==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-NOV-00 1G8O . COMPND 2 MOLECULE: N-ACETYLLACTOSAMINIDE ALPHA-1,3- . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR L.N.GASTINEL,C.BIGON,A.K.MISRA,O.HINDSGAUL,J.H.SHAPER, . 287 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 6.6 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 . 1 0.3 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 0 0 0 0 0 1 0 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 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 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 81 A S 0 0 146 0, 0.0 2,-2.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-104.5 115.5 34.9 49.0 2 82 A K + 0 0 153 1,-0.0 2,-0.6 2,-0.0 0, 0.0 0.256 360.0 103.4 -10.5 -12.9 118.1 34.3 46.2 3 83 A L - 0 0 40 -2,-2.9 2,-0.2 3,-0.0 -1,-0.0 -0.771 45.7-174.0-100.0 119.8 115.6 33.3 43.4 4 84 A K > - 0 0 143 -2,-0.6 3,-1.3 1,-0.1 4,-0.5 -0.681 34.0-119.3-100.8 155.2 114.6 35.6 40.5 5 85 A L G >> S+ 0 0 59 1,-0.3 4,-2.3 -2,-0.2 3,-1.1 0.878 112.7 58.7 -61.3 -39.9 111.9 34.9 37.9 6 86 A S G 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.655 91.7 75.1 -64.8 -14.4 114.4 35.2 35.0 7 87 A D G <4 S+ 0 0 74 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.817 121.0 0.1 -66.6 -34.2 116.4 32.4 36.7 8 88 A W T <4 S+ 0 0 21 -3,-1.1 26,-1.5 -4,-0.5 2,-0.5 0.524 116.6 80.6-133.7 -13.6 114.0 29.6 35.6 9 89 A F B < +A 33 0A 12 -4,-2.3 24,-0.2 24,-0.2 -1,-0.1 -0.896 40.7 172.1-112.1 131.0 111.2 31.2 33.6 10 90 A N > - 0 0 61 22,-2.2 3,-1.8 -2,-0.5 4,-0.3 -0.839 11.9-169.3-133.6 92.6 111.3 32.3 30.0 11 91 A P G > S+ 0 0 37 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.798 78.4 74.6 -55.4 -28.4 107.9 33.4 28.6 12 92 A F G 3 S+ 0 0 173 1,-0.3 20,-0.1 20,-0.1 0, 0.0 0.517 78.5 69.6 -65.5 -5.9 109.3 33.4 25.0 13 93 A K G < S+ 0 0 139 -3,-1.8 -1,-0.3 1,-0.3 19,-0.1 0.653 110.2 37.4 -85.0 -10.6 109.3 29.6 24.6 14 94 A R X + 0 0 7 -3,-2.1 3,-0.6 -4,-0.3 -1,-0.3 -0.698 67.8 155.3-137.4 79.3 105.5 29.9 24.6 15 95 A P T 3 + 0 0 105 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.827 67.9 61.0 -76.6 -32.4 104.5 33.1 22.7 16 96 A E T 3 S+ 0 0 98 2,-0.1 2,-0.3 3,-0.0 252,-0.1 0.405 100.6 58.0 -76.8 -0.7 100.9 32.0 21.7 17 97 A V S < S- 0 0 15 -3,-0.6 2,-0.7 251,-0.0 -3,-0.1 -0.886 97.3 -91.7-127.0 159.4 99.5 31.6 25.3 18 98 A V + 0 0 64 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.602 48.8 163.4 -75.5 115.2 99.2 33.9 28.2 19 99 A T + 0 0 19 -2,-0.7 8,-2.1 1,-0.2 2,-0.3 0.472 61.2 40.2-110.2 -8.4 102.4 33.5 30.3 20 100 A M B S-B 26 0B 74 6,-0.2 -1,-0.2 -9,-0.0 2,-0.1 -0.994 72.2-140.4-143.5 135.9 102.4 36.6 32.5 21 101 A T > - 0 0 11 4,-2.3 3,-1.7 -2,-0.3 6,-0.0 -0.379 33.5-103.5 -88.2 173.9 99.5 38.3 34.2 22 102 A K T 3 S+ 0 0 191 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.695 125.5 53.0 -72.0 -16.1 98.9 42.0 34.6 23 103 A W T 3 S- 0 0 71 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.242 124.6-107.1-100.7 15.0 100.1 41.8 38.2 24 104 A K < + 0 0 150 -3,-1.7 -2,-0.1 1,-0.2 -4,-0.0 0.860 68.2 147.4 64.6 44.6 103.2 40.1 36.9 25 105 A A - 0 0 3 224,-0.0 -4,-2.3 226,-0.0 -1,-0.2 -0.875 47.3-119.7-105.5 137.0 102.6 36.5 38.0 26 106 A P B -B 20 0B 9 0, 0.0 226,-2.1 0, 0.0 2,-0.6 -0.469 12.6-147.1 -75.5 152.0 104.0 33.8 35.7 27 107 A V E -c 252 0C 0 -8,-2.1 2,-0.6 224,-0.2 226,-0.2 -0.983 23.6-134.4-119.6 113.6 101.6 31.3 34.2 28 108 A V E +c 253 0C 0 224,-2.3 226,-2.2 -2,-0.6 2,-0.3 -0.583 32.5 167.6 -81.0 116.5 103.5 28.0 33.9 29 109 A W > - 0 0 1 -2,-0.6 3,-2.4 224,-0.1 4,-0.4 -0.883 47.5 -80.3-122.3 156.1 103.3 26.1 30.6 30 110 A E T 3 S+ 0 0 43 -2,-0.3 240,-0.1 1,-0.3 -1,-0.1 -0.234 119.0 21.9 -51.7 135.0 105.2 23.2 29.2 31 111 A G T 3 S+ 0 0 40 2,-0.2 -1,-0.3 -3,-0.0 -17,-0.0 0.099 102.0 86.4 92.8 -22.7 108.5 24.6 27.8 32 112 A T S < S+ 0 0 2 -3,-2.4 -22,-2.2 -19,-0.1 2,-0.3 0.492 78.9 71.5 -86.9 -5.7 108.7 27.9 29.9 33 113 A Y B -A 9 0A 31 -4,-0.4 2,-0.8 -24,-0.2 -24,-0.2 -0.866 64.7-143.4-120.8 149.0 110.4 26.5 33.0 34 114 A N > + 0 0 65 -26,-1.5 4,-1.5 -2,-0.3 5,-0.2 -0.803 22.9 172.9-105.6 91.8 113.9 25.2 33.9 35 115 A R H > S+ 0 0 37 -2,-0.8 4,-3.3 1,-0.2 5,-0.2 0.910 73.9 63.0 -65.1 -43.0 113.2 22.3 36.3 36 116 A A H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.904 106.8 44.2 -48.5 -49.0 116.9 21.3 36.5 37 117 A V H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 114.7 47.1 -66.7 -40.5 117.8 24.6 38.0 38 118 A L H X S+ 0 0 1 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.855 103.6 61.1 -73.0 -33.7 115.0 24.7 40.5 39 119 A D H X S+ 0 0 47 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.969 111.1 42.3 -55.6 -47.9 115.5 21.1 41.6 40 120 A N H X S+ 0 0 99 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.935 113.5 50.6 -62.8 -49.0 119.0 22.2 42.8 41 121 A Y H X S+ 0 0 46 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.961 118.0 39.3 -55.4 -50.1 117.9 25.5 44.3 42 122 A Y H <>S+ 0 0 24 -4,-3.0 5,-1.4 1,-0.2 3,-0.4 0.890 112.0 53.1 -68.8 -43.2 115.2 23.8 46.3 43 123 A A H ><5S+ 0 0 51 -4,-3.0 3,-1.3 -5,-0.3 -1,-0.2 0.852 105.0 57.8 -61.8 -33.1 117.0 20.6 47.3 44 124 A K H 3<5S+ 0 0 173 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.865 107.1 48.0 -65.7 -30.8 119.8 22.8 48.7 45 125 A Q T 3<5S- 0 0 89 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.451 112.0-126.5 -84.7 -2.1 117.2 24.5 50.9 46 126 A K T < 5 - 0 0 177 -3,-1.3 2,-0.2 -4,-0.2 -3,-0.2 0.965 38.8-169.0 53.3 56.7 115.9 21.0 51.9 47 127 A I < - 0 0 13 -5,-1.4 2,-0.4 91,-0.1 -1,-0.2 -0.532 10.2-159.8 -79.8 139.3 112.4 21.9 50.9 48 128 A T - 0 0 24 -2,-0.2 91,-3.3 31,-0.1 92,-1.4 -0.979 5.5-152.7-120.9 138.2 109.6 19.6 51.9 49 129 A V E -de 81 140C 0 31,-2.5 33,-1.7 -2,-0.4 2,-0.3 -0.936 2.2-152.0-116.7 126.7 106.2 19.6 50.1 50 130 A G E -de 82 141C 0 90,-3.4 92,-2.5 -2,-0.5 2,-0.4 -0.666 6.2-167.5 -94.5 153.2 102.9 18.6 51.5 51 131 A L E -de 83 142C 0 31,-2.2 33,-2.5 -2,-0.3 2,-0.3 -0.925 5.0-161.2-137.7 108.4 99.8 17.2 49.6 52 132 A T E +de 84 143C 4 90,-2.9 92,-2.3 -2,-0.4 2,-0.3 -0.684 14.1 171.7 -90.4 149.4 96.3 16.9 51.1 53 133 A V E -de 85 144C 0 31,-1.8 33,-2.6 -2,-0.3 2,-0.4 -0.933 16.4-154.2-157.4 130.9 93.7 14.6 49.6 54 134 A F E +d 86 0C 17 90,-0.6 92,-0.5 -2,-0.3 2,-0.3 -0.835 12.7 175.5-106.6 143.5 90.2 13.6 50.8 55 135 A A E +d 87 0C 2 31,-2.4 33,-0.7 -2,-0.4 2,-0.4 -0.858 9.2 169.3-151.1 109.8 88.4 10.4 49.8 56 136 A V > - 0 0 8 -2,-0.3 3,-1.2 31,-0.2 2,-0.2 -0.962 51.0 -16.9-126.8 142.5 85.1 9.6 51.4 57 137 A G T > S- 0 0 10 -2,-0.4 3,-1.1 1,-0.3 4,-0.5 -0.469 129.6 -5.4 72.8-135.8 82.5 6.9 50.6 58 138 A R T 3> S+ 0 0 120 1,-0.2 4,-2.3 -2,-0.2 3,-0.5 0.805 121.3 78.1 -65.2 -28.8 82.7 5.2 47.2 59 139 A Y H <>>S+ 0 0 44 -3,-1.2 4,-3.0 1,-0.2 5,-1.1 0.790 84.0 64.8 -52.0 -30.8 85.5 7.6 46.2 60 140 A I H <>>S+ 0 0 1 -3,-1.1 4,-0.9 2,-0.2 5,-0.7 0.968 110.1 33.5 -58.0 -56.9 88.0 5.5 48.2 61 141 A E H 45S+ 0 0 103 -4,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.862 122.2 50.8 -69.5 -34.3 87.7 2.4 46.1 62 142 A H H <5S- 0 0 114 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.886 131.8 -4.3 -72.7 -38.4 87.2 4.4 42.9 63 143 A Y H X5S+ 0 0 24 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.704 101.0 86.2-132.6 -23.6 90.1 6.8 43.1 64 144 A L H X S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 84,-0.3 0.913 113.9 50.6 -65.0 -38.1 95.3 5.5 41.5 67 147 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 83,-0.3 0.982 115.0 42.0 -62.9 -51.4 95.7 9.0 42.8 68 148 A L H X S+ 0 0 5 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.900 113.7 52.3 -62.2 -43.5 98.4 8.0 45.4 69 149 A T H X S+ 0 0 68 -4,-3.0 4,-1.4 -5,-0.2 -1,-0.2 0.917 114.0 42.4 -60.6 -43.5 100.2 5.6 43.0 70 150 A S H X S+ 0 0 9 -4,-2.2 4,-2.0 -5,-0.3 5,-0.3 0.880 113.5 53.0 -73.9 -33.6 100.5 8.3 40.4 71 151 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.934 106.2 53.3 -62.7 -44.0 101.4 10.9 43.0 72 152 A N H < S+ 0 0 35 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.903 115.7 40.9 -56.7 -41.2 104.2 8.7 44.4 73 153 A K H < S+ 0 0 143 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.782 130.7 19.6 -81.2 -28.8 105.7 8.4 40.9 74 154 A H H >< S+ 0 0 30 -4,-2.0 80,-2.3 -5,-0.1 2,-0.7 0.642 89.8 99.9-120.5 -17.2 105.3 11.9 39.6 75 155 A F B 3< S-j 154 0D 0 -4,-2.8 4,-0.2 -5,-0.3 80,-0.2 -0.663 107.1 -32.1 -85.1 113.6 104.8 14.6 42.4 76 156 A M T > S- 0 0 1 78,-2.7 3,-1.3 -2,-0.7 -1,-0.2 0.891 80.5-160.8 48.8 47.5 107.9 16.6 43.3 77 157 A V T < S+ 0 0 77 -3,-0.5 79,-0.2 1,-0.2 -1,-0.1 -0.305 72.4 30.3 -58.9 141.0 110.2 13.6 42.6 78 158 A G T 3 S+ 0 0 46 22,-0.3 -1,-0.2 1,-0.2 23,-0.1 0.622 107.8 84.6 85.5 11.4 113.6 14.1 44.2 79 159 A H S < S- 0 0 4 -3,-1.3 -1,-0.2 -4,-0.2 -31,-0.1 -0.991 90.2 -90.0-141.5 150.4 112.2 16.1 47.2 80 160 A P - 0 0 52 0, 0.0 -31,-2.5 0, 0.0 2,-0.4 -0.370 48.5-176.1 -61.4 134.7 110.7 15.1 50.5 81 161 A V E -df 49 102C 1 20,-3.0 22,-1.3 -33,-0.2 2,-0.5 -0.996 15.4-161.1-134.4 142.1 106.9 14.8 50.2 82 162 A I E -df 50 103C 33 -33,-1.7 -31,-2.2 -2,-0.4 2,-0.5 -0.985 9.0-152.8-124.7 121.7 104.3 14.0 52.8 83 163 A F E -df 51 104C 2 20,-2.2 22,-1.9 -2,-0.5 2,-0.7 -0.848 5.2-159.6 -95.5 123.9 100.8 12.8 51.7 84 164 A Y E -df 52 105C 1 -33,-2.5 -31,-1.8 -2,-0.5 2,-0.6 -0.928 12.1-164.0-105.9 108.4 98.0 13.7 54.2 85 165 A I E -df 53 106C 3 20,-2.9 22,-3.1 -2,-0.7 2,-0.6 -0.838 8.9-169.9-103.6 119.6 95.1 11.4 53.6 86 166 A M E +df 54 107C 3 -33,-2.6 -31,-2.4 -2,-0.6 2,-0.3 -0.948 20.0 157.3-109.7 116.5 91.7 12.2 55.0 87 167 A V E -df 55 108C 0 20,-2.4 22,-2.8 -2,-0.6 3,-0.2 -0.891 44.3-136.2-133.0 161.7 89.2 9.3 54.7 88 168 A D S S+ 0 0 25 -33,-0.7 2,-0.4 -2,-0.3 -32,-0.1 0.689 101.1 37.2 -91.6 -20.8 85.9 8.4 56.5 89 169 A D > - 0 0 53 1,-0.1 3,-1.6 -32,-0.1 4,-0.3 -0.847 62.2-175.8-133.3 98.0 86.8 4.8 56.8 90 170 A V G > S+ 0 0 76 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.811 81.7 67.0 -65.4 -26.9 90.5 4.0 57.4 91 171 A S G 3 S+ 0 0 97 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.603 102.4 47.8 -68.3 -10.7 90.0 0.2 57.1 92 172 A R G < S+ 0 0 93 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.432 83.5 114.1-108.1 -0.0 89.1 0.6 53.5 93 173 A M < - 0 0 19 -3,-1.3 -32,-0.1 -4,-0.3 2,-0.1 -0.571 69.3-119.9 -78.8 129.8 92.0 2.8 52.5 94 174 A P - 0 0 25 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.352 17.7-145.4 -65.7 142.0 94.5 1.2 50.1 95 175 A L - 0 0 138 -2,-0.1 2,-0.2 3,-0.0 -30,-0.0 -0.911 23.5-179.3-112.0 103.7 98.1 0.9 51.3 96 176 A I - 0 0 32 -2,-0.7 2,-0.4 1,-0.0 -31,-0.0 -0.652 33.7-103.2-101.7 161.7 100.5 1.3 48.5 97 177 A E - 0 0 181 -2,-0.2 2,-0.3 1,-0.0 -25,-0.1 -0.695 36.9-148.2 -82.7 131.0 104.2 1.1 48.7 98 178 A L - 0 0 40 -2,-0.4 3,-0.1 4,-0.1 -29,-0.1 -0.703 9.0-134.5 -98.5 155.0 105.8 4.6 48.6 99 179 A G > - 0 0 22 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 -0.288 47.2 -40.4 -98.1-175.4 109.2 5.3 47.1 100 180 A P T 3 S+ 0 0 120 0, 0.0 -22,-0.3 0, 0.0 -1,-0.2 -0.090 125.2 9.5 -45.5 133.3 112.2 7.4 48.1 101 181 A L T 3 S+ 0 0 91 1,-0.2 -20,-3.0 -3,-0.1 2,-0.4 0.564 103.3 109.4 69.3 10.3 111.4 10.7 49.9 102 182 A R E < +f 81 0C 22 -3,-1.9 2,-0.3 -22,-0.2 -1,-0.2 -0.900 32.5 151.2-112.1 148.6 107.7 10.0 50.2 103 183 A S E -f 82 0C 62 -22,-1.3 -20,-2.2 -2,-0.4 2,-0.3 -0.915 17.0-170.8-155.9 176.3 105.9 9.2 53.5 104 184 A F E -f 83 0C 77 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.971 17.0-147.1-161.8 176.0 102.4 9.8 54.7 105 185 A K E -f 84 0C 72 -22,-1.9 -20,-2.9 -2,-0.3 2,-0.3 -0.951 16.6-141.0-153.0 149.7 99.8 9.9 57.4 106 186 A V E -f 85 0C 48 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.881 10.2-166.1-114.9 142.7 96.0 9.2 57.5 107 187 A F E -f 86 0C 56 -22,-3.1 -20,-2.4 -2,-0.3 2,-0.5 -0.983 18.0-133.5-131.3 140.0 93.3 10.9 59.4 108 188 A K E -f 87 0C 148 -2,-0.4 2,-0.3 -22,-0.2 -20,-0.2 -0.800 29.7-171.2 -90.5 130.3 89.7 9.7 59.9 109 189 A I - 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0 0 33 -46,-2.0 4,-3.0 -2,-0.3 5,-0.3 -0.500 66.8-111.4 -77.2 156.6 102.9 28.2 51.7 208 288 A P H > S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.886 120.7 56.3 -54.6 -38.1 100.9 26.7 54.6 209 289 A T H > S+ 0 0 79 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.921 111.0 42.7 -59.2 -47.3 100.4 30.3 55.9 210 290 A Q H >> S+ 0 0 47 -49,-0.2 4,-2.4 1,-0.2 3,-0.5 0.949 112.1 52.5 -65.6 -49.7 98.8 31.2 52.5 211 291 A V H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 5,-0.2 0.829 104.9 58.0 -58.4 -30.2 96.7 28.1 52.3 212 292 A L H 3X S+ 0 0 32 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.3 0.921 108.4 44.7 -64.1 -43.4 95.5 28.7 55.7 213 293 A N H S+ 0 0 3 -4,-2.1 5,-2.0 2,-0.2 -1,-0.2 0.916 109.6 51.0 -56.4 -46.0 75.9 31.6 52.7 226 306 A K H ><5S+ 0 0 147 -4,-1.6 3,-1.8 1,-0.2 -1,-0.2 0.944 109.0 52.6 -57.3 -45.4 74.5 28.7 54.7 227 307 A K H 3<5S+ 0 0 173 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.866 112.8 44.1 -55.7 -39.2 73.4 31.3 57.2 228 308 A N T 3<5S- 0 0 97 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.145 117.1-115.1 -94.0 18.2 71.6 33.3 54.4 229 309 A D T < 5S+ 0 0 153 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.851 75.6 114.9 49.7 48.8 70.2 30.1 53.0 230 310 A I < - 0 0 26 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.2 -0.960 49.6-152.1-141.1 153.0 72.0 30.2 49.6 231 311 A E - 0 0 71 -2,-0.3 -45,-0.1 -3,-0.1 4,-0.1 -0.949 26.8-118.2-134.1 113.3 74.5 27.9 48.1 232 312 A A > - 0 0 2 -2,-0.4 3,-2.1 1,-0.1 6,-0.1 -0.073 31.3-114.9 -46.3 140.2 77.1 29.2 45.5 233 313 A Q T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 -53,-0.1 0.834 112.5 27.6 -56.4 -35.9 76.6 27.5 42.2 234 314 A W T >> S- 0 0 42 1,-0.3 3,-1.1 -55,-0.1 4,-0.5 -0.083 99.9-146.8-115.5 33.6 79.9 25.7 42.1 235 315 A H H X> S+ 0 0 15 -3,-2.1 4,-1.7 1,-0.2 3,-1.0 -0.049 74.0 5.9 45.0-124.3 80.3 25.6 45.9 236 316 A D H 3> S+ 0 0 7 1,-0.3 4,-2.8 -120,-0.2 -1,-0.2 0.900 128.2 61.6 -55.7 -42.3 83.9 25.8 47.2 237 317 A E H <> S+ 0 0 12 -3,-1.1 4,-1.9 1,-0.2 -1,-0.3 0.823 102.9 49.5 -53.6 -35.3 85.2 26.5 43.7 238 318 A S H X S+ 0 0 54 -4,-2.2 4,-1.9 1,-0.2 3,-1.0 0.969 113.9 48.4 -59.4 -48.3 86.1 35.2 44.8 243 323 A Y H 3X S+ 0 0 13 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.925 111.1 48.3 -56.0 -50.2 89.2 34.7 47.1 244 324 A F H 3< S+ 0 0 0 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.631 107.3 57.5 -68.2 -12.6 91.6 34.7 44.2 245 325 A L H << S+ 0 0 19 -4,-1.1 3,-0.3 -3,-1.0 -1,-0.2 0.899 114.3 37.4 -81.5 -42.2 90.1 37.8 42.7 246 326 A L H < S+ 0 0 111 -4,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.780 130.1 31.8 -77.4 -28.0 90.7 39.7 45.9 247 327 A N S < S- 0 0 71 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.828 89.8-144.3-133.6 90.0 94.1 38.1 46.6 248 328 A K - 0 0 77 -2,-0.4 -3,-0.1 -3,-0.3 -4,-0.1 -0.214 21.0-108.5 -61.0 141.0 95.7 37.3 43.3 249 329 A P - 0 0 0 0, 0.0 -86,-0.2 0, 0.0 3,-0.1 -0.403 14.6-139.7 -68.4 148.0 97.8 34.1 43.1 250 330 A T S S+ 0 0 55 -88,-1.5 2,-0.3 1,-0.2 -87,-0.2 0.593 90.6 20.6 -82.3 -12.0 101.6 34.7 42.9 251 331 A K E - i 0 163C 12 -89,-1.4 -87,-2.1 -226,-0.2 2,-0.4 -0.978 68.2-161.8-153.5 144.5 101.7 31.9 40.3 252 332 A I E -ci 27 164C 0 -226,-2.1 -224,-2.3 -2,-0.3 2,-0.4 -0.974 14.9-138.0-128.3 141.7 99.2 30.2 38.1 253 333 A L E -ci 28 165C 0 -89,-3.2 -87,-2.2 -2,-0.4 -224,-0.1 -0.839 21.3-120.0-103.1 138.1 99.5 26.8 36.4 254 334 A S > - 0 0 0 -226,-2.2 3,-2.3 -2,-0.4 4,-0.2 -0.188 36.0 -96.2 -68.0 165.9 98.4 26.2 32.8 255 335 A P G > S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 19,-0.1 0.567 116.3 80.4 -58.8 -11.7 95.7 23.7 31.9 256 336 A E G 3 S+ 0 0 0 1,-0.2 17,-3.0 -228,-0.2 18,-1.2 0.748 88.3 56.9 -69.1 -20.7 98.5 21.2 31.2 257 337 A Y G < S+ 0 0 0 -3,-2.3 -1,-0.2 1,-0.2 15,-0.1 0.631 123.2 19.9 -85.9 -13.8 98.7 20.7 35.0 258 338 A C S < S+ 0 0 0 -3,-0.9 -90,-0.4 -4,-0.2 2,-0.3 -0.466 85.1 174.3-153.9 73.5 95.0 19.7 35.3 259 339 A W B -l 275 0E 0 15,-3.3 17,-1.9 -3,-0.4 2,-0.6 -0.640 24.8-152.1 -91.4 137.6 93.7 18.6 31.9 260 340 A D > - 0 0 11 -2,-0.3 3,-1.8 15,-0.2 4,-0.2 -0.930 5.8-158.2-104.8 112.3 90.3 17.1 31.0 261 341 A Y G > S+ 0 0 111 -2,-0.6 3,-1.0 1,-0.3 -1,-0.1 0.536 84.5 80.8 -71.2 -1.8 90.8 14.8 28.0 262 342 A H G 3 S+ 0 0 150 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.740 86.5 59.6 -70.3 -22.6 87.0 15.2 27.3 263 343 A I G < S- 0 0 53 -3,-1.8 2,-0.4 1,-0.3 -1,-0.2 0.594 112.5-128.2 -79.4 -10.9 88.0 18.5 25.7 264 344 A G < - 0 0 34 -3,-1.0 -1,-0.3 -4,-0.2 0, 0.0 -0.806 37.2 -63.8 98.9-139.6 90.2 16.6 23.3 265 345 A L - 0 0 107 -2,-0.4 -1,-0.1 -3,-0.1 -4,-0.1 -0.399 53.6-166.4-154.3 73.8 93.8 17.6 22.9 266 346 A P > - 0 0 49 0, 0.0 3,-1.7 0, 0.0 -2,-0.0 0.006 38.2-105.0 -59.1 160.9 94.6 21.1 21.5 267 347 A A T 3 S+ 0 0 87 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.909 119.7 62.0 -49.6 -45.6 97.9 22.5 20.1 268 348 A D T 3 S+ 0 0 23 1,-0.2 2,-1.4 -252,-0.1 -1,-0.3 0.679 84.8 78.3 -56.2 -25.6 98.1 24.5 23.4 269 349 A I < + 0 0 10 -3,-1.7 3,-0.2 1,-0.2 -1,-0.2 -0.678 57.3 164.6 -94.3 85.3 98.2 21.3 25.6 270 350 A K - 0 0 106 -2,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.908 66.0 -0.5 -66.7 -54.6 101.9 20.4 25.1 271 351 A L S S- 0 0 56 -119,-0.0 2,-0.5 0, 0.0 -1,-0.3 -0.915 71.2-139.3-146.5 116.7 102.6 17.9 27.9 272 352 A V + 0 0 12 -2,-0.3 -15,-0.2 -3,-0.2 3,-0.1 -0.649 19.4 178.6 -81.7 121.0 99.9 16.9 30.5 273 353 A K S S+ 0 0 0 -17,-3.0 -122,-3.2 -2,-0.5 -121,-1.6 0.811 73.8 10.7 -87.5 -33.2 101.1 16.6 34.0 274 354 A M E -K 150 0E 0 -18,-1.2 -15,-3.3 -124,-0.3 2,-0.3 -0.988 64.7-168.3-150.8 139.1 97.7 15.7 35.5 275 355 A S E -Kl 149 259E 5 -126,-2.4 -126,-2.7 -2,-0.3 -15,-0.2 -0.897 26.2-110.7-127.2 155.2 94.3 14.8 34.1 276 356 A W E -K 148 0E 28 -17,-1.9 -128,-0.2 -2,-0.3 -15,-0.2 -0.196 22.3-164.6 -71.1 171.5 90.8 14.4 35.5 277 357 A Q - 0 0 49 -130,-1.2 2,-0.2 1,-0.8 -129,-0.1 0.673 57.3 -51.2-124.0 -57.3 89.3 11.0 35.7 278 358 A T S S+ 0 0 94 -131,-0.4 -1,-0.8 0, 0.0 2,-0.3 -0.714 74.1 154.7-166.9-155.2 85.4 11.2 36.3 279 359 A K - 0 0 31 -2,-0.2 -131,-0.0 1,-0.2 3,-0.0 -0.830 42.8 -66.6 169.6-147.8 83.9 13.3 39.0 280 360 A E S S- 0 0 53 -2,-0.3 2,-0.4 -165,-0.0 -1,-0.2 0.358 84.2 -55.8-120.3 -93.4 81.0 15.4 40.5 281 361 A Y + 0 0 143 -47,-0.0 2,-0.3 2,-0.0 -2,-0.0 -0.694 62.8 164.9-166.3 111.3 80.1 18.5 38.7 282 362 A N - 0 0 26 -2,-0.4 2,-1.0 -45,-0.0 -82,-0.0 -0.605 60.3 -73.7-115.9 160.8 83.0 20.7 38.3 283 363 A V + 0 0 2 -2,-0.3 -114,-0.3 -49,-0.1 2,-0.2 -0.586 67.2 157.9 -76.0 100.1 82.3 23.5 35.7 284 364 A V - 0 0 28 -2,-1.0 2,-0.3 -115,-0.1 -114,-0.0 -0.566 58.4-105.7-108.5 172.3 82.4 21.9 32.2 285 365 A R S S+ 0 0 156 -2,-0.2 -2,-0.1 0, 0.0 2,-0.0 -0.270 84.7 122.8 -93.2 48.6 80.7 23.4 29.2 286 366 A N 0 0 65 -2,-0.3 -3,-0.0 1,-0.1 0, 0.0 0.032 360.0 360.0 -92.9-161.5 78.1 20.6 29.6 287 367 A N 0 0 184 -2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.642 360.0 360.0 -56.7 360.0 74.3 20.4 30.0