==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-SEP-11 3TV2 . COMPND 2 MOLECULE: FUMARATE HYDRATASE, CLASS II; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 48.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 1 2 0 0 1 0 0 1 1 1 0 0 2 1 2 0 0 0 1 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 1 145 A R 0 0 71 0, 0.0 11,-3.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.6 18.7 73.5 -7.5 2 146 A M E -A 11 0A 83 9,-0.2 118,-0.7 7,-0.1 2,-0.3 -0.862 360.0-175.2 -96.8 125.2 16.3 75.4 -5.3 3 147 A E E -A 10 0A 1 7,-2.6 7,-2.3 -2,-0.5 2,-0.4 -0.746 14.0-140.6-110.0 166.3 14.8 73.5 -2.3 4 148 A R E +A 9 0A 149 -2,-0.3 16,-0.3 5,-0.2 2,-0.2 -0.969 23.5 166.8-136.9 142.2 12.2 74.9 0.0 5 149 A D E > -A 8 0A 25 3,-3.1 3,-2.3 -2,-0.4 -2,-0.0 -0.826 59.0 -77.4-135.7-175.6 11.2 75.0 3.7 6 150 A T T 3 S+ 0 0 146 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.653 129.7 54.7 -64.1 -16.5 8.8 77.1 5.8 7 151 A F T 3 S- 0 0 179 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.590 121.4-100.6 -83.8 -13.8 11.3 80.0 5.8 8 152 A G E < -A 5 0A 16 -3,-2.3 -3,-3.1 2,-0.0 -1,-0.3 -0.951 56.4 -28.7 132.6-154.2 11.5 80.0 2.0 9 153 A E E +A 4 0A 111 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.732 45.2 179.5-110.7 158.4 13.8 78.7 -0.7 10 154 A I E -A 3 0A 21 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.2 -0.991 32.6-103.7-155.5 143.5 17.6 78.1 -0.8 11 155 A A E -A 2 0A 61 -2,-0.3 -9,-0.2 -9,-0.2 8,-0.0 -0.547 32.5-173.3 -75.9 135.4 20.1 76.8 -3.3 12 156 A V - 0 0 3 -11,-3.5 8,-0.1 -2,-0.2 -2,-0.0 -0.998 35.7-101.5-125.9 134.0 21.4 73.2 -2.8 13 157 A P > - 0 0 69 0, 0.0 3,-1.7 0, 0.0 -11,-0.0 -0.279 25.8-130.8 -54.7 136.0 24.2 71.9 -5.0 14 158 A A T 3 S+ 0 0 72 1,-0.3 104,-0.1 3,-0.0 -3,-0.0 0.829 106.3 60.5 -55.7 -35.2 22.8 69.6 -7.7 15 159 A A T 3 S+ 0 0 64 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.644 93.8 81.0 -69.9 -15.7 25.3 67.0 -6.8 16 160 A R < - 0 0 69 -3,-1.7 68,-0.1 1,-0.1 -4,-0.1 -0.639 64.0-152.6-100.2 153.1 24.0 66.7 -3.2 17 161 A L + 0 0 4 -2,-0.2 91,-0.3 64,-0.1 92,-0.2 0.490 64.6 95.6-101.4 -7.1 20.9 64.7 -2.0 18 162 A W - 0 0 16 1,-0.1 2,-0.1 90,-0.1 83,-0.1 -0.189 61.5-139.0 -79.3 177.5 20.0 66.7 1.1 19 163 A G > - 0 0 0 81,-0.1 4,-2.6 82,-0.1 5,-0.2 -0.331 35.4 -56.2-125.8-155.3 17.4 69.5 1.1 20 164 A A H > S+ 0 0 1 -16,-0.3 4,-2.9 1,-0.2 5,-0.2 0.893 124.2 45.4 -60.1 -50.2 16.4 72.9 2.3 21 165 A Q H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 114.3 47.4 -68.2 -41.3 16.7 72.4 6.0 22 166 A T H 4 S+ 0 0 1 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.937 116.1 46.0 -63.2 -44.8 20.1 70.6 5.9 23 167 A Q H >< S+ 0 0 25 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.896 112.6 50.1 -65.3 -41.3 21.4 73.3 3.5 24 168 A R H >< S+ 0 0 56 -4,-2.9 3,-1.0 1,-0.2 4,-0.5 0.921 114.7 43.1 -62.1 -43.5 20.1 76.1 5.6 25 169 A S T 3X S+ 0 0 9 -4,-2.2 4,-0.6 1,-0.3 -1,-0.2 0.307 93.7 77.9 -93.2 5.5 21.6 74.8 8.8 26 170 A L T <4 S+ 0 0 60 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.423 102.4 44.2 -85.0 -4.7 24.9 73.9 7.2 27 171 A Q T X4 S+ 0 0 117 -3,-1.0 3,-0.5 -4,-0.2 -2,-0.2 0.622 106.2 58.2-108.4 -22.9 25.4 77.6 7.6 28 172 A N T 34 S+ 0 0 114 -4,-0.5 -2,-0.1 1,-0.2 -3,-0.1 0.688 110.6 41.8 -80.4 -17.6 24.1 78.1 11.2 29 173 A F T 3< + 0 0 68 -4,-0.6 2,-3.1 2,-0.0 59,-0.3 -0.311 53.4 152.2-133.9 53.9 26.5 75.6 12.7 30 174 A K < + 0 0 93 -3,-0.5 2,-0.7 57,-0.1 3,-0.1 -0.468 30.8 152.1 -71.7 67.9 30.0 75.9 11.4 31 175 A I - 0 0 82 -2,-3.1 59,-0.3 59,-0.1 3,-0.2 -0.910 60.2 -59.7-107.2 112.0 31.2 74.6 14.7 32 176 A S S S- 0 0 80 -2,-0.7 56,-0.0 1,-0.2 -1,-0.0 -0.095 73.6 -76.7 56.7-149.1 34.6 72.7 14.5 33 177 A T S S+ 0 0 118 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.461 83.2 118.5-131.6 -6.0 34.8 69.6 12.3 34 178 A E - 0 0 62 -3,-0.2 55,-2.1 54,-0.0 56,-0.5 -0.565 38.9-177.1 -73.1 129.2 33.2 66.7 14.1 35 179 A K B -B 88 0B 120 -2,-0.3 53,-0.2 53,-0.3 -2,-0.1 -0.663 40.8 -71.9-115.8 167.8 30.2 65.3 12.2 36 180 A Q - 0 0 19 51,-1.2 -1,-0.1 -2,-0.2 49,-0.1 -0.374 60.0-108.4 -60.5 145.8 27.8 62.6 13.1 37 181 A S > - 0 0 13 1,-0.1 4,-2.5 -3,-0.1 3,-0.2 -0.381 16.8-119.5 -74.7 153.1 29.4 59.1 12.9 38 182 A P H > S+ 0 0 79 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.903 115.4 59.2 -55.5 -41.1 28.6 56.7 10.1 39 183 A E H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.885 109.3 42.9 -51.8 -47.0 27.5 54.2 12.8 40 184 A L H > S+ 0 0 1 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.926 113.5 50.2 -69.6 -44.1 24.9 56.8 14.0 41 185 A I H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.916 111.8 50.2 -59.4 -43.2 23.8 57.8 10.5 42 186 A H H X S+ 0 0 59 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.869 108.8 50.7 -62.2 -39.6 23.4 54.0 9.7 43 187 A A H X S+ 0 0 5 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.892 110.4 49.9 -67.2 -39.1 21.3 53.5 12.8 44 188 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.933 110.9 49.3 -62.9 -43.8 19.1 56.4 11.8 45 189 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.867 106.8 56.4 -63.8 -37.3 18.7 54.9 8.3 46 190 A L H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.890 105.7 50.6 -61.0 -42.7 17.8 51.6 9.8 47 191 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.923 110.7 48.9 -60.3 -43.2 14.9 53.2 11.8 48 192 A K H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.901 111.9 49.7 -64.1 -39.0 13.7 54.8 8.5 49 193 A R H X S+ 0 0 44 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.922 113.9 45.0 -61.3 -46.8 13.9 51.4 6.8 50 194 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.876 111.1 52.4 -66.5 -44.0 12.0 49.8 9.7 51 195 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.895 109.6 50.2 -58.9 -43.3 9.3 52.5 9.8 52 196 A A H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.919 112.7 46.2 -62.9 -44.4 8.7 52.2 6.0 53 197 A A H X S+ 0 0 27 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.919 116.7 43.9 -64.5 -46.3 8.3 48.4 6.3 54 198 A V H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.913 113.2 50.8 -65.4 -42.9 6.0 48.7 9.4 55 199 A N H <>S+ 0 0 4 -4,-2.9 5,-1.8 2,-0.2 6,-1.2 0.840 111.5 49.8 -67.7 -34.4 4.0 51.5 7.8 56 200 A L H ><5S+ 0 0 61 -4,-2.3 3,-1.7 -5,-0.2 -2,-0.2 0.959 110.7 48.8 -61.4 -53.7 3.6 49.4 4.7 57 201 A E H 3<5S+ 0 0 162 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.853 109.8 52.1 -58.0 -37.4 2.5 46.4 6.7 58 202 A L T 3<5S- 0 0 43 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.555 113.1-120.7 -74.3 -10.1 -0.0 48.6 8.6 59 203 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.544 84.8 109.3 85.0 8.6 -1.5 49.9 5.3 60 204 A V S - 0 0 55 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.320 24.7-124.7 -65.8 145.6 1.9 53.1 -0.4 63 207 A Q H > S+ 0 0 128 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.846 107.3 55.0 -60.1 -41.1 4.1 50.2 -1.5 64 208 A D H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 113.0 41.8 -62.8 -43.7 6.0 52.1 -4.1 65 209 A K H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.927 114.5 52.1 -65.1 -46.7 7.1 54.7 -1.6 66 210 A A H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.929 111.6 45.8 -55.8 -50.6 7.8 52.1 1.1 67 211 A N H X S+ 0 0 84 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.873 113.6 48.8 -61.6 -42.6 10.0 50.1 -1.3 68 212 A A H X S+ 0 0 6 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.890 112.4 49.0 -66.5 -38.2 11.9 53.2 -2.6 69 213 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.939 111.6 48.8 -66.1 -46.6 12.5 54.4 1.0 70 214 A V H X S+ 0 0 25 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.931 112.6 48.6 -56.5 -46.8 13.8 50.9 2.1 71 215 A A H X S+ 0 0 40 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.898 112.3 48.0 -65.0 -40.5 16.1 50.8 -1.0 72 216 A A H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.913 110.9 50.8 -63.9 -44.9 17.4 54.3 -0.3 73 217 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.892 108.0 53.9 -59.3 -42.3 18.0 53.5 3.4 74 218 A D H X S+ 0 0 60 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.865 105.1 53.3 -62.0 -37.4 19.9 50.3 2.3 75 219 A E H <>S+ 0 0 20 -4,-1.6 5,-2.4 2,-0.2 6,-0.3 0.893 109.6 48.4 -64.1 -42.0 22.2 52.4 0.1 76 220 A I H ><5S+ 0 0 4 -4,-1.8 3,-1.7 1,-0.2 5,-0.4 0.942 112.0 49.2 -60.4 -47.3 23.0 54.6 3.1 77 221 A I H 3<5S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.833 105.4 57.8 -62.1 -35.2 23.7 51.6 5.2 78 222 A A T 3<5S- 0 0 75 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.428 120.7-109.2 -76.1 0.4 25.9 50.1 2.5 79 223 A G T X 5S+ 0 0 43 -3,-1.7 3,-0.6 -4,-0.1 -3,-0.2 0.614 80.3 129.1 85.5 15.1 28.1 53.2 2.7 80 224 A R T 3 < + 0 0 159 -5,-2.4 -4,-0.2 1,-0.2 3,-0.1 0.408 69.1 47.6 -86.0 3.7 27.1 54.7 -0.7 81 225 A H T > + 0 0 23 -5,-0.4 3,-2.2 -6,-0.3 -1,-0.2 -0.109 61.7 142.2-137.1 41.2 26.2 58.2 0.5 82 226 A A T < S+ 0 0 82 -3,-0.6 3,-0.5 1,-0.3 -1,-0.1 0.739 73.8 50.4 -55.3 -31.4 29.1 59.1 2.7 83 227 A D T 3 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.335 90.1 79.5 -93.4 7.4 29.1 62.7 1.5 84 228 A E S < S+ 0 0 9 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.277 80.2 69.0 -99.1 10.2 25.3 63.4 2.1 85 229 A F + 0 0 23 -3,-0.5 -1,-0.2 -4,-0.1 -49,-0.1 -0.685 52.5 153.4-131.7 78.6 25.6 64.0 5.9 86 230 A P + 0 0 16 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.342 30.6 117.4 -94.1 1.1 27.4 67.3 6.4 87 231 A L - 0 0 7 1,-0.1 -51,-1.2 10,-0.1 -61,-0.1 -0.448 60.1-116.2 -83.3 150.7 26.1 68.5 9.7 88 232 A A B -B 35 0B 14 -59,-0.3 -53,-0.3 -53,-0.2 -1,-0.1 -0.321 13.7-127.1 -74.6 155.8 28.1 69.0 12.9 89 233 A V S S+ 0 0 2 -55,-2.1 2,-2.1 1,-0.2 271,-0.2 0.837 103.3 76.5 -62.0 -38.0 27.7 67.1 16.2 90 234 A W S S+ 0 0 81 -56,-0.5 -1,-0.2 -59,-0.3 -2,-0.2 -0.530 79.4 100.3 -83.9 76.4 27.4 70.6 17.7 91 235 A Q S S- 0 0 20 -2,-2.1 -2,-0.1 1,-0.3 5,-0.0 -0.463 80.0 -15.6-134.4-160.1 23.8 71.2 16.6 92 236 A T > - 0 0 45 -2,-0.2 3,-1.9 1,-0.2 -1,-0.3 -0.313 64.5-129.2 -43.9 131.1 20.2 71.0 18.0 93 237 A G T 3 S+ 0 0 22 1,-0.3 265,-1.9 2,-0.1 -1,-0.2 0.581 106.4 56.0 -68.3 -13.7 20.5 69.0 21.2 94 238 A S T 3 S- 0 0 17 262,-0.2 -1,-0.3 263,-0.1 46,-0.2 0.441 111.4-118.9 -88.7 -9.8 17.7 66.6 20.1 95 239 A G <> + 0 0 0 -3,-1.9 4,-2.5 -6,-0.1 3,-0.2 0.627 68.4 141.0 74.0 13.6 19.5 65.7 16.9 96 240 A T H > + 0 0 29 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.898 66.0 55.6 -52.3 -46.2 16.5 67.2 14.9 97 241 A Q H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.924 111.3 44.9 -59.3 -40.6 18.7 68.7 12.2 98 242 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 109.3 54.6 -71.0 -39.1 20.3 65.3 11.6 99 243 A N H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.959 110.9 47.3 -54.0 -46.6 16.9 63.5 11.6 100 244 A M H X S+ 0 0 50 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.866 106.4 58.3 -61.7 -38.2 15.8 66.0 8.9 101 245 A N H X S+ 0 0 1 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.937 109.2 44.3 -59.1 -45.3 19.1 65.3 7.1 102 246 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.945 113.7 50.6 -63.2 -46.4 18.1 61.6 6.9 103 247 A N H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.918 114.1 43.6 -59.8 -45.0 14.5 62.4 5.9 104 248 A E H X S+ 0 0 5 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.919 115.2 46.8 -69.8 -45.1 15.6 64.8 3.0 105 249 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.925 115.9 45.1 -64.3 -44.6 18.4 62.5 1.7 106 250 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.905 113.3 51.1 -66.8 -40.7 16.1 59.5 1.7 107 251 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 17,-0.4 0.951 112.8 45.4 -60.7 -50.0 13.2 61.4 0.2 108 252 A N H X S+ 0 0 0 -4,-2.8 4,-1.7 -91,-0.3 -2,-0.2 0.913 117.9 42.9 -61.6 -41.6 15.3 62.8 -2.7 109 253 A R H X S+ 0 0 47 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.896 112.9 50.9 -73.3 -43.3 16.9 59.4 -3.4 110 254 A A H X S+ 0 0 0 -4,-3.0 4,-1.3 2,-0.2 6,-0.2 0.892 107.1 56.6 -57.1 -40.7 13.7 57.4 -3.1 111 255 A S H ><>S+ 0 0 0 -4,-2.3 5,-2.7 -5,-0.3 3,-0.6 0.928 107.4 47.8 -58.4 -45.3 12.2 59.9 -5.5 112 256 A E H ><5S+ 0 0 57 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.883 108.0 55.3 -59.4 -42.6 15.0 59.1 -8.1 113 257 A L H 3<5S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.734 104.6 53.9 -65.2 -23.4 14.3 55.4 -7.5 114 258 A L T <<5S- 0 0 65 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.299 128.6 -96.6 -87.8 4.5 10.7 56.0 -8.4 115 259 A G T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.488 91.1 114.0 91.5 6.0 11.7 57.6 -11.8 116 260 A G < - 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0 0 27 -3,-0.6 2,-0.4 5,-0.1 5,-0.2 -0.368 41.1-151.1 -65.2 149.0 18.3 66.4 31.0 351 495 A N B > -F 354 0F 100 3,-1.2 3,-1.7 -2,-0.0 -2,-0.1 -0.986 47.4 -53.7-128.6 124.3 15.3 68.8 31.7 352 496 A F T 3 S+ 0 0 171 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.262 121.8 0.8 54.2-119.6 11.7 67.6 32.0 353 497 A E T 3 S+ 0 0 106 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.609 127.7 37.2 -83.2 -12.9 10.6 65.6 29.0 354 498 A L B < -F 351 0F 29 -3,-1.7 -3,-1.2 -89,-0.2 2,-0.6 -0.982 60.6-142.5-145.7 130.7 13.8 65.5 26.9 355 499 A N - 0 0 0 -91,-2.3 3,-0.2 -2,-0.4 -5,-0.1 -0.831 20.0-172.7 -84.3 122.5 17.5 65.3 27.3 356 500 A V + 0 0 64 -2,-0.6 -262,-0.2 -7,-0.3 -263,-0.1 -0.334 64.6 85.9-116.9 46.1 19.0 67.6 24.7 357 501 A F > + 0 0 83 -11,-0.1 4,-2.0 -263,-0.1 3,-0.2 -0.012 60.0 121.0-117.3 24.2 22.7 66.8 25.0 358 502 A R H > + 0 0 1 -265,-1.9 4,-2.7 -3,-0.2 5,-0.3 0.835 59.9 51.4 -71.7 -45.3 22.3 63.9 22.7 359 503 A P H > S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.918 114.8 47.3 -57.7 -39.9 24.6 64.3 19.7 360 504 A M H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.933 111.5 49.8 -64.4 -46.1 27.5 64.9 22.1 361 505 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.945 114.4 45.2 -57.5 -47.5 26.6 61.9 24.2 362 506 A A H X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.893 108.9 55.8 -64.5 -44.2 26.4 59.7 21.1 363 507 A H H X S+ 0 0 33 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.931 113.1 42.0 -53.2 -47.5 29.6 61.1 19.6 364 508 A N H X S+ 0 0 12 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.922 114.3 48.4 -68.3 -48.5 31.5 60.1 22.8 365 509 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.952 115.6 44.5 -60.1 -46.9 30.0 56.6 23.3 366 510 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.874 113.0 51.1 -70.5 -35.1 30.5 55.6 19.7 367 511 A Q H X S+ 0 0 41 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.959 109.4 50.8 -62.6 -48.5 34.0 57.0 19.6 368 512 A S H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.897 109.7 50.4 -57.3 -41.5 34.9 55.1 22.8 369 513 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.932 112.9 46.2 -61.9 -44.6 33.5 51.8 21.3 370 514 A R H X S+ 0 0 71 -4,-2.2 4,-2.7 1,-0.2 5,-0.4 0.888 112.9 49.7 -65.9 -44.7 35.6 52.3 18.1 371 515 A L H X S+ 0 0 47 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.941 114.4 42.9 -61.0 -48.7 38.7 53.2 20.0 372 516 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.894 118.0 46.1 -66.2 -39.0 38.6 50.2 22.3 373 517 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.960 119.0 38.1 -69.5 -54.6 37.6 47.7 19.6 374 518 A D H X S+ 0 0 93 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.863 117.4 54.0 -64.6 -35.6 40.2 48.8 17.0 375 519 A G H X S+ 0 0 9 -4,-2.1 4,-2.9 -5,-0.4 -2,-0.2 0.940 110.3 44.3 -63.0 -49.6 42.7 49.3 19.8 376 520 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.899 115.9 48.9 -59.3 -43.3 42.2 45.7 21.1 377 521 A Q H X S+ 0 0 64 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.923 114.2 43.9 -65.2 -48.2 42.3 44.3 17.6 378 522 A G H X S+ 0 0 15 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.914 113.0 51.4 -62.7 -44.3 45.5 46.2 16.6 379 523 A F H X>S+ 0 0 7 -4,-2.9 5,-2.6 -5,-0.2 4,-1.3 0.929 113.4 47.3 -60.3 -43.3 47.2 45.4 19.9 380 524 A N H <>S+ 0 0 6 -4,-2.5 5,-2.4 3,-0.2 3,-0.3 0.970 118.2 38.6 -55.1 -57.9 46.3 41.8 19.2 381 525 A D H <5S+ 0 0 72 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.792 126.4 32.1 -68.8 -36.3 47.5 41.7 15.6 382 526 A H H <5S+ 0 0 98 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.415 135.8 8.5-110.5 -0.7 50.6 43.8 15.9 383 527 A C T ><5S+ 0 0 3 -4,-1.3 3,-1.1 -5,-0.3 -3,-0.2 0.466 117.6 50.5-138.3 -66.3 51.8 43.1 19.4 384 528 A A G > - 0 0 49 -86,-3.1 4,-2.8 -2,-0.2 5,-0.2 -0.799 29.9-174.5 -92.1 87.8 63.6 36.4 26.8 391 535 A R H > S+ 0 0 156 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.847 73.9 47.6 -60.9 -40.1 64.2 33.2 28.7 392 536 A A H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 114.6 46.8 -68.2 -45.7 67.8 33.7 29.7 393 537 A R H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 112.5 49.7 -61.2 -45.1 67.2 37.3 30.9 394 538 A I H X S+ 0 0 2 -4,-2.8 4,-2.3 -90,-0.2 -214,-0.2 0.940 113.9 45.7 -57.4 -47.9 64.1 36.2 32.9 395 539 A D H X S+ 0 0 86 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.859 111.5 52.2 -69.7 -33.3 66.0 33.3 34.5 396 540 A A H X S+ 0 0 33 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.912 109.6 48.6 -66.8 -44.7 69.1 35.6 35.3 397 541 A L H X S+ 0 0 41 -4,-2.5 4,-0.7 -5,-0.2 -2,-0.2 0.955 113.6 49.2 -58.9 -45.7 66.9 38.2 37.0 398 542 A L H >< S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 6,-0.3 0.944 116.6 37.8 -57.6 -54.6 65.2 35.4 39.0 399 543 A N H 3< S+ 0 0 71 -4,-2.4 32,-0.4 1,-0.2 -1,-0.2 0.699 115.4 52.2 -80.3 -18.1 68.4 33.7 40.2 400 544 A E H 3< S+ 0 0 136 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.472 93.6 96.4 -95.0 -1.5 70.5 36.8 40.8 401 545 A S S << S- 0 0 10 -3,-0.8 30,-0.4 -4,-0.7 3,-0.2 -0.266 78.7-127.3 -77.6 174.4 67.8 38.4 42.9 402 546 A L S > S+ 0 0 59 1,-0.1 3,-1.1 2,-0.1 -1,-0.1 0.432 90.6 87.7 -93.3 -5.7 67.6 38.3 46.7 403 547 A M G > S+ 0 0 48 1,-0.3 3,-0.9 -5,-0.2 -1,-0.1 0.739 71.1 66.4 -77.2 -26.2 64.1 37.0 46.8 404 548 A L G > S+ 0 0 5 -6,-0.3 3,-1.8 1,-0.2 4,-0.3 0.543 73.8 94.8 -74.1 -3.1 64.8 33.2 46.6 405 549 A V G X + 0 0 18 -3,-1.1 3,-2.2 1,-0.3 4,-0.4 0.813 67.9 72.5 -61.0 -30.5 66.3 33.3 50.1 406 550 A T G X S+ 0 0 72 -3,-0.9 3,-1.0 1,-0.3 -1,-0.3 0.713 82.5 71.6 -56.3 -24.8 63.0 32.3 51.7 407 551 A A G < S+ 0 0 18 -3,-1.8 -1,-0.3 1,-0.2 4,-0.3 0.781 93.6 56.1 -60.5 -27.8 63.5 28.8 50.3 408 552 A L G X>>S+ 0 0 0 -3,-2.2 4,-2.0 -4,-0.3 3,-1.2 0.663 81.7 91.5 -77.9 -18.9 66.3 28.3 52.9 409 553 A N H <>5S+ 0 0 52 -3,-1.0 4,-2.0 -4,-0.4 3,-0.2 0.865 86.2 46.2 -49.1 -50.8 64.0 29.1 55.9 410 554 A P H 345S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.800 117.9 44.8 -62.1 -25.9 62.9 25.5 56.6 411 555 A H H <45S+ 0 0 88 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.686 134.7 7.4 -96.7 -24.5 66.5 24.3 56.4 412 556 A I H <5S- 0 0 30 -4,-2.0 4,-0.5 -3,-0.2 -3,-0.2 0.358 106.4-109.2-135.9 1.8 68.5 26.8 58.3 413 557 A G X< - 0 0 32 -4,-2.0 4,-1.8 -5,-0.6 3,-0.3 0.212 36.2 -75.9 80.2 154.6 65.9 29.0 59.9 414 558 A Y H > S+ 0 0 164 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.805 122.6 56.0 -50.0 -42.8 64.8 32.6 59.3 415 559 A D H > S+ 0 0 127 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.906 110.6 41.9 -69.4 -44.9 67.8 34.4 61.0 416 560 A K H > S+ 0 0 86 -4,-0.5 4,-1.7 -3,-0.3 -1,-0.2 0.824 115.3 51.9 -67.5 -36.4 70.5 32.7 59.0 417 561 A A H >X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 3,-0.6 0.974 111.7 46.2 -62.7 -53.8 68.5 33.1 55.8 418 562 A A H 3X S+ 0 0 41 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.814 110.1 56.1 -54.5 -34.2 68.1 36.8 56.5 419 563 A Q H 3X S+ 0 0 82 -4,-1.5 4,-1.3 -5,-0.2 -1,-0.2 0.846 106.6 48.5 -69.2 -37.9 71.8 36.9 57.3 420 564 A I H S+ 0 0 2 -4,-2.7 4,-1.6 2,-0.2 5,-1.6 0.939 114.9 48.3 -55.3 -45.2 74.7 39.2 49.3 425 569 A H H ><5S+ 0 0 140 -4,-2.9 3,-0.6 -5,-0.2 -2,-0.2 0.965 113.6 44.8 -60.8 -54.1 73.1 42.7 49.3 426 570 A K H 3<5S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 121.3 39.4 -58.9 -36.5 76.0 44.4 51.1 427 571 A E H 3<5S- 0 0 107 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.539 104.2-119.8 -99.0 -8.7 78.6 42.7 49.0 428 572 A G T <<5S+ 0 0 72 -4,-1.6 2,-0.2 -3,-0.6 -3,-0.2 0.783 70.5 127.5 76.5 26.8 77.0 42.7 45.5 429 573 A T < - 0 0 50 -5,-1.6 -1,-0.2 -6,-0.3 -2,-0.1 -0.633 64.4 -91.8-112.0 170.7 77.0 38.9 45.3 430 574 A T > - 0 0 61 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.307 37.2-113.7 -69.1 160.8 74.6 36.1 44.6 431 575 A L H > S+ 0 0 5 -30,-0.4 4,-2.0 -32,-0.4 5,-0.1 0.866 118.6 54.6 -60.1 -39.1 72.7 34.5 47.5 432 576 A K H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 107.0 49.3 -63.4 -49.1 74.6 31.2 46.8 433 577 A A H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.931 114.3 44.9 -56.6 -50.2 78.0 33.0 47.0 434 578 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.824 111.7 53.3 -61.2 -33.7 77.1 34.6 50.4 435 579 A A H <>S+ 0 0 1 -4,-2.0 5,-1.8 2,-0.2 6,-0.9 0.916 111.6 45.0 -71.8 -42.7 75.6 31.3 51.7 436 580 A L H ><5S+ 0 0 61 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.885 111.2 54.2 -61.7 -46.0 78.9 29.5 50.9 437 581 A A H 3<5S+ 0 0 68 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.934 109.5 46.3 -56.6 -49.1 81.0 32.3 52.4 438 582 A L T 3<5S- 0 0 51 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.535 108.5-127.8 -70.9 -7.1 79.1 32.1 55.7 439 583 A G T < 5S+ 0 0 63 -3,-1.0 -3,-0.2 -4,-0.3 3,-0.1 0.687 76.4 120.1 66.4 21.1 79.4 28.3 55.6 440 584 A Y S - 0 0 78 -2,-0.3 4,-2.3 -3,-0.1 5,-0.1 -0.399 32.9-109.4 -73.4 159.7 76.9 23.9 50.6 443 587 A D H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.928 121.6 48.5 -49.6 -53.2 76.7 24.3 46.8 444 588 A A H > S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.845 111.0 50.6 -61.2 -37.8 74.9 21.0 46.5 445 589 A Q H > S+ 0 0 72 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.872 107.2 54.2 -66.4 -39.6 72.4 22.0 49.3 446 590 A F H X S+ 0 0 23 -4,-2.3 4,-3.2 1,-0.2 -2,-0.2 0.968 110.5 45.5 -61.0 -53.4 71.6 25.3 47.7 447 591 A D H < S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.807 116.4 46.3 -58.9 -35.8 70.7 23.7 44.4 448 592 A E H < S+ 0 0 59 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.866 121.5 35.7 -74.6 -38.3 68.6 21.0 46.2 449 593 A W H < S+ 0 0 64 -4,-2.7 2,-1.0 1,-0.2 -2,-0.2 0.772 105.6 66.5 -88.9 -32.5 66.8 23.5 48.5 450 594 A V < + 0 0 12 -4,-3.2 -1,-0.2 -5,-0.2 -45,-0.1 -0.783 59.7 158.0 -98.7 91.9 66.3 26.6 46.4 451 595 A R > - 0 0 96 -2,-1.0 3,-2.7 1,-0.2 4,-0.2 -0.844 23.5-171.6-119.7 92.1 63.9 25.4 43.7 452 596 A P G > S+ 0 0 13 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 0.882 86.2 65.8 -52.3 -37.8 62.0 28.4 42.0 453 597 A E G 3 S+ 0 0 92 1,-0.3 3,-0.3 2,-0.1 -261,-0.0 0.637 102.1 48.5 -59.6 -14.1 59.8 25.9 40.2 454 598 A H G < S+ 0 0 132 -3,-2.7 -1,-0.3 1,-0.1 3,-0.3 0.312 98.7 70.0-104.1 8.0 58.4 24.8 43.6 455 599 A M S < S+ 0 0 40 -3,-2.5 -1,-0.1 -4,-0.2 -2,-0.1 0.064 78.4 76.4-113.5 22.6 57.7 28.4 44.8 456 600 A V 0 0 27 1,-0.4 -264,-0.2 -3,-0.3 -1,-0.2 0.199 360.0 360.0-122.2 14.3 54.8 29.3 42.5 457 601 A G 0 0 120 -3,-0.3 -1,-0.4 -266,-0.1 -266,-0.0 -0.183 360.0 360.0 88.0 360.0 51.9 27.4 44.2