.3 4,-2.6 171,-0.3 5,-0.2 0.823 105.2 61.6 -56.4 -31.7 13.3 -40.3 -13.8 119 182 A Q H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.936 106.7 44.8 -61.2 -44.2 9.5 -39.6 -13.9 120 183 A D H > S+ 0 0 24 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.848 109.2 55.5 -67.4 -36.3 9.6 -39.0 -10.1 121 184 A V H < S+ 0 0 31 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.944 114.5 40.6 -60.2 -45.8 12.8 -36.9 -10.4 122 185 A S H >< S+ 0 0 32 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.937 118.8 45.2 -67.2 -49.7 11.0 -34.6 -12.9 123 186 A M H >X S+ 0 0 18 -4,-2.9 3,-1.6 1,-0.2 4,-0.5 0.880 104.3 60.7 -64.0 -40.5 7.6 -34.6 -11.1 124 187 A R H 3X S+ 0 0 35 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.585 81.9 84.9 -70.1 -7.8 9.0 -34.0 -7.6 125 188 A R H <> S+ 0 0 30 -3,-1.0 4,-2.9 -4,-0.4 -1,-0.3 0.861 86.7 56.0 -57.4 -36.1 10.5 -30.7 -8.7 126 189 A M H <> S+ 0 0 2 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.938 109.3 44.1 -63.1 -47.0 7.1 -29.2 -8.0 127 190 A E H X S+ 0 0 43 -4,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.938 116.1 47.7 -61.1 -46.5 7.2 -30.4 -4.4 128 191 A M H X S+ 0 0 16 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.908 112.3 47.3 -65.9 -44.6 10.8 -29.3 -3.9 129 192 A I H X S+ 0 0 3 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.946 114.4 48.9 -57.7 -48.1 10.3 -25.8 -5.4 130 193 A S H X S+ 0 0 16 -4,-2.2 4,-1.3 -5,-0.3 3,-0.3 0.903 110.9 49.3 -59.0 -46.9 7.2 -25.4 -3.3 131 194 A D H X S+ 0 0 61 -4,-2.9 4,-2.1 1,-0.2 3,-0.3 0.922 113.1 47.1 -56.5 -46.9 9.0 -26.5 -0.1 132 195 A F H X>S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 5,-2.4 0.646 98.9 67.7 -78.9 -13.8 11.9 -24.2 -0.8 133 196 A C H <>S+ 0 0 0 -4,-1.3 5,-2.2 -3,-0.3 6,-0.3 0.938 109.4 39.8 -62.0 -46.7 9.6 -21.3 -1.5 134 197 A E H <5S+ 0 0 132 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.1 0.959 120.2 43.7 -61.6 -53.9 8.7 -21.5 2.2 135 198 A R H <5S- 0 0 160 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.851 137.3 -17.9 -67.5 -38.1 12.2 -22.2 3.4 136 199 A R T >X5S+ 0 0 67 -4,-2.4 4,-1.3 -5,-0.1 3,-0.8 0.684 114.7 68.9-138.7 -48.9 14.2 -19.7 1.4 137 200 A F H 3> - 0 0 2 -2,-0.4 3,-2.0 -80,-0.2 4,-0.2 -0.397 62.8 -51.8-132.0-158.7 15.9 -10.5 -19.4 159 222 A V G > S+ 0 0 8 1,-0.3 3,-1.5 2,-0.2 -120,-0.0 0.607 107.7 85.9 -68.6 -10.4 13.3 -8.6 -17.4 160 223 A E G 3 S+ 0 0 0 1,-0.3 -1,-0.3 -123,-0.0 -122,-0.0 0.743 89.5 53.0 -55.7 -23.8 10.9 -8.7 -20.4 161 224 A I G < S+ 0 0 0 -3,-2.0 -1,-0.3 93,-0.0 2,-0.2 0.632 84.7 108.9 -86.9 -14.5 9.8 -12.1 -19.0 162 225 A L < + 0 0 12 -3,-1.5 3,-0.1 -4,-0.2 -17,-0.0 -0.460 36.2 119.6 -79.0 137.1 9.1 -10.9 -15.5 163 226 A T S S- 0 0 14 -2,-0.2 3,-0.2 91,-0.1 47,-0.1 -0.926 77.1 -78.8-178.8 165.9 5.4 -10.8 -14.3 164 227 A P S S+ 0 0 66 0, 0.0 46,-1.8 0, 0.0 2,-0.3 0.896 113.4 3.2 -57.6 -37.5 3.3 -12.4 -11.6 165 228 A L E S+G 209 0B 5 44,-0.3 88,-2.0 48,-0.1 89,-1.5 -0.943 70.8 175.3-152.3 125.3 2.9 -15.7 -13.6 166 229 A F E -Gh 208 254B 0 42,-3.2 42,-1.9 -2,-0.3 2,-0.3 -0.980 9.9-174.3-133.0 148.7 4.3 -16.9 -16.9 167 230 A G E - h 0 255B 0 87,-1.2 89,-2.8 -2,-0.4 2,-0.4 -0.825 22.5-128.3-122.6 171.0 4.4 -20.0 -19.0 168 231 A T E - h 0 256B 0 38,-0.5 35,-2.7 35,-0.4 2,-0.3 -0.972 22.6-111.4-124.6 132.6 6.3 -20.6 -22.3 169 232 A L B -M 202 0F 2 87,-3.0 33,-0.2 -2,-0.4 92,-0.1 -0.443 37.0-120.0 -60.3 123.8 5.0 -21.9 -25.6 170 233 A H >> - 0 0 47 31,-2.6 3,-1.3 -2,-0.3 4,-0.8 -0.444 17.2-132.0 -66.5 135.9 6.4 -25.4 -26.2 171 234 A P T 34 S+ 0 0 14 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.721 101.5 56.4 -67.5 -20.8 8.4 -25.4 -29.4 172 235 A G T 34 S+ 0 0 43 1,-0.2 -2,-0.1 2,-0.1 90,-0.0 0.604 117.7 29.9 -84.8 -11.2 6.7 -28.5 -30.8 173 236 A F T X4 S+ 0 0 40 -3,-1.3 3,-2.0 28,-0.2 -1,-0.2 0.369 76.5 109.1-131.9 4.9 3.2 -27.2 -30.6 174 237 A Y T 3< S+ 0 0 44 -4,-0.8 130,-0.4 1,-0.3 131,-0.2 0.845 93.3 38.9 -60.3 -32.0 3.1 -23.4 -31.0 175 238 A G T 3 S+ 0 0 51 -4,-0.2 -1,-0.3 129,-0.1 2,-0.2 0.273 99.7 107.5 -97.1 11.7 1.5 -23.7 -34.5 176 239 A S S < S- 0 0 33 -3,-2.0 128,-0.2 1,-0.1 2,-0.2 -0.527 70.5-114.9 -94.0 155.3 -0.8 -26.6 -33.6 177 240 A S >> - 0 0 56 -2,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.575 36.0-108.5 -81.5 155.6 -4.5 -26.8 -33.0 178 241 A R G >4 S+ 0 0 21 1,-0.3 3,-1.0 2,-0.2 5,-0.3 0.773 114.9 62.4 -60.5 -30.6 -5.7 -27.6 -29.5 179 242 A E G 34 S+ 0 0 99 1,-0.3 -1,-0.3 3,-0.1 17,-0.1 0.784 102.5 52.1 -65.5 -25.8 -6.8 -31.2 -30.4 180 243 A A G <4 S+ 0 0 57 -3,-1.8 -1,-0.3 -7,-0.1 -2,-0.2 0.594 84.5 112.4 -86.0 -13.1 -3.3 -32.0 -31.4 181 244 A F S << S- 0 0 7 -3,-1.0 2,-0.9 -4,-0.5 -8,-0.0 -0.359 73.7-128.6 -58.2 138.8 -1.9 -30.8 -28.0 182 245 A T + 0 0 43 -2,-0.1 -1,-0.1 55,-0.0 55,-0.1 -0.204 53.3 149.6 -89.0 47.7 -0.6 -33.7 -25.9 183 246 A Y - 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