==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAY-04 1T8U . COMPND 2 MOLECULE: HEPARAN SULFATE D-GLUCOSAMINYL 3-O-SULFOTRANSFERA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.F.MOON,S.C.EDAVETTAL,J.M.KRAHN,E.M.MUNOZ,M.NEGISHI,R.J.LIN . 539 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 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 . 27 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 2 1 7 1 1 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 1 136 A P 0 0 98 0, 0.0 2,-0.2 0, 0.0 496,-0.1 0.000 360.0 360.0 360.0 162.8 42.6 63.3 27.1 2 137 A N > - 0 0 42 496,-0.2 4,-3.3 1,-0.1 5,-0.2 -0.527 360.0 -93.4-101.8 170.4 42.8 67.1 26.9 3 138 A S H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.934 121.8 41.3 -43.2 -72.1 45.0 69.7 28.6 4 139 A G H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 117.6 48.7 -47.1 -47.7 42.8 70.5 31.5 5 140 A T H > S+ 0 0 2 493,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.958 111.8 48.4 -59.4 -54.3 41.8 66.9 32.1 6 141 A L H >X S+ 0 0 89 -4,-3.3 4,-1.1 1,-0.2 3,-0.9 0.964 112.0 47.6 -49.3 -65.5 45.4 65.6 32.0 7 142 A A H >X S+ 0 0 44 -4,-2.2 4,-1.1 1,-0.2 3,-0.9 0.856 102.8 65.4 -44.7 -46.5 46.7 68.2 34.4 8 143 A L H >X>S+ 0 0 5 -4,-2.1 4,-3.0 -5,-0.3 3,-1.0 0.893 104.3 43.5 -45.4 -51.9 43.8 67.6 36.8 9 144 A L H <<5S+ 0 0 16 -4,-1.4 4,-0.3 -3,-0.9 -1,-0.3 0.738 109.8 58.2 -68.7 -23.1 45.0 64.0 37.5 10 145 A L H <<5S+ 0 0 70 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.619 118.2 30.8 -81.4 -13.2 48.6 65.2 37.8 11 146 A D H <<5S+ 0 0 127 -4,-1.1 -2,-0.2 -3,-1.0 -3,-0.2 0.755 136.9 18.7-112.6 -39.4 47.6 67.6 40.6 12 147 A E T <5S+ 0 0 60 -4,-3.0 2,-0.3 -5,-0.2 61,-0.3 0.507 104.8 92.9-110.6 -10.1 44.7 65.9 42.5 13 148 A G < + 0 0 9 -5,-0.7 2,-0.3 -4,-0.3 59,-0.2 -0.683 49.2 166.7 -89.1 139.6 45.2 62.4 41.3 14 149 A S E -A 71 0A 47 57,-1.7 57,-2.4 -2,-0.3 2,-0.4 -0.991 35.4-106.9-149.7 154.1 47.3 59.9 43.3 15 150 A K E -A 70 0A 51 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.671 33.2-172.1 -87.5 132.3 47.9 56.2 43.5 16 151 A Q - 0 0 71 53,-0.6 3,-0.1 -2,-0.4 52,-0.0 -0.856 29.9-108.9-119.2 155.0 46.5 54.2 46.4 17 152 A L - 0 0 30 -2,-0.3 60,-0.3 1,-0.1 48,-0.1 -0.568 60.7 -78.7 -76.4 149.0 47.0 50.6 47.4 18 153 A P - 0 0 3 0, 0.0 60,-0.2 0, 0.0 -1,-0.1 -0.243 37.4-167.9 -52.1 126.5 43.9 48.5 46.6 19 154 A Q S S+ 0 0 74 58,-1.4 83,-2.5 1,-0.2 2,-0.4 0.678 81.2 30.3 -86.7 -20.5 41.2 49.0 49.3 20 155 A A E -bc 78 102B 1 57,-1.3 59,-0.7 81,-0.2 2,-0.4 -1.000 69.9-169.6-140.7 140.6 39.4 46.0 47.8 21 156 A I E -bc 79 103B 0 81,-2.2 83,-2.6 -2,-0.4 2,-0.9 -0.990 23.1-140.1-133.9 136.9 40.6 42.9 46.0 22 157 A I E +bc 80 104B 0 57,-2.2 59,-2.0 -2,-0.4 83,-0.2 -0.872 29.2 176.9 -91.9 107.2 38.9 40.1 44.0 23 158 A I E - 0 0 0 81,-1.9 62,-3.2 -2,-0.9 2,-0.3 0.473 35.0-163.9 -94.5 -5.0 40.9 37.2 45.3 24 159 A G E - c 0 105B 0 80,-0.7 82,-3.2 1,-0.2 -1,-0.2 -0.967 45.7-103.4 171.2-176.3 39.2 34.2 43.6 25 160 A V > - 0 0 1 80,-0.3 3,-2.4 57,-0.3 4,-0.4 0.656 47.8-123.9-105.2 163.4 38.1 31.8 42.5 26 161 A K T 3 S+ 0 0 64 56,-0.5 91,-0.1 1,-0.3 -3,-0.0 -0.391 99.9 4.2 -60.4 129.1 39.7 30.7 39.3 27 162 A K T 3 S+ 0 0 24 -2,-0.1 -1,-0.3 89,-0.1 89,-0.1 0.543 97.6 116.9 71.4 11.1 37.0 30.3 36.6 28 163 A G S < S- 0 0 4 -3,-2.4 -2,-0.1 78,-0.1 81,-0.1 0.776 98.3 -87.3 -77.7 -24.9 34.4 31.7 39.0 29 164 A G S > S+ 0 0 25 -4,-0.4 4,-2.2 77,-0.1 5,-0.2 0.582 76.1 147.8 121.4 35.1 33.7 34.7 36.9 30 165 A T H > S+ 0 0 5 -5,-0.4 4,-2.1 2,-0.2 5,-0.2 0.859 71.8 50.5 -67.8 -36.9 36.3 37.1 38.1 31 166 A R H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.938 110.5 50.5 -67.2 -43.4 36.9 38.9 34.8 32 167 A A H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.949 111.0 47.8 -58.7 -51.7 33.2 39.5 34.4 33 168 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.920 113.6 47.3 -56.8 -46.5 32.8 41.0 37.8 34 169 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.930 112.0 48.9 -62.7 -46.5 35.7 43.3 37.5 35 170 A E H < S+ 0 0 33 -4,-2.8 184,-0.3 1,-0.2 4,-0.2 0.895 113.8 47.4 -60.7 -40.3 34.7 44.5 34.0 36 171 A F H >< S+ 0 0 5 -4,-2.5 3,-1.5 -5,-0.2 4,-0.3 0.922 111.1 50.8 -66.5 -43.4 31.2 45.2 35.3 37 172 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.849 97.2 68.9 -63.1 -34.6 32.4 47.0 38.4 38 173 A R T 3< S+ 0 0 40 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.601 83.6 73.3 -61.9 -11.3 34.7 49.2 36.3 39 174 A V T < S+ 0 0 26 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.830 76.9 96.2 -71.0 -30.8 31.5 50.9 34.9 40 175 A H S X S- 0 0 0 -3,-1.8 3,-1.4 -4,-0.3 157,-0.0 -0.325 77.7-135.4 -62.4 134.3 31.1 52.7 38.2 41 176 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.772 102.9 54.4 -63.2 -25.1 32.5 56.2 38.4 42 177 A D T 3 S+ 0 0 7 154,-0.1 34,-3.3 33,-0.1 2,-0.4 0.062 94.5 84.1 -98.1 24.9 34.1 55.6 41.8 43 178 A V E < +d 76 0B 0 -3,-1.4 2,-0.4 32,-0.2 34,-0.2 -0.992 45.9 173.5-130.6 130.6 36.0 52.4 40.8 44 179 A R E -d 77 0B 15 32,-2.5 34,-2.3 -2,-0.4 2,-0.3 -0.992 14.3-176.8-131.1 138.3 39.5 52.3 39.1 45 180 A A E -d 78 0B 4 -2,-0.4 34,-0.2 32,-0.2 2,-0.2 -0.981 33.7-104.1-141.4 152.2 41.2 48.9 38.6 46 181 A V - 0 0 10 32,-2.2 34,-0.2 -2,-0.3 22,-0.1 -0.538 32.0-141.1 -69.0 135.1 44.4 47.5 37.3 47 182 A G S S+ 0 0 38 -2,-0.2 -1,-0.1 32,-0.1 2,-0.1 0.945 78.8 48.4 -65.7 -50.0 43.7 46.0 33.9 48 183 A A S S- 0 0 69 1,-0.1 32,-0.4 -3,-0.0 3,-0.1 -0.351 100.2 -90.6 -88.2 170.4 45.9 42.9 34.2 49 184 A E - 0 0 69 1,-0.2 32,-0.2 30,-0.1 -1,-0.1 -0.733 35.3-157.6 -81.1 111.7 46.1 40.3 37.0 50 185 A P - 0 0 11 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.889 3.5-165.2 -58.0 -44.0 48.9 41.7 39.3 51 186 A H >> + 0 0 18 4,-0.1 5,-2.5 29,-0.1 4,-1.3 0.892 39.1 140.7 55.2 39.0 49.7 38.3 40.9 52 187 A F T 45 + 0 0 1 3,-0.2 7,-0.2 1,-0.2 8,-0.1 0.928 63.6 44.7 -78.0 -48.0 51.6 40.4 43.5 53 188 A F T 45S+ 0 0 0 1,-0.1 -1,-0.2 3,-0.1 40,-0.1 0.559 126.2 31.2 -76.4 -7.4 50.7 38.4 46.6 54 189 A D T 45S+ 0 0 35 35,-0.1 -2,-0.2 34,-0.0 -1,-0.1 0.758 136.1 8.8-115.2 -45.4 51.3 35.1 45.0 55 190 A R T <5S+ 0 0 175 -4,-1.3 3,-0.3 1,-0.1 -3,-0.2 0.828 129.4 36.2-107.2 -43.4 54.1 35.5 42.4 56 191 A S > < + 0 0 25 -5,-2.5 3,-1.7 1,-0.2 -4,-0.1 -0.046 68.3 121.3-107.4 32.5 55.7 38.9 42.6 57 192 A Y G > + 0 0 81 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.824 67.4 71.8 -62.3 -29.4 55.7 39.6 46.3 58 193 A D G 3 S+ 0 0 160 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.375 84.4 72.5 -67.8 6.7 59.5 40.0 46.1 59 194 A K G < S- 0 0 113 -3,-1.7 4,-0.5 -7,-0.2 -1,-0.3 0.510 100.9-122.0-100.7 -6.4 58.9 43.2 44.2 60 195 A G X> - 0 0 33 -3,-1.7 4,-1.3 1,-0.1 3,-0.6 0.253 22.3 -84.7 83.3 153.4 57.8 45.3 47.1 61 196 A L H 3> S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.719 124.5 61.8 -66.4 -22.7 54.7 47.3 48.0 62 197 A A H 3> S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.862 103.1 49.2 -72.4 -35.5 56.1 50.3 46.1 63 198 A W H <> S+ 0 0 85 -3,-0.6 4,-0.6 -4,-0.5 -2,-0.2 0.843 112.0 50.6 -69.5 -34.2 56.1 48.3 42.9 64 199 A Y H >X S+ 0 0 0 -4,-1.3 3,-0.8 2,-0.2 4,-0.7 0.935 108.8 49.5 -68.7 -48.3 52.5 47.3 43.6 65 200 A R H >< S+ 0 0 102 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.878 106.3 55.3 -60.3 -41.0 51.3 50.8 44.2 66 201 A D H 3< S+ 0 0 113 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.730 101.9 59.5 -66.0 -20.4 52.8 52.2 41.0 67 202 A L H << S+ 0 0 65 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.721 89.9 92.9 -77.6 -23.2 50.8 49.5 39.2 68 203 A M S << S- 0 0 0 -3,-1.1 2,-0.1 -4,-0.7 -23,-0.1 -0.389 83.8-113.3 -72.1 146.5 47.7 51.0 40.6 69 204 A P - 0 0 19 0, 0.0 -53,-0.6 0, 0.0 2,-0.2 -0.437 37.5 -95.9 -77.6 156.5 45.8 53.6 38.5 70 205 A R E -A 15 0A 109 -55,-0.2 2,-0.3 -2,-0.1 -55,-0.2 -0.491 47.2-163.5 -70.8 140.9 45.6 57.2 39.7 71 206 A T E -A 14 0A 5 -57,-2.4 -57,-1.7 -2,-0.2 2,-0.2 -0.948 17.1-132.8-132.0 151.7 42.4 58.0 41.6 72 207 A L > - 0 0 1 -2,-0.3 3,-2.5 -59,-0.2 -59,-0.1 -0.653 53.7 -74.9 -94.1 154.3 40.5 61.1 42.7 73 208 A D T 3 S+ 0 0 122 -61,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.241 123.1 31.3 -51.9 127.3 39.2 61.3 46.3 74 209 A G T 3 S+ 0 0 58 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.107 92.1 116.0 109.7 -20.2 36.2 59.0 46.7 75 210 A Q < - 0 0 13 -3,-2.5 -1,-0.4 -32,-0.1 2,-0.3 -0.648 58.8-136.9 -87.3 138.2 37.4 56.4 44.1 76 211 A I E - d 0 43B 24 -34,-3.3 -32,-2.5 -2,-0.3 2,-0.5 -0.705 12.3-140.3 -91.2 143.1 38.2 52.9 45.2 77 212 A T E + d 0 44B 0 -2,-0.3 -58,-1.4 -60,-0.3 -57,-1.3 -0.899 29.8 173.9-105.5 131.6 41.3 51.2 43.8 78 213 A M E +bd 20 45B 0 -34,-2.3 -32,-2.2 -2,-0.5 2,-0.3 -0.905 18.6 176.5-138.1 164.9 40.9 47.5 42.8 79 214 A E E -b 21 0B 0 -59,-0.7 -57,-2.2 -2,-0.3 2,-0.4 -0.955 17.4-141.7-157.0 161.5 42.7 44.5 41.2 80 215 A K E +b 22 0B 2 -32,-0.4 -57,-0.2 -2,-0.3 -29,-0.1 -0.997 21.3 165.9-138.8 132.9 41.9 40.9 40.7 81 216 A T > - 0 0 0 -59,-2.0 3,-1.4 -2,-0.4 4,-0.4 -0.887 20.6-158.3-143.5 104.5 44.1 37.8 40.9 82 217 A P T 3 S+ 0 0 11 0, 0.0 -56,-0.5 0, 0.0 3,-0.4 0.715 87.5 62.3 -56.7 -27.4 42.0 34.5 41.0 83 218 A S T > S+ 0 0 29 1,-0.2 3,-1.0 -58,-0.1 4,-0.3 0.644 79.1 83.4 -77.8 -17.0 44.9 32.5 42.5 84 219 A Y G X S+ 0 0 0 -3,-1.4 3,-2.4 1,-0.2 6,-0.2 0.922 82.1 63.6 -52.3 -47.5 45.1 34.6 45.7 85 220 A F G 3 S+ 0 0 4 -62,-3.2 -1,-0.2 -3,-0.4 -2,-0.1 0.804 111.4 35.1 -47.1 -39.3 42.3 32.5 47.3 86 221 A V G < S+ 0 0 54 -3,-1.0 2,-0.8 -4,-0.3 -1,-0.3 0.200 89.7 110.8-105.1 16.1 44.4 29.3 47.2 87 222 A T X - 0 0 24 -3,-2.4 3,-1.7 -4,-0.3 -3,-0.0 -0.824 61.5-147.6 -93.4 110.8 47.8 30.9 47.9 88 223 A R T 3 S+ 0 0 91 -2,-0.8 4,-0.4 1,-0.3 -1,-0.2 0.817 95.6 40.5 -44.9 -44.2 48.9 29.8 51.4 89 224 A E T 3> S+ 0 0 98 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.536 92.6 88.9 -87.2 -6.4 50.8 33.0 52.2 90 225 A A H <> S+ 0 0 0 -3,-1.7 4,-2.9 -6,-0.2 5,-0.3 0.919 82.5 53.3 -58.6 -49.5 48.2 35.4 50.6 91 226 A P H > S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.929 113.6 43.2 -52.2 -49.3 46.0 35.9 53.7 92 227 A A H > S+ 0 0 45 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.899 115.4 48.4 -64.8 -43.6 49.0 36.9 55.9 93 228 A R H X S+ 0 0 57 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.924 112.4 46.8 -65.6 -46.0 50.6 39.2 53.2 94 229 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.4 0.931 111.3 51.4 -63.6 -44.3 47.4 41.0 52.3 95 230 A S H < S+ 0 0 15 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.899 106.0 56.5 -58.4 -40.4 46.5 41.6 56.0 96 231 A A H < S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.849 105.5 50.5 -60.2 -36.2 50.0 43.0 56.5 97 232 A M H < S- 0 0 31 -4,-1.4 2,-0.3 -3,-0.4 -1,-0.2 0.958 141.4 -25.4 -65.5 -48.2 49.4 45.6 53.8 98 233 A S >< - 0 0 43 -4,-2.3 3,-1.2 -5,-0.1 -1,-0.3 -0.829 45.6-151.6-168.8 125.8 46.2 46.5 55.6 99 234 A K T 3 S+ 0 0 155 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 0.657 99.3 64.2 -72.6 -16.1 43.9 44.5 57.9 100 235 A D T 3 S+ 0 0 123 -5,-0.2 -1,-0.2 65,-0.1 2,-0.1 0.378 72.3 131.1 -88.9 4.0 41.0 46.6 56.6 101 236 A T < - 0 0 2 -3,-1.2 2,-0.3 -7,-0.2 -81,-0.2 -0.352 55.1-133.9 -61.2 130.5 41.3 45.3 53.1 102 237 A K E -c 20 0B 74 -83,-2.5 -81,-2.2 -2,-0.1 2,-0.4 -0.703 19.8-154.3 -86.9 139.1 37.9 44.1 51.7 103 238 A L E -ce 21 170B 0 66,-3.3 68,-2.7 -2,-0.3 2,-0.4 -0.956 9.0-167.8-120.6 132.8 38.0 40.8 50.0 104 239 A I E -ce 22 171B 0 -83,-2.6 -81,-1.9 -2,-0.4 -80,-0.7 -0.956 1.8-171.0-119.2 134.4 35.6 39.5 47.2 105 240 A V E -ce 24 172B 0 66,-3.3 68,-2.6 -2,-0.4 2,-0.8 -0.984 12.1-153.8-128.3 121.9 35.4 35.9 46.1 106 241 A V E - e 0 173B 0 -82,-3.2 2,-0.2 -2,-0.5 68,-0.2 -0.849 24.0-167.5 -94.5 108.8 33.4 34.9 43.1 107 242 A V E - e 0 174B 0 66,-2.2 68,-2.7 -2,-0.8 2,-0.3 -0.641 8.4-172.3 -99.2 157.6 32.4 31.3 43.7 108 243 A R - 0 0 51 -2,-0.2 5,-0.1 67,-0.2 -80,-0.1 -0.960 46.9 -68.9-143.9 155.4 30.9 28.8 41.2 109 244 A D > - 0 0 12 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.262 50.6-132.6 -45.2 120.4 29.5 25.3 41.4 110 245 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.798 102.9 52.7 -51.1 -32.9 32.7 23.4 42.2 111 246 A V H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.959 112.3 40.6 -71.2 -52.2 31.9 20.8 39.5 112 247 A T H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.820 114.8 54.9 -66.3 -28.1 31.3 23.2 36.7 113 248 A R H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.912 107.7 49.0 -69.0 -41.7 34.3 25.3 37.9 114 249 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.926 113.1 46.6 -61.7 -46.9 36.6 22.1 37.8 115 250 A I H X S+ 0 0 14 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.879 113.1 49.8 -64.0 -37.3 35.4 21.4 34.2 116 251 A S H X S+ 0 0 10 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.914 110.5 49.8 -66.3 -42.6 35.9 25.0 33.3 117 252 A D H X S+ 0 0 4 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.944 113.2 47.2 -59.8 -48.3 39.4 24.9 34.8 118 253 A Y H X S+ 0 0 14 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.916 109.1 53.9 -58.2 -46.9 40.0 21.7 32.8 119 254 A T H X S+ 0 0 8 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.840 106.3 52.4 -59.3 -35.8 38.7 23.2 29.6 120 255 A Q H X S+ 0 0 28 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.891 110.4 47.5 -68.7 -39.1 41.0 26.2 29.9 121 256 A T H >X S+ 0 0 59 -4,-1.7 4,-2.4 1,-0.2 3,-0.6 0.898 108.4 55.7 -68.1 -38.6 44.0 23.8 30.2 122 257 A L H 3< S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.877 102.6 55.6 -60.5 -38.4 42.7 21.8 27.2 123 258 A S H 3< S+ 0 0 66 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.805 114.8 40.4 -65.1 -27.3 42.7 25.0 25.1 124 259 A K H << S+ 0 0 151 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.751 132.3 21.9 -91.8 -27.9 46.4 25.4 26.0 125 260 A R >< - 0 0 158 -4,-2.4 3,-1.7 -5,-0.1 -1,-0.3 -0.716 64.8-175.3-144.1 87.0 47.4 21.7 25.7 126 261 A P T 3 S+ 0 0 93 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.582 78.5 67.5 -58.2 -14.6 45.0 19.8 23.5 127 262 A D T 3 + 0 0 137 -5,-0.0 -5,-0.1 0, 0.0 0, 0.0 0.409 69.7 118.7 -92.9 5.3 46.8 16.5 24.3 128 263 A I S < S- 0 0 39 -3,-1.7 3,-0.1 -6,-0.1 -3,-0.0 -0.302 72.7 -96.3 -67.6 154.4 45.9 16.2 28.0 129 264 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.017 54.4 -73.8 -61.7 175.4 43.8 13.2 29.0 130 265 A T > - 0 0 68 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.263 38.4-115.5 -69.0 159.0 40.0 13.3 29.4 131 266 A F H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.907 119.1 55.0 -61.1 -41.1 38.5 15.1 32.3 132 267 A E H > S+ 0 0 51 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.900 106.2 51.2 -59.5 -41.0 37.1 11.8 33.4 133 268 A S H 4 S+ 0 0 74 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.907 112.2 45.2 -63.8 -43.2 40.6 10.3 33.4 134 269 A L H < S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 102.9 65.6 -72.3 -28.2 42.1 13.0 35.5 135 270 A T H < S+ 0 0 0 -4,-2.0 8,-2.8 -5,-0.2 2,-0.5 0.847 95.8 64.0 -64.2 -35.0 39.3 13.1 38.0 136 271 A F B < -F 142 0C 38 -4,-1.0 6,-0.3 -3,-0.3 -1,-0.1 -0.821 49.8-174.5-104.5 126.0 40.0 9.6 39.3 137 272 A K 0 0 71 4,-2.7 5,-0.2 -2,-0.5 -1,-0.2 0.828 360.0 360.0 -75.2 -32.9 43.2 8.5 41.1 138 273 A N 0 0 134 3,-1.5 -1,-0.3 -3,-0.1 3,-0.1 -0.766 360.0 360.0-108.5 360.0 41.7 5.0 40.9 139 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 140 277 A G 0 0 51 0, 0.0 2,-0.5 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 2.0 36.7 4.9 42.2 141 278 A L - 0 0 125 -3,-0.1 -4,-2.7 1,-0.0 -3,-1.5 -0.804 360.0-124.9 -95.6 127.3 38.7 7.3 44.4 142 279 A I B -F 136 0C 30 -2,-0.5 2,-1.7 -6,-0.3 -6,-0.3 -0.474 19.6-123.9 -70.7 133.1 38.8 10.9 43.4 143 280 A D > + 0 0 48 -8,-2.8 3,-1.8 -2,-0.2 6,-0.3 -0.594 33.6 175.3 -81.0 86.3 42.2 12.4 42.9 144 281 A T T 3 S+ 0 0 62 -2,-1.7 -1,-0.2 1,-0.3 6,-0.2 0.578 71.7 73.1 -68.6 -9.8 42.0 15.3 45.4 145 282 A S T 3 S+ 0 0 99 -3,-0.1 2,-0.4 4,-0.1 -1,-0.3 0.614 74.4 102.3 -78.7 -10.6 45.6 16.2 44.7 146 283 A W S X> S- 0 0 41 -3,-1.8 4,-2.6 1,-0.2 3,-1.3 -0.613 74.7-139.9 -74.9 123.9 44.5 17.5 41.3 147 284 A S H 3> S+ 0 0 67 -2,-0.4 4,-2.9 1,-0.3 5,-0.3 0.872 100.2 62.6 -51.9 -41.5 44.3 21.3 41.5 148 285 A A H 34 S+ 0 0 2 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.851 113.1 36.5 -54.4 -35.3 41.1 21.4 39.5 149 286 A I H X4 S+ 0 0 0 -3,-1.3 3,-0.7 -6,-0.3 4,-0.3 0.906 115.3 53.9 -82.6 -45.4 39.4 19.5 42.3 150 287 A Q H >< S+ 0 0 43 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.856 100.6 58.5 -58.4 -42.7 41.3 21.1 45.2 151 288 A I T 3< S+ 0 0 19 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.1 0.844 98.9 62.9 -59.2 -31.5 40.4 24.7 44.2 152 289 A G T < S+ 0 0 0 -3,-0.7 2,-2.1 -4,-0.4 -1,-0.3 0.601 75.4 90.1 -70.8 -12.9 36.7 23.8 44.5 153 290 A I X> + 0 0 7 -3,-1.6 4,-1.3 -4,-0.3 3,-0.6 -0.492 53.9 168.4 -84.4 70.3 36.9 22.9 48.3 154 291 A Y H 3> + 0 0 3 -2,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.851 66.7 59.9 -51.4 -45.8 36.0 26.5 49.2 155 292 A A H 3> S+ 0 0 1 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.900 103.4 53.6 -52.7 -43.1 35.4 25.8 52.9 156 293 A K H <> S+ 0 0 92 -3,-0.6 4,-0.9 1,-0.2 -1,-0.2 0.919 113.3 40.7 -59.2 -47.5 39.0 24.6 53.3 157 294 A H H >X S+ 0 0 18 -4,-1.3 4,-1.7 1,-0.2 3,-0.5 0.890 110.4 59.0 -70.6 -38.4 40.5 27.7 51.8 158 295 A L H 3X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.881 97.7 59.8 -59.0 -40.0 38.0 30.0 53.6 159 296 A E H 3< S+ 0 0 81 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.883 104.6 50.9 -56.9 -37.7 39.2 28.7 57.0 160 297 A H H X< S+ 0 0 77 -4,-0.9 3,-1.4 -3,-0.5 -1,-0.2 0.942 110.9 47.3 -65.3 -46.4 42.7 29.9 56.2 161 298 A W H >X S+ 0 0 2 -4,-1.7 3,-2.3 1,-0.3 4,-1.5 0.881 103.2 62.3 -62.8 -38.2 41.5 33.4 55.3 162 299 A L T 3< S+ 0 0 65 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.554 91.9 67.5 -66.1 -5.5 39.3 33.6 58.4 163 300 A R T <4 S+ 0 0 165 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.518 115.9 25.5 -88.7 -7.1 42.5 33.3 60.5 164 301 A H T <4 S+ 0 0 82 -3,-2.3 -2,-0.2 1,-0.3 -1,-0.1 0.447 124.6 42.6-131.4 -9.4 43.5 36.7 59.2 165 302 A F S < S- 0 0 8 -4,-1.5 -1,-0.3 -65,-0.0 2,-0.2 -0.993 75.7-115.2-144.4 149.1 40.2 38.4 58.3 166 303 A P > - 0 0 43 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.574 32.5-120.2 -78.9 143.8 36.7 38.9 59.8 167 304 A I G > S+ 0 0 75 1,-0.3 3,-1.9 -2,-0.2 -5,-0.0 0.829 111.0 67.7 -55.5 -30.1 34.0 37.2 57.7 168 305 A R G 3 S+ 0 0 188 1,-0.3 -1,-0.3 3,-0.0 -66,-0.0 0.692 93.5 57.0 -65.3 -18.2 32.4 40.7 57.4 169 306 A Q G < S+ 0 0 27 -3,-2.2 -66,-3.3 -67,-0.1 2,-0.4 0.257 98.1 78.7 -94.7 12.2 35.3 41.9 55.3 170 307 A M E < -e 103 0B 11 -3,-1.9 2,-0.5 -68,-0.2 -66,-0.2 -0.976 60.6-165.0-124.4 133.6 34.7 39.1 52.8 171 308 A L E -e 104 0B 20 -68,-2.7 -66,-3.3 -2,-0.4 2,-0.7 -0.972 7.3-154.7-119.6 127.7 32.0 39.0 50.1 172 309 A F E -e 105 0B 10 -2,-0.5 2,-0.4 -68,-0.2 -66,-0.2 -0.897 14.0-159.0-107.1 110.0 31.0 35.8 48.3 173 310 A V E -e 106 0B 0 -68,-2.6 -66,-2.2 -2,-0.7 2,-0.7 -0.708 19.6-120.9 -90.9 134.1 29.5 36.5 44.9 174 311 A S E > -e 107 0B 8 -2,-0.4 4,-1.8 1,-0.2 -66,-0.2 -0.640 17.7-162.9 -76.0 112.3 27.3 34.0 43.1 175 312 A G H > S+ 0 0 5 -68,-2.7 4,-0.7 -2,-0.7 -1,-0.2 0.851 91.0 51.7 -63.5 -33.3 29.0 33.1 39.8 176 313 A E H >> S+ 0 0 62 -69,-0.3 4,-2.3 1,-0.2 3,-0.6 0.912 111.5 44.4 -70.3 -43.0 25.8 31.7 38.6 177 314 A R H 3> S+ 0 0 119 1,-0.2 4,-3.6 2,-0.2 8,-0.3 0.768 102.0 67.2 -72.9 -24.3 23.7 34.7 39.4 178 315 A L H 3< S+ 0 0 5 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.839 110.8 37.8 -61.8 -29.9 26.4 36.9 38.0 179 316 A I H << S+ 0 0 77 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.896 124.1 37.6 -85.5 -47.0 25.3 35.3 34.7 180 317 A S H < S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.795 137.3 13.1 -78.2 -29.5 21.6 35.1 35.3 181 318 A D X + 0 0 66 -4,-3.6 4,-1.8 -5,-0.2 3,-0.5 -0.450 65.6 169.0-147.6 67.7 21.1 38.4 37.1 182 319 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.877 81.3 51.1 -47.5 -49.2 24.2 40.7 36.8 183 320 A A H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.870 107.4 56.1 -59.2 -37.6 22.6 43.8 38.2 184 321 A G H >> S+ 0 0 28 -3,-0.5 4,-1.4 2,-0.2 3,-0.6 0.977 112.4 38.7 -58.0 -58.8 21.4 41.8 41.2 185 322 A E H 3X S+ 0 0 6 -4,-1.8 4,-2.2 -8,-0.3 -2,-0.2 0.872 113.3 56.0 -60.9 -39.6 24.9 40.6 42.2 186 323 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.796 101.7 59.3 -64.6 -26.8 26.5 43.9 41.4 187 324 A G H S+ 0 0 0 -4,-2.6 5,-3.3 2,-0.2 4,-0.5 0.888 112.5 48.1 -63.4 -39.0 28.3 47.9 45.4 191 328 A D H ><5S+ 0 0 84 -4,-2.1 3,-1.6 3,-0.2 -2,-0.2 0.959 110.7 51.3 -64.9 -48.7 26.8 47.9 48.9 192 329 A F H 3<5S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.856 112.8 46.0 -54.7 -38.3 29.6 45.8 50.3 193 330 A L T 3<5S- 0 0 9 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.491 115.6-114.9 -85.5 -3.5 32.1 48.2 48.8 194 331 A G T < 5 + 0 0 68 -3,-1.6 2,-0.4 -4,-0.5 -3,-0.2 0.794 68.1 143.1 75.0 27.9 30.3 51.3 50.1 195 332 A L < - 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0 0 74 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.226 32.2-132.3 -49.5 131.7 30.0 98.5 31.1 512 377 B R H > S+ 0 0 227 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 104.8 52.7 -57.1 -41.5 27.5 98.4 33.9 513 378 B E H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 109.4 49.4 -63.6 -39.9 25.1 100.8 32.1 514 379 B V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 110.4 49.8 -65.7 -42.7 25.1 98.6 29.0 515 380 B V H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.921 110.8 51.1 -61.8 -41.4 24.4 95.5 31.0 516 381 B R H X S+ 0 0 112 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.898 110.0 48.5 -63.1 -41.7 21.5 97.2 32.8 517 382 B R H X S+ 0 0 54 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.859 111.7 50.0 -67.2 -34.8 20.0 98.3 29.4 518 383 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.901 110.2 48.8 -70.2 -40.4 20.3 94.8 28.0 519 384 B R H X S+ 0 0 89 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.873 110.8 52.5 -65.8 -33.9 18.7 93.3 31.1 520 385 B E H < S+ 0 0 121 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.888 108.9 50.4 -67.1 -39.0 15.9 95.9 30.7 521 386 B F H < S+ 0 0 44 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.919 114.7 41.6 -65.8 -44.2 15.5 94.8 27.1 522 387 B Y H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 3,-0.5 0.796 90.9 87.6 -76.2 -29.4 15.2 91.1 27.8 523 388 B R H X S+ 0 0 127 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.849 90.4 44.2 -38.0 -60.2 13.0 91.3 30.9 524 389 B P H > S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.900 116.6 46.5 -57.2 -42.0 9.6 91.3 29.1 525 390 B F H > S+ 0 0 48 -3,-0.5 4,-2.1 -4,-0.5 -2,-0.2 0.879 111.0 52.7 -67.8 -37.5 10.6 88.5 26.7 526 391 B N H X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.937 107.5 52.4 -61.7 -45.3 12.0 86.5 29.6 527 392 B L H X S+ 0 0 75 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.878 109.4 48.3 -58.5 -40.4 8.7 86.9 31.5 528 393 B K H X S+ 0 0 132 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.883 110.8 52.1 -67.5 -37.1 6.8 85.6 28.4 529 394 B F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 6,-0.3 0.880 106.1 53.4 -66.2 -39.1 9.2 82.7 28.2 530 395 B Y H X>S+ 0 0 16 -4,-2.5 5,-1.6 1,-0.2 4,-1.3 0.920 113.3 43.6 -62.4 -42.3 8.7 81.8 31.8 531 396 B Q H <5S+ 0 0 170 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.913 112.6 51.6 -68.8 -43.2 4.9 81.7 31.2 532 397 B M H <5S+ 0 0 50 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 120.3 34.9 -62.3 -34.8 5.3 79.7 28.0 533 398 B T H <5S- 0 0 30 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.561 104.7-125.0 -96.8 -11.3 7.5 77.1 29.6 534 399 B G T <5S+ 0 0 68 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.2 0.772 77.7 98.2 72.8 25.4 5.8 77.1 33.0 535 400 B H < - 0 0 94 -5,-1.6 2,-0.8 -6,-0.3 -2,-0.2 -0.976 67.1-138.9-150.9 134.1 9.1 77.8 34.7 536 401 B D - 0 0 86 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.810 13.6-166.9 -90.9 109.4 10.9 80.9 36.1 537 402 B F - 0 0 17 -2,-0.8 -1,-0.1 -11,-0.2 -89,-0.1 0.454 37.1-123.0 -77.3 1.1 14.5 80.5 35.1 538 403 B G S > S+ 0 0 41 1,-0.1 3,-0.7 2,-0.1 -2,-0.1 0.691 70.9 130.4 68.4 24.3 15.4 83.2 37.6 539 404 B W T 3 S+ 0 0 17 1,-0.2 -1,-0.1 -16,-0.1 -158,-0.1 0.609 78.6 44.0 -82.5 -9.4 17.2 85.7 35.2 540 405 B D T 3 0 0 40 -17,-0.1 -1,-0.2 -14,-0.1 -2,-0.1 -0.003 360.0 360.0-123.0 29.4 15.1 88.5 36.5 541 406 B G < 0 0 115 -3,-0.7 -2,-0.0 0, 0.0 0, 0.0 -0.340 360.0 360.0 105.0 360.0 15.2 88.0 40.3