==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-NOV-99 1DDI . COMPND 2 MOLECULE: SULFITE REDUCTASE [NADPH] FLAVOPROTEIN ALPHA- . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GRUEZ,D.PIGNOL,M.ZEGHOUF,J.COVES,M.FONTECAVE,J.L.FERRER, . 374 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 11.5 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.9 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 1 0 0 4 1 2 2 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 1 226 A I 0 0 196 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.5 13.0 102.2 5.3 2 227 A H + 0 0 167 1,-0.2 42,-0.1 2,-0.1 0, 0.0 0.068 360.0 155.0-122.0 50.9 11.1 99.3 3.7 3 228 A T - 0 0 141 1,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.508 25.3-165.3 -53.8 -49.8 7.6 99.5 5.2 4 229 A S - 0 0 54 38,-0.0 -1,-0.1 3,-0.0 -2,-0.1 0.932 28.2-127.2 69.5 124.4 5.1 97.9 2.8 5 230 A P S S+ 0 0 95 0, 0.0 7,-0.1 0, 0.0 5,-0.0 -0.189 85.9 72.7 -70.2-172.2 1.4 97.9 2.6 6 231 A Y + 0 0 73 5,-0.1 2,-0.3 207,-0.1 4,-0.1 0.408 50.6 141.4 74.5 112.2 0.9 94.1 2.4 7 232 A S - 0 0 62 3,-1.5 208,-0.1 2,-0.6 -3,-0.0 -0.925 68.7 -61.7-165.6-175.5 1.3 91.6 5.1 8 233 A K S S+ 0 0 92 -2,-0.3 2,-0.2 206,-0.1 -1,-0.1 0.909 134.5 41.5 -52.2 -46.8 -0.3 88.3 6.3 9 234 A D S S+ 0 0 112 1,-0.3 -2,-0.6 -3,-0.1 0, 0.0 -0.505 128.1 28.3 -82.3 155.7 -3.7 90.2 7.0 10 235 A A S S- 0 0 72 -2,-0.2 -3,-1.5 -4,-0.1 -1,-0.3 0.920 90.5-177.8 52.1 51.3 -3.8 92.5 3.8 11 236 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 202,-0.2 -0.262 32.1 -95.7 -78.5 158.8 -1.8 90.2 1.4 12 237 A L E -A 212 0A 16 200,-2.5 200,-2.3 -7,-0.1 2,-1.4 -0.583 27.0-131.5 -79.0 133.3 -0.9 91.1 -2.2 13 238 A V E +A 211 0A 70 -2,-0.3 198,-0.2 198,-0.2 2,-0.1 -0.721 47.6 164.2 -83.5 94.8 -3.3 89.8 -4.9 14 239 A A E -A 210 0A 6 196,-3.3 196,-2.8 -2,-1.4 2,-0.4 -0.401 27.5-117.1-101.9-172.4 -0.6 88.3 -7.1 15 240 A S E -AB 209 37A 42 22,-2.2 22,-3.2 194,-0.2 2,-0.5 -0.941 12.5-116.3-142.5 154.1 -0.8 85.9 -10.0 16 241 A L E + B 0 36A 5 192,-3.0 192,-0.3 -2,-0.4 20,-0.2 -0.444 33.1 165.0 -77.8 120.3 0.4 82.5 -11.0 17 242 A S E + 0 0 39 18,-3.2 2,-0.4 -2,-0.5 19,-0.2 0.880 66.0 21.9-107.7 -38.5 2.7 82.6 -14.1 18 243 A V E + B 0 35A 48 17,-1.9 17,-1.9 2,-0.0 -1,-0.3 -0.942 48.2 174.6-134.0 136.5 4.4 79.1 -14.1 19 244 A N E + B 0 34A 58 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.766 25.6 169.6-136.0 88.2 3.2 75.8 -12.5 20 245 A Q E - B 0 33A 111 13,-2.2 13,-2.9 -2,-0.2 2,-0.1 -0.885 36.2-128.8-119.9 124.3 5.8 73.2 -13.7 21 246 A K E - B 0 32A 77 -2,-0.5 11,-0.3 11,-0.2 9,-0.1 -0.374 24.9-177.5 -69.3 128.1 6.3 69.6 -12.6 22 247 A I + 0 0 42 9,-3.1 2,-0.4 -2,-0.1 251,-0.3 0.239 53.9 85.9-111.2 -4.4 10.0 69.2 -11.8 23 248 A T S S- 0 0 9 8,-0.6 247,-0.2 6,-0.1 246,-0.1 -0.881 84.8-105.9 -98.1 144.8 10.2 65.5 -10.9 24 249 A G > - 0 0 24 245,-3.4 3,-2.5 -2,-0.4 5,-0.1 -0.126 35.8 -93.3 -65.1 176.4 10.6 63.0 -13.7 25 250 A R T 3 S+ 0 0 218 1,-0.3 -1,-0.1 3,-0.1 244,-0.1 0.614 124.2 42.3 -71.0 -15.5 7.9 60.7 -15.1 26 251 A N T 3 S+ 0 0 102 242,-0.1 -1,-0.3 2,-0.0 2,-0.2 -0.031 86.6 119.6-105.7 1.8 8.8 57.8 -12.8 27 252 A S < - 0 0 18 -3,-2.5 -4,-0.1 242,-0.2 243,-0.0 -0.511 61.6-140.9 -59.4 160.1 9.3 59.8 -9.6 28 253 A E S S+ 0 0 159 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.446 81.3 76.4 -87.7 -14.6 7.0 59.0 -6.6 29 254 A K - 0 0 78 -5,-0.1 2,-0.7 240,-0.1 -2,-0.2 -0.820 68.8-146.9-103.6 157.9 6.8 62.7 -5.8 30 255 A D + 0 0 24 152,-0.5 152,-3.3 -2,-0.4 2,-0.4 -0.932 28.8 174.2-111.5 98.7 4.9 65.5 -7.4 31 256 A V E - C 0 181A 6 -2,-0.7 -9,-3.1 150,-0.2 -8,-0.6 -0.961 13.1-157.6-109.5 130.0 7.1 68.6 -7.0 32 257 A R E -BC 21 180A 34 148,-2.4 148,-3.1 -2,-0.4 2,-0.6 -0.927 13.2-148.8-105.9 135.7 6.1 71.9 -8.6 33 258 A H E -BC 20 179A 11 -13,-2.9 -13,-2.2 -2,-0.5 2,-0.4 -0.839 30.0-165.9 -90.6 117.1 8.4 74.8 -9.6 34 259 A I E -BC 19 178A 0 144,-3.2 144,-1.9 -2,-0.6 2,-0.5 -0.922 15.4-167.6-111.4 147.0 6.0 77.8 -9.2 35 260 A E E -BC 18 177A 35 -17,-1.9 -18,-3.2 -2,-0.4 -17,-1.9 -0.970 6.1-167.7-132.9 126.1 6.5 81.4 -10.4 36 261 A I E -BC 16 176A 0 140,-2.7 140,-3.1 -2,-0.5 2,-0.5 -0.946 17.7-132.7-119.7 124.7 4.2 84.1 -9.2 37 262 A D E -BC 15 175A 51 -22,-3.2 -22,-2.2 -2,-0.5 138,-0.2 -0.791 11.6-165.9 -78.1 130.4 4.2 87.4 -10.8 38 263 A L > - 0 0 5 136,-2.8 3,-2.1 -2,-0.5 5,-0.4 0.389 22.1-168.6-104.6 11.6 4.4 90.4 -8.5 39 264 A G T 3 - 0 0 31 135,-0.6 3,-0.4 1,-0.2 -1,-0.3 -0.202 60.7 -29.2 45.0-133.5 3.3 92.9 -11.2 40 265 A D T 3 S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.126 105.7 106.7 -77.3 -16.8 3.8 96.5 -10.2 41 266 A S S < S- 0 0 26 -3,-2.1 -1,-0.2 133,-0.1 -2,-0.1 0.656 74.1-136.7 -55.9 -26.8 3.3 96.1 -6.5 42 267 A G + 0 0 48 -3,-0.4 -3,-0.1 1,-0.3 -2,-0.1 0.521 38.2 168.0 72.4 16.2 7.0 96.5 -5.5 43 268 A L - 0 0 8 -5,-0.4 2,-0.3 131,-0.1 -1,-0.3 -0.453 17.9-166.1 -57.6 128.9 6.7 93.5 -3.0 44 269 A R + 0 0 174 -42,-0.1 2,-0.3 -3,-0.1 170,-0.1 -0.829 17.6 162.7-123.7 154.1 10.4 92.9 -2.1 45 270 A Y - 0 0 14 -2,-0.3 124,-0.4 4,-0.0 171,-0.0 -0.949 25.4-130.9-159.3 165.5 12.2 90.0 -0.4 46 271 A Q > - 0 0 102 -2,-0.3 3,-2.8 122,-0.1 119,-0.2 -0.891 42.4 -82.7-121.4 157.3 15.7 88.6 -0.0 47 272 A P T 3 S+ 0 0 12 0, 0.0 175,-0.3 0, 0.0 173,-0.1 -0.218 119.4 41.1 -54.7 129.9 17.1 85.1 -0.5 48 273 A G T 3 S+ 0 0 1 1,-0.5 171,-0.1 117,-0.4 173,-0.1 0.108 91.8 109.0 113.0 -26.1 16.3 83.2 2.8 49 274 A D < - 0 0 1 -3,-2.8 116,-2.3 115,-0.1 -1,-0.5 -0.313 61.7-131.5 -72.4 177.6 12.9 84.8 3.2 50 275 A A E -DE 164 215A 9 165,-2.5 165,-3.0 114,-0.3 2,-0.5 -0.851 7.1-125.7-131.6 154.7 9.7 82.8 2.8 51 276 A L E -DE 163 214A 0 112,-2.6 112,-1.5 -2,-0.3 2,-0.5 -0.900 18.3-147.4-103.5 121.6 6.5 83.3 0.8 52 277 A G E -DE 162 213A 0 161,-2.6 161,-1.7 -2,-0.5 2,-0.5 -0.792 17.9-161.9 -85.3 128.1 3.3 83.1 2.8 53 278 A V E -DE 161 212A 0 108,-2.9 108,-1.7 -2,-0.5 159,-0.2 -0.944 12.1-153.1-127.4 117.5 0.5 81.7 0.6 54 279 A W - 0 0 65 157,-2.3 2,-0.3 -2,-0.5 157,-0.1 -0.284 27.0-176.5 -74.7 148.7 -3.2 82.0 1.4 55 280 A Y - 0 0 7 37,-0.2 2,-0.4 155,-0.1 141,-0.1 -0.988 22.4-132.2-147.0 164.1 -5.1 79.1 -0.3 56 281 A Q - 0 0 27 -2,-0.3 36,-0.2 139,-0.2 35,-0.1 -0.941 30.8-109.5-116.1 148.4 -8.7 78.0 -0.8 57 282 A N - 0 0 0 34,-3.3 5,-0.1 -2,-0.4 138,-0.0 -0.351 47.2 -87.0 -67.1 157.1 -9.8 74.4 -0.1 58 283 A D >> - 0 0 59 1,-0.2 4,-2.0 2,-0.1 3,-0.7 -0.367 31.6-140.3 -57.4 124.2 -10.8 72.3 -3.1 59 284 A P H 3> S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.843 103.8 56.8 -63.5 -27.3 -14.5 73.0 -3.9 60 285 A A H 3> S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.843 105.8 51.6 -72.7 -31.8 -15.0 69.3 -4.7 61 286 A L H <> S+ 0 0 20 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.914 110.2 47.7 -70.0 -42.6 -13.7 68.5 -1.1 62 287 A V H X S+ 0 0 5 -4,-2.0 4,-3.4 2,-0.2 5,-0.3 0.929 112.1 51.1 -58.1 -46.7 -16.2 71.0 0.4 63 288 A K H X S+ 0 0 119 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.958 108.2 50.5 -56.6 -49.1 -18.9 69.4 -1.7 64 289 A E H X S+ 0 0 39 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.979 114.7 44.9 -52.6 -44.1 -18.1 65.9 -0.6 65 290 A L H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.924 113.2 49.9 -67.8 -48.7 -18.2 67.0 3.1 66 291 A V H ><>S+ 0 0 6 -4,-3.4 5,-2.4 2,-0.2 3,-0.5 0.961 113.4 46.3 -58.6 -46.3 -21.4 69.0 2.6 67 292 A E H ><5S+ 0 0 110 -4,-2.8 3,-2.2 -5,-0.3 -2,-0.2 0.944 107.2 55.1 -63.6 -38.6 -23.1 66.0 1.0 68 293 A L H 3<5S+ 0 0 34 -4,-2.7 76,-0.2 1,-0.3 -1,-0.2 0.796 111.2 48.3 -68.9 -21.6 -21.9 63.4 3.6 69 294 A L T <<5S- 0 0 5 -4,-1.6 77,-0.3 -3,-0.5 -1,-0.3 0.327 113.5-121.5 -95.7 4.3 -23.5 65.7 6.1 70 295 A W T < 5S+ 0 0 151 -3,-2.2 -3,-0.2 -4,-0.2 2,-0.2 0.885 76.2 109.4 59.9 36.1 -26.8 66.0 4.1 71 296 A L < - 0 0 42 -5,-2.4 2,-0.2 -6,-0.2 -1,-0.1 -0.578 52.9-150.4-105.1-168.3 -26.5 70.0 3.8 72 297 A K > - 0 0 54 1,-0.6 3,-0.6 -2,-0.2 14,-0.1 -0.653 41.3 -90.3-123.3-163.1 -25.7 72.4 0.9 73 298 A G T 3 S+ 0 0 2 -2,-0.2 2,-3.6 1,-0.2 -1,-0.6 0.618 106.9 89.9 -68.1-130.8 -23.9 76.0 1.2 74 299 A D T 3 + 0 0 87 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 -0.341 63.7 110.9 57.3 -67.2 -27.2 77.9 1.6 75 300 A E < - 0 0 49 -2,-3.6 11,-2.0 -3,-0.6 2,-0.2 -0.081 68.8-138.6 -68.2 116.8 -26.5 77.2 5.4 76 301 A P E +F 85 0B 97 0, 0.0 2,-0.3 0, 0.0 73,-0.2 -0.497 28.4 173.7 -67.3 143.0 -25.7 80.5 7.1 77 302 A V E -F 84 0B 6 7,-2.7 7,-3.5 -2,-0.2 2,-0.5 -0.954 30.4-116.2-149.3 162.4 -22.8 80.5 9.5 78 303 A T E -F 83 0B 89 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.874 26.8-179.7-107.0 117.5 -20.9 83.1 11.5 79 304 A V E > S-F 82 0B 21 3,-3.0 3,-2.3 -2,-0.5 -2,-0.0 -0.983 76.5 -27.1-124.4 117.8 -17.2 83.6 10.9 80 305 A E T 3 S- 0 0 107 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.946 128.1 -47.9 45.5 55.5 -15.5 86.2 13.0 81 306 A G T 3 S+ 0 0 74 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.272 117.5 106.2 75.7 -17.1 -18.8 88.0 13.3 82 307 A K E < -F 79 0B 54 -3,-2.3 -3,-3.0 2,-0.0 2,-0.5 -0.685 67.8-125.8-101.1 156.5 -19.9 88.0 9.6 83 308 A T E +F 78 0B 101 -2,-0.3 -5,-0.2 -5,-0.2 -3,-0.0 -0.877 38.0 165.8 -98.5 122.4 -22.6 85.7 8.3 84 309 A L E -F 77 0B 28 -7,-3.5 -7,-2.7 -2,-0.5 2,-0.1 -0.971 42.0 -95.7-135.9 159.0 -21.7 83.5 5.3 85 310 A P E >> -F 76 0B 47 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.349 42.7-116.5 -68.2 141.4 -23.0 80.5 3.4 86 311 A L H 3> S+ 0 0 0 -11,-2.0 4,-2.6 1,-0.2 5,-0.3 0.878 110.1 55.7 -53.4 -42.7 -21.4 77.3 4.7 87 312 A N H 3> S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 109.2 48.7 -71.4 -15.6 -19.6 76.4 1.5 88 313 A E H <>>S+ 0 0 78 -3,-0.8 4,-2.7 2,-0.2 5,-0.6 0.902 110.3 49.8 -80.9 -39.6 -17.8 79.7 1.4 89 314 A A H X>S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.8 0.934 115.7 45.7 -65.6 -38.9 -16.8 79.5 5.1 90 315 A L H <5S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.3 -33,-0.3 0.884 115.0 44.8 -71.1 -35.2 -15.4 76.0 4.3 91 316 A Q H <5S+ 0 0 37 -4,-1.8 -34,-3.3 -5,-0.3 -2,-0.2 0.944 132.2 16.2 -75.9 -43.0 -13.7 76.9 1.2 92 317 A W H <5S+ 0 0 100 -4,-2.7 -3,-0.2 -36,-0.2 -2,-0.2 0.636 127.7 40.0 -99.8 -29.0 -12.0 80.1 2.4 93 318 A H T < - 0 0 30 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.975 36.4-114.5-129.5 164.9 -6.1 66.1 14.7 101 326 A A H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.866 120.3 52.4 -52.7 -47.6 -6.5 64.0 17.8 102 327 A N H > S+ 0 0 95 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.874 108.6 47.5 -63.3 -39.2 -8.6 66.9 19.2 103 328 A I H > S+ 0 0 4 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.935 113.9 48.1 -74.9 -40.8 -10.9 67.1 16.2 104 329 A V H X S+ 0 0 0 -4,-2.9 4,-3.6 2,-0.2 -2,-0.2 0.959 114.1 45.4 -58.8 -48.4 -11.5 63.3 16.2 105 330 A E H X S+ 0 0 53 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.937 116.4 46.2 -66.7 -44.4 -12.2 63.3 20.0 106 331 A N H X S+ 0 0 69 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.918 114.7 46.8 -63.9 -40.0 -14.5 66.3 19.7 107 332 A Y H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.3 6,-0.4 0.940 111.8 51.6 -71.6 -38.3 -16.3 64.9 16.7 108 333 A A H X S+ 0 0 0 -4,-3.6 4,-0.9 -5,-0.3 5,-0.5 0.866 115.8 40.8 -57.1 -41.9 -16.6 61.5 18.4 109 334 A T H < S+ 0 0 74 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.890 114.1 51.5 -77.7 -48.9 -18.1 63.2 21.5 110 335 A L H < S+ 0 0 75 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.934 123.3 27.5 -54.1 -48.2 -20.3 65.6 19.7 111 336 A T H < S- 0 0 18 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.544 96.0-132.2 -95.1 -9.9 -21.9 63.0 17.5 112 337 A R < - 0 0 168 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.781 28.7-158.8 55.5 39.2 -21.6 60.0 19.8 113 338 A S > - 0 0 8 -5,-0.5 4,-2.0 -6,-0.4 -1,-0.2 -0.097 13.2-146.8 -41.1 130.8 -20.2 58.0 16.9 114 339 A E T 4 S+ 0 0 182 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.875 100.3 43.7 -68.6 -34.2 -20.7 54.4 17.8 115 340 A T T 4 S+ 0 0 88 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.831 118.1 39.3 -87.3 -25.4 -17.6 53.7 15.9 116 341 A L T >> S+ 0 0 4 -8,-0.1 3,-2.6 1,-0.1 4,-0.5 0.687 93.8 82.3 -99.7 -10.4 -15.3 56.5 17.1 117 342 A L G >< S+ 0 0 68 -4,-2.0 3,-2.0 1,-0.3 -3,-0.1 0.892 82.2 64.4 -58.9 -39.4 -16.4 56.6 20.8 118 343 A P G 34 S+ 0 0 84 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.679 100.3 53.8 -58.4 -21.1 -14.0 53.7 21.7 119 344 A L G X4 S+ 0 0 27 -3,-2.6 3,-1.8 6,-0.1 7,-0.3 0.609 82.5 114.2 -81.2 -25.1 -11.2 56.1 20.7 120 345 A V T << S+ 0 0 54 -3,-2.0 3,-0.1 -4,-0.5 5,-0.0 -0.337 85.1 9.9 -53.0 135.4 -12.3 58.9 23.1 121 346 A G T 3 S+ 0 0 64 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.551 101.0 109.9 73.4 8.8 -9.9 59.5 26.0 122 347 A D <> - 0 0 59 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 -0.847 49.2-168.6-120.7 95.7 -7.2 57.3 24.3 123 348 A K H > S+ 0 0 159 -2,-0.6 4,-2.9 2,-0.2 5,-0.4 0.932 83.0 48.1 -49.1 -56.7 -4.3 59.6 23.1 124 349 A A H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 114.7 45.3 -60.9 -42.3 -2.4 57.0 21.0 125 350 A K H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.924 113.6 50.8 -67.5 -38.5 -5.5 55.7 19.2 126 351 A L H X S+ 0 0 5 -4,-2.6 4,-2.2 -7,-0.3 -2,-0.2 0.885 111.8 45.4 -64.2 -47.0 -6.7 59.3 18.6 127 352 A Q H X S+ 0 0 103 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.891 114.6 49.6 -65.4 -38.0 -3.4 60.5 17.1 128 353 A H H X S+ 0 0 127 -4,-2.1 4,-1.6 -5,-0.4 -2,-0.2 0.933 110.6 49.2 -67.0 -42.3 -3.1 57.4 15.0 129 354 A Y H X S+ 0 0 38 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.908 115.0 44.6 -60.3 -49.5 -6.7 57.8 13.7 130 355 A A H < S+ 0 0 12 -4,-2.2 -31,-0.4 2,-0.2 3,-0.3 0.878 108.8 56.4 -60.3 -41.1 -6.1 61.4 12.8 131 356 A A H < S+ 0 0 91 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.872 121.1 30.1 -74.8 -12.2 -2.7 60.7 11.2 132 357 A T H < S+ 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.480 114.2 58.4-125.1 -6.3 -4.3 58.2 8.9 133 358 A T S < S- 0 0 10 -4,-1.2 -1,-0.2 -3,-0.3 5,-0.1 -0.915 70.3-144.3-135.7 109.5 -7.9 59.5 8.3 134 359 A P > - 0 0 8 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.310 32.0-104.2 -65.4 162.1 -8.6 62.9 6.9 135 360 A I H > S+ 0 0 3 -39,-0.4 4,-2.4 1,-0.3 5,-0.2 0.850 119.4 55.3 -52.7 -57.1 -11.6 64.8 8.2 136 361 A V H > S+ 0 0 3 -40,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.918 112.6 42.3 -53.7 -46.4 -13.7 64.1 5.0 137 362 A D H > S+ 0 0 0 -3,-0.4 4,-3.5 2,-0.2 -2,-0.2 0.891 106.7 60.4 -72.8 -27.2 -13.3 60.3 5.5 138 363 A M H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.956 109.8 45.6 -58.2 -42.6 -13.8 60.4 9.3 139 364 A V H >< S+ 0 0 5 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.934 111.8 50.1 -73.0 -34.9 -17.2 61.8 8.4 140 365 A R H 3< S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.896 114.4 45.1 -59.6 -55.6 -17.8 59.2 5.7 141 366 A F H 3< S+ 0 0 79 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.666 120.8 39.1 -65.4 -25.5 -16.9 56.4 8.1 142 367 A S S << S- 0 0 1 -4,-1.6 -1,-0.2 -3,-0.7 -29,-0.1 -0.698 79.2-161.6-127.2 74.5 -19.0 57.8 11.0 143 368 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 -74,-0.1 -0.340 28.0 143.8 -56.6 136.3 -22.3 59.2 9.6 144 369 A A - 0 0 17 -76,-0.2 2,-0.3 -31,-0.1 -2,-0.1 -0.900 51.9 -99.3-167.8 145.8 -24.0 61.5 12.0 145 370 A Q + 0 0 172 -2,-0.3 2,-0.3 -34,-0.1 -75,-0.1 -0.584 39.6 176.8 -75.8 137.3 -26.1 64.7 11.7 146 371 A L - 0 0 13 -77,-0.3 2,-0.2 -2,-0.3 -2,-0.0 -0.986 26.8-131.1-137.3 123.2 -24.2 68.0 12.3 147 372 A D > - 0 0 67 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.479 33.4-109.7 -60.0 163.3 -25.7 71.5 12.0 148 373 A A H > S+ 0 0 8 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.889 119.3 52.2 -65.2 -32.4 -23.5 73.8 9.9 149 374 A E H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.822 108.0 49.0 -72.9 -36.4 -22.6 75.8 13.0 150 375 A A H > S+ 0 0 30 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.881 110.7 52.7 -72.6 -34.8 -21.5 72.7 15.0 151 376 A L H >X S+ 0 0 4 -4,-2.2 4,-0.8 2,-0.2 3,-0.5 0.972 112.1 44.0 -61.7 -48.6 -19.4 71.7 11.9 152 377 A I H >< S+ 0 0 14 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.950 108.0 59.7 -66.5 -31.9 -17.6 75.1 11.8 153 378 A N H 3< S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 104.4 51.1 -64.3 -35.1 -17.2 75.1 15.6 154 379 A L H << S+ 0 0 18 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.779 97.8 82.5 -74.7 -26.5 -15.2 71.9 15.3 155 380 A L S << S- 0 0 12 -3,-1.3 -59,-0.1 -4,-0.8 3,-0.0 -0.474 75.5-122.1 -87.3 159.2 -12.8 73.1 12.6 156 381 A R - 0 0 109 -61,-0.3 -61,-3.4 -2,-0.1 3,-0.1 -0.714 39.9 -99.3 -89.1 130.1 -9.5 75.2 12.9 157 382 A P B -G 94 0C 87 0, 0.0 -63,-0.3 0, 0.0 2,-0.2 -0.301 42.4-101.4 -44.7 145.7 -9.3 78.4 10.9 158 383 A L - 0 0 9 -65,-2.0 -63,-0.0 -63,-0.1 -104,-0.0 -0.500 43.0-171.9 -72.8 146.0 -7.5 78.4 7.6 159 384 A T - 0 0 72 -2,-0.2 -106,-0.0 -3,-0.1 -3,-0.0 -0.956 27.6 -99.3-138.6 154.3 -3.9 79.8 7.8 160 385 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 -106,-0.2 -0.257 33.4-130.5 -75.6 155.3 -1.4 80.6 5.1 161 386 A R E -D 53 0A 51 -108,-1.7 -108,-2.9 35,-0.0 2,-0.3 -0.784 16.7-130.6-104.5 144.1 1.4 78.1 4.4 162 387 A L E -D 52 0A 93 -2,-0.3 2,-0.4 -110,-0.2 -110,-0.2 -0.734 20.5-173.3 -99.7 132.8 5.1 79.2 4.1 163 388 A Y E -D 51 0A 36 -112,-1.5 -112,-2.6 -2,-0.3 17,-0.1 -0.944 31.3-115.0-125.7 120.8 7.3 78.2 1.2 164 389 A S E -D 50 0A 15 -2,-0.4 15,-0.5 -114,-0.2 -114,-0.3 -0.259 40.7-108.3 -52.4 137.8 11.0 79.0 1.2 165 390 A I - 0 0 0 -116,-2.3 79,-0.5 -119,-0.2 -117,-0.4 -0.444 29.0-166.5 -76.3 136.3 11.7 81.5 -1.7 166 391 A A + 0 0 0 11,-3.4 2,-0.3 -2,-0.2 12,-0.2 0.066 60.8 58.1-106.8 21.6 13.6 79.9 -4.5 167 392 A S - 0 0 0 10,-0.4 2,-0.4 -121,-0.1 77,-0.2 -0.966 66.8-133.1-138.6 166.4 14.6 83.0 -6.5 168 393 A S >> - 0 0 1 -2,-0.3 4,-3.1 75,-0.2 3,-1.1 -0.969 17.1-138.5-115.3 134.3 16.6 86.2 -6.1 169 394 A Q T 34 S+ 0 0 32 -2,-0.4 -1,-0.1 -124,-0.4 -123,-0.1 0.752 102.2 72.3 -65.0 -21.0 15.0 89.4 -7.4 170 395 A A T 34 S+ 0 0 56 1,-0.2 -1,-0.3 3,-0.1 78,-0.1 0.929 115.7 24.3 -61.7 -32.1 18.4 90.4 -8.7 171 396 A E T <4 S+ 0 0 109 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.816 131.7 36.0 -90.7 -47.5 17.7 87.6 -11.3 172 397 A V S < S- 0 0 12 -4,-3.1 3,-0.1 1,-0.2 5,-0.0 -0.623 83.1-159.6 -96.0 169.4 13.9 87.3 -11.5 173 398 A E + 0 0 142 1,-0.2 2,-2.1 -2,-0.2 -1,-0.2 0.269 68.8 3.8-118.9 -77.1 12.5 90.7 -11.1 174 399 A N S S+ 0 0 71 2,-0.0 -136,-2.8 -137,-0.0 -135,-0.6 -0.282 114.6 99.3 -90.4 54.7 9.1 91.5 -10.0 175 400 A E E -C 37 0A 53 -2,-2.1 2,-0.4 -138,-0.2 -138,-0.2 -0.966 57.4-155.2-139.3 146.4 8.6 87.7 -9.6 176 401 A V E -C 36 0A 1 -140,-3.1 -140,-2.7 -2,-0.3 2,-0.3 -0.999 13.5-161.9-116.7 141.9 8.7 85.3 -6.7 177 402 A H E +C 35 0A 5 -2,-0.4 -11,-3.4 -142,-0.2 -10,-0.4 -0.833 9.0 180.0-120.7 153.1 9.5 81.6 -7.2 178 403 A V E -C 34 0A 0 -144,-1.9 -144,-3.2 -2,-0.3 2,-0.6 -0.953 25.3-135.0-150.5 152.8 8.8 78.6 -4.8 179 404 A T E -C 33 0A 7 -15,-0.5 2,-0.7 -2,-0.3 -146,-0.2 -0.952 28.4-168.6-118.0 95.8 9.4 74.8 -4.8 180 405 A V E -C 32 0A 0 -148,-3.1 -148,-2.4 -2,-0.6 2,-0.5 -0.838 17.0-153.3-100.3 119.5 6.3 73.0 -3.7 181 406 A G E -C 31 0A 32 -2,-0.7 2,-0.5 -150,-0.2 -150,-0.2 -0.654 26.0-136.3 -78.1 121.5 6.1 69.3 -2.8 182 407 A V - 0 0 13 -152,-3.3 2,-0.6 -2,-0.5 -152,-0.5 -0.741 8.4-138.6 -91.1 115.4 2.5 68.3 -3.4 183 408 A V + 0 0 79 -2,-0.5 11,-1.6 11,-0.1 2,-0.3 -0.795 36.4 165.8 -70.5 117.2 1.1 66.2 -0.6 184 409 A R E +H 193 0D 101 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.993 6.2 134.7-138.0 135.5 -1.0 63.5 -2.4 185 410 A Y E -H 192 0D 96 7,-2.2 7,-2.9 -2,-0.3 2,-0.3 -0.955 36.5-122.3-162.7 179.5 -2.4 60.2 -1.1 186 411 A D E -H 191 0D 94 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.975 2.5-152.4-140.8 155.7 -5.6 58.2 -1.2 187 412 A V E > S-H 190 0D 19 3,-2.4 3,-3.2 -2,-0.3 -54,-0.0 -0.997 88.8 -28.3-119.9 114.1 -8.2 56.8 1.1 188 413 A E T 3 S- 0 0 135 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.857 128.4 -45.5 54.6 31.6 -9.9 53.7 -0.4 189 414 A G T 3 S+ 0 0 64 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 0.481 109.9 124.8 89.7 -16.3 -9.3 55.1 -4.0 190 415 A R E < -H 187 0D 53 -3,-3.2 -3,-2.4 1,-0.0 2,-0.3 -0.830 63.8-128.1 -84.1 116.1 -10.5 58.7 -3.0 191 416 A A E -H 186 0D 86 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.585 31.8-175.8 -61.6 129.8 -7.7 61.1 -4.0 192 417 A R E +H 185 0D 22 -7,-2.9 -7,-2.2 -2,-0.3 2,-0.3 -0.938 3.4 176.9-123.4 153.5 -6.7 63.3 -1.1 193 418 A A E -H 184 0D 20 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.1 -0.960 37.9 -84.9-153.5 167.2 -4.1 66.2 -0.9 194 419 A G > - 0 0 16 -11,-1.6 4,-1.5 -2,-0.3 5,-0.2 -0.523 44.1-126.4 -62.0 141.6 -2.6 69.0 1.2 195 420 A G H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -139,-0.2 0.915 99.1 29.4 -61.4 -64.2 -4.8 72.0 1.1 196 421 A A H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.813 119.8 51.1 -71.2 -41.2 -2.2 74.8 -0.0 197 422 A S H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.930 115.1 43.6 -70.9 -30.5 0.2 72.6 -2.1 198 423 A S H X>S+ 0 0 5 -4,-1.5 4,-3.0 1,-0.2 5,-0.5 0.794 108.8 58.8 -82.8 -30.0 -2.7 71.1 -4.1 199 424 A F H X5S+ 0 0 6 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.2 0.952 112.9 38.9 -56.5 -50.4 -4.3 74.6 -4.5 200 425 A L H <5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.954 121.0 46.0 -67.7 -38.8 -1.1 75.9 -6.2 201 426 A A H <5S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.812 132.3 6.2 -79.0 -30.5 -0.6 72.7 -8.1 202 427 A D H <5S+ 0 0 82 -4,-3.0 -3,-0.2 2,-0.1 -2,-0.2 0.615 117.5 31.6-128.9 -19.1 -4.1 72.0 -9.4 203 428 A R S < + 0 0 30 -171,-0.2 3,-0.9 3,-0.2 -1,-0.1 -0.810 14.0 175.1-134.4 92.1 13.8 85.8 7.9 218 443 A D T 3 S+ 0 0 110 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.564 79.1 66.7 -71.9 -10.1 16.8 87.7 9.0 219 444 A N T 3 S+ 0 0 117 1,-0.2 152,-0.4 -171,-0.1 -1,-0.3 -0.107 95.4 58.3 -94.1 20.5 18.3 84.5 10.5 220 445 A F S < S+ 0 0 0 -3,-0.9 2,-0.3 150,-0.1 -1,-0.2 -0.533 77.0 128.8-148.2 82.7 18.8 82.9 7.1 221 446 A R - 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0 0 0 27,-2.2 29,-0.2 -2,-0.6 94,-0.1 -0.466 21.7-177.1-145.6 83.2 19.0 71.2 1.5 235 460 A P > - 0 0 24 0, 0.0 3,-2.0 0, 0.0 94,-0.2 -0.275 61.7 -8.8 -70.1 157.6 17.6 67.8 0.4 236 461 A G G > S- 0 0 12 27,-2.5 3,-1.5 1,-0.3 4,-0.1 -0.208 141.2 -10.7 56.8-134.5 14.2 67.3 -1.2 237 462 A T G > S+ 0 0 41 1,-0.3 3,-1.9 2,-0.1 -1,-0.3 0.665 120.4 87.2 -75.4 -8.5 12.2 70.6 -1.2 238 463 A G G < + 0 0 0 -3,-2.0 4,-0.4 1,-0.3 -1,-0.3 0.637 69.7 78.3 -62.0 -4.3 14.9 72.0 1.2 239 464 A I G X> + 0 0 0 -3,-1.5 4,-1.4 1,-0.2 3,-0.6 0.685 69.0 93.2 -77.4 -18.2 16.9 73.0 -1.9 240 465 A A H X> S+ 0 0 3 -3,-1.9 4,-1.5 1,-0.2 3,-0.8 0.868 83.2 42.1 -39.1 -65.7 14.6 76.1 -2.5 241 466 A P H 3> S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.777 110.0 62.5 -62.6 -22.3 16.5 79.0 -0.7 242 467 A F H <> S+ 0 0 0 -3,-0.6 4,-1.8 -4,-0.4 -2,-0.2 0.817 100.4 50.6 -80.1 -28.2 19.8 77.5 -2.1 243 468 A R H S+ 0 0 6 -4,-3.3 5,-1.8 2,-0.2 4,-0.2 0.875 115.0 48.9 -69.0 -26.4 25.7 85.1 -5.9 250 475 A A H ><5S+ 0 0 30 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.979 112.8 46.6 -75.7 -45.6 25.7 84.6 -9.7 251 476 A A H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.813 116.4 44.9 -58.4 -36.9 24.0 88.0 -10.3 252 477 A D T 3<5S- 0 0 92 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.348 105.6-132.2 -85.2 -2.2 26.4 89.7 -7.8 253 478 A E T < 5 - 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