==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-FEB-10 3LXQ . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN VP1736; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR A.J.STEIN,A.WEGER,E.DUGGAN,S.CLANCY,A.JOACHIMIAK,MIDWEST . 817 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 64 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 1 0 5 2 2 1 0 2 0 0 1 1 0 0 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 PARALLEL BRIDGES PER LADDER . 4 6 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 4 0 2 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 1 239 A S >> 0 0 67 0, 0.0 3,-0.5 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 125.0 -4.0 45.5 -31.7 2 240 A A H >> + 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.7 0.771 360.0 67.3 -69.9 -28.3 -5.3 48.4 -29.6 3 241 A E H 3> S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.903 96.7 56.0 -53.8 -42.8 -5.9 50.6 -32.6 4 242 A Q H <4 S+ 0 0 80 -3,-0.5 357,-0.3 1,-0.2 -1,-0.2 0.736 114.9 36.7 -63.9 -26.6 -8.6 48.2 -33.8 5 243 A F H << S+ 0 0 69 -3,-0.7 357,-2.2 -4,-0.5 358,-0.3 0.833 127.7 25.9 -95.0 -39.3 -10.6 48.5 -30.5 6 244 A Y H < S- 0 0 8 -4,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.502 109.9 -98.8-111.0 -11.0 -10.3 52.1 -29.4 7 245 A G < - 0 0 1 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.1 -0.210 44.1 -64.4 105.8 160.9 -9.6 54.1 -32.6 8 246 A K + 0 0 61 -2,-0.1 2,-0.3 -4,-0.1 386,-0.0 -0.340 43.1 179.0 -77.0 158.7 -6.6 55.5 -34.3 9 247 A X - 0 0 15 -2,-0.1 2,-0.0 385,-0.1 -2,-0.0 -0.901 36.0-101.9-158.1 139.8 -4.3 58.3 -33.0 10 248 A D > - 0 0 117 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.362 29.4-126.3 -61.9 136.5 -1.2 59.9 -34.5 11 249 A N H > S+ 0 0 66 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.875 109.4 50.8 -50.2 -43.7 2.0 58.5 -33.0 12 250 A Q H > S+ 0 0 133 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.958 112.2 43.4 -61.2 -57.8 3.2 62.1 -32.2 13 251 A K H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.918 117.6 48.7 -53.4 -46.8 -0.0 63.2 -30.4 14 252 A X H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.952 112.1 46.0 -59.9 -55.2 -0.2 59.9 -28.6 15 253 A L H X S+ 0 0 11 -4,-3.2 4,-3.1 1,-0.2 5,-0.2 0.862 111.1 54.0 -57.7 -39.4 3.5 59.9 -27.4 16 254 A D H X S+ 0 0 78 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.931 110.8 44.6 -63.2 -43.9 3.2 63.5 -26.3 17 255 A L H X S+ 0 0 52 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.838 114.6 50.1 -70.0 -33.1 0.2 62.8 -24.1 18 256 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.961 114.4 43.2 -67.3 -52.6 1.8 59.7 -22.7 19 257 A R H X S+ 0 0 37 -4,-3.1 4,-1.0 2,-0.2 5,-0.5 0.933 117.3 45.9 -59.4 -49.7 5.1 61.5 -21.9 20 258 A A H >< S+ 0 0 76 -4,-2.8 3,-0.7 -5,-0.2 -1,-0.2 0.949 114.6 46.4 -59.3 -50.6 3.3 64.5 -20.4 21 259 A S H 3< S+ 0 0 13 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.749 104.2 65.3 -66.7 -20.8 0.8 62.5 -18.4 22 260 A S H 3< S- 0 0 4 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.867 90.6-145.5 -64.6 -37.3 3.7 60.3 -17.1 23 261 A T << + 0 0 55 -4,-1.0 -3,-0.1 -3,-0.7 -2,-0.1 0.383 49.8 142.5 75.6 2.0 5.4 63.1 -15.2 24 262 A K - 0 0 20 -5,-0.5 -1,-0.3 300,-0.2 2,-0.3 -0.271 35.7-152.8 -64.8 157.9 8.8 61.6 -16.1 25 263 A I + 0 0 102 12,-0.3 12,-0.6 1,-0.2 -1,-0.0 -0.857 60.5 39.8-133.6 166.6 11.6 64.0 -16.9 26 264 A D S S- 0 0 107 -2,-0.3 11,-1.2 10,-0.2 -1,-0.2 0.929 72.6-170.7 58.6 52.8 14.8 64.1 -19.0 27 265 A F B -A 36 0A 56 9,-0.2 9,-0.3 -3,-0.2 -1,-0.1 -0.397 16.6-169.7 -71.5 148.4 13.4 62.2 -21.9 28 266 A D >> + 0 0 52 7,-2.4 3,-1.0 4,-0.3 4,-1.0 -0.685 7.9 176.2-140.9 84.5 15.7 61.0 -24.8 29 267 A P T 34 + 0 0 74 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.400 65.2 82.3 -78.6 4.2 13.6 59.8 -27.7 30 268 A T T 34 S+ 0 0 122 2,-0.2 -2,-0.0 5,-0.1 0, 0.0 0.877 104.8 29.3 -72.0 -41.1 16.6 59.1 -30.0 31 269 A L T <4 S- 0 0 62 -3,-1.0 377,-0.1 1,-0.4 -1,-0.1 0.963 145.9 -11.4 -79.2 -66.8 17.3 55.7 -28.4 32 270 A L S >< S- 0 0 10 -4,-1.0 3,-1.9 373,-0.0 -1,-0.4 -0.990 70.3-117.2-134.6 143.6 13.7 54.9 -27.3 33 271 A P T 3 S+ 0 0 19 0, 0.0 -3,-0.1 0, 0.0 372,-0.1 0.666 113.5 31.0 -54.6 -28.1 10.6 57.3 -27.4 34 272 A T T 3 S+ 0 0 0 370,-0.4 287,-0.1 -6,-0.1 371,-0.0 0.225 82.7 138.6-115.3 13.3 10.0 57.2 -23.6 35 273 A X < + 0 0 4 -3,-1.9 -7,-2.4 -7,-0.2 2,-0.3 -0.367 29.9 170.8 -54.9 131.1 13.6 56.7 -22.5 36 274 A N E -AB 27 321A 2 285,-2.8 285,-2.1 -9,-0.3 2,-0.5 -0.997 32.6-126.2-149.0 149.4 14.1 58.9 -19.4 37 275 A S E + B 0 320A 35 -11,-1.2 -12,-0.3 -12,-0.6 283,-0.2 -0.852 25.8 175.0-100.9 128.6 16.6 59.5 -16.7 38 276 A N E - B 0 319A 17 281,-1.8 281,-2.7 -2,-0.5 2,-0.2 -0.950 20.8-144.7-131.9 111.1 15.6 59.3 -13.1 39 277 A P - 0 0 70 0, 0.0 279,-0.1 0, 0.0 274,-0.1 -0.541 31.5-105.1 -74.3 141.8 18.2 59.6 -10.3 40 278 A A - 0 0 7 -2,-0.2 273,-0.1 1,-0.1 278,-0.1 -0.360 13.9-142.4 -64.8 141.8 17.5 57.5 -7.2 41 279 A T S S+ 0 0 72 269,-0.2 2,-0.2 276,-0.1 273,-0.2 0.958 90.1 66.6 -65.0 -54.3 16.2 59.2 -4.1 42 280 A Y + 0 0 75 271,-2.0 -2,-0.1 1,-0.1 273,-0.0 -0.510 61.4 178.0 -70.9 135.4 18.3 57.0 -1.8 43 281 A Q + 0 0 133 -2,-0.2 -1,-0.1 271,-0.1 3,-0.1 0.330 44.0 96.2-126.1 5.9 22.0 57.6 -2.4 44 282 A G S S- 0 0 39 1,-0.2 3,-0.1 0, 0.0 -2,-0.0 -0.107 94.1 -39.9 -81.5-172.5 23.8 55.3 0.1 45 283 A K S S- 0 0 83 1,-0.1 -1,-0.2 -2,-0.0 -2,-0.0 -0.254 82.8 -90.1 -53.0 133.6 25.2 51.8 -0.7 46 284 A R - 0 0 90 270,-0.2 270,-0.2 -3,-0.1 2,-0.2 -0.145 45.8-136.1 -51.4 133.0 22.8 50.0 -3.1 47 285 A K - 0 0 9 268,-2.3 212,-0.2 -3,-0.1 2,-0.1 -0.581 16.2-106.9 -90.4 155.6 20.2 48.0 -1.3 48 286 A N E -c 259 0B 4 210,-3.2 212,-2.4 -2,-0.2 2,-0.5 -0.429 33.4-139.6 -66.9 153.9 19.0 44.4 -2.0 49 287 A L E -cd 260 203B 0 153,-2.5 155,-3.0 210,-0.2 2,-0.5 -0.952 19.4-177.8-128.3 118.0 15.5 44.2 -3.5 50 288 A V E -cd 261 204B 0 210,-2.9 212,-1.9 -2,-0.5 2,-0.6 -0.952 6.3-166.9-116.6 117.9 13.0 41.6 -2.6 51 289 A I E -cd 262 205B 0 153,-3.4 155,-3.2 -2,-0.5 2,-0.9 -0.934 2.4-165.7-103.4 119.3 9.6 41.5 -4.3 52 290 A L E -cd 263 206B 0 210,-2.9 212,-1.5 -2,-0.6 2,-0.3 -0.804 13.3-160.7-108.4 88.3 7.0 39.3 -2.6 53 291 A L E -cd 264 207B 0 153,-2.6 155,-2.4 -2,-0.9 2,-0.8 -0.556 6.1-145.3 -78.8 127.1 4.3 38.9 -5.2 54 292 A Q E > -c 265 0B 4 210,-3.0 212,-1.6 -2,-0.3 3,-1.5 -0.832 12.8-129.3-105.7 106.4 1.0 37.8 -3.8 55 293 A E T 3 S- 0 0 8 -2,-0.8 156,-0.1 1,-0.3 3,-0.1 -0.337 83.7 -20.8 -52.8 119.2 -1.1 35.5 -5.9 56 294 A S T 3 S+ 0 0 7 1,-0.2 2,-2.1 212,-0.2 213,-0.6 0.600 84.6 157.1 57.1 20.1 -4.7 36.9 -6.2 57 295 A L < + 0 0 9 -3,-1.5 208,-0.2 211,-0.2 -1,-0.2 -0.465 18.9 179.4 -79.3 76.3 -4.4 39.0 -3.0 58 296 A G > - 0 0 0 -2,-2.1 3,-1.7 226,-0.2 226,-0.2 -0.346 42.6-111.0 -72.4 160.4 -7.1 41.5 -3.7 59 297 A A G > S+ 0 0 5 224,-2.5 3,-1.9 1,-0.3 8,-0.7 0.734 113.2 73.7 -62.6 -26.8 -8.0 44.3 -1.3 60 298 A Q G 3 S+ 0 0 77 223,-0.3 8,-2.5 1,-0.3 -1,-0.3 0.715 98.4 48.0 -57.8 -23.2 -11.3 42.6 -0.6 61 299 A F G < S+ 0 0 10 -3,-1.7 2,-0.6 6,-0.2 9,-0.4 0.287 93.6 95.4-100.6 7.1 -9.3 40.0 1.4 62 300 A V X > - 0 0 0 -3,-1.9 5,-1.8 1,-0.2 3,-1.0 -0.888 55.0-163.0-110.2 114.5 -7.3 42.6 3.4 63 301 A G G > 5S+ 0 0 22 -2,-0.6 3,-2.2 1,-0.2 -1,-0.2 0.925 93.0 52.7 -54.0 -51.6 -8.5 43.7 6.8 64 302 A S G 3 5S+ 0 0 36 1,-0.3 -1,-0.2 7,-0.2 -5,-0.0 0.658 108.9 52.7 -64.3 -15.2 -6.3 46.8 7.0 65 303 A L G < 5S- 0 0 33 -3,-1.0 -1,-0.3 -6,-0.2 -2,-0.2 0.174 126.7 -97.7-105.0 15.4 -7.9 47.9 3.6 66 304 A G T < 5S+ 0 0 71 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.145 88.7 109.0 96.8 -18.5 -11.4 47.4 4.8 67 305 A G S + 0 0 1 -3,-0.4 4,-3.0 1,-0.1 -7,-0.2 -0.318 49.9 148.8-130.7 54.7 -4.7 39.2 6.7 72 310 A P H > S+ 0 0 69 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.838 79.3 49.6 -61.5 -35.9 -3.8 39.9 10.4 73 311 A N H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.931 115.5 43.0 -64.4 -46.3 -0.0 39.4 9.9 74 312 A L H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 109.9 57.4 -65.3 -43.1 -0.0 41.8 6.8 75 313 A D H X S+ 0 0 34 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.865 109.3 45.9 -52.0 -43.9 -2.3 44.3 8.6 76 314 A E H >X S+ 0 0 123 -4,-1.6 3,-0.7 -5,-0.2 4,-0.7 0.915 111.9 49.9 -67.2 -46.7 0.3 44.6 11.4 77 315 A L H 3< S+ 0 0 9 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.738 100.9 67.0 -63.3 -25.7 3.2 44.9 9.0 78 316 A X H >< S+ 0 0 3 -4,-1.9 3,-1.2 1,-0.2 218,-0.3 0.867 97.5 51.4 -62.3 -40.8 1.2 47.6 7.2 79 317 A Q H << S+ 0 0 112 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.764 104.2 61.2 -66.3 -25.9 1.6 49.9 10.2 80 318 A E T 3< S+ 0 0 77 -4,-0.7 210,-0.3 -3,-0.2 -1,-0.2 0.457 114.0 5.8 -84.5 -0.9 5.3 49.2 10.2 81 319 A G S < S- 0 0 1 -3,-1.2 215,-2.7 -4,-0.2 2,-1.0 -0.714 99.5 -36.6-153.5-157.9 5.9 50.7 6.7 82 320 A W E -Ef 288 296B 12 206,-2.6 206,-2.5 213,-0.3 2,-0.4 -0.729 57.1-172.6 -85.7 99.6 4.9 52.5 3.5 83 321 A Q E -Ef 287 297B 20 213,-2.8 215,-2.8 -2,-1.0 2,-0.6 -0.797 14.5-150.1-100.9 131.9 1.3 51.3 2.9 84 322 A F E + f 0 298B 1 202,-2.4 3,-0.5 -2,-0.4 202,-0.5 -0.926 14.4 180.0-106.5 118.4 -0.4 52.3 -0.3 85 323 A T S S+ 0 0 30 213,-2.2 214,-0.2 -2,-0.6 -1,-0.1 0.541 81.3 44.8 -96.9 -7.4 -4.2 52.6 0.2 86 324 A Q S S+ 0 0 25 212,-0.6 216,-2.1 214,-0.3 2,-0.4 -0.242 78.2 141.6-129.8 45.6 -5.0 53.4 -3.5 87 325 A X E -Jk 284 302C 0 197,-0.5 197,-2.3 -3,-0.5 2,-0.4 -0.728 28.1-168.3 -89.6 132.2 -2.9 50.9 -5.4 88 326 A Y E -Jk 283 303C 2 214,-2.0 216,-1.6 -2,-0.4 195,-0.2 -0.974 19.3-131.1-126.7 135.7 -4.3 49.3 -8.5 89 327 A A - 0 0 0 193,-2.9 178,-0.1 -2,-0.4 8,-0.1 -0.489 15.0-139.2 -70.0 147.9 -3.2 46.4 -10.7 90 328 A T S S+ 0 0 0 251,-0.2 252,-2.6 6,-0.1 2,-0.2 0.617 81.5 19.6 -80.0 -16.9 -3.0 47.2 -14.4 91 329 A G - 0 0 2 175,-0.3 177,-0.4 250,-0.2 -2,-0.1 -0.699 64.6-124.4-139.1-170.7 -4.5 43.7 -15.1 92 330 A T S S+ 0 0 11 -2,-0.2 2,-0.3 175,-0.1 178,-0.1 0.391 82.5 77.8-117.1 -5.1 -6.5 40.6 -13.9 93 331 A R S >> S- 0 0 106 173,-0.1 4,-1.6 1,-0.1 3,-0.6 -0.808 79.4-121.8-116.9 150.6 -4.0 37.9 -14.7 94 332 A S H 3> S+ 0 0 15 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.889 111.0 54.4 -53.9 -46.9 -0.8 36.7 -13.0 95 333 A V H 3> S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.823 106.0 53.8 -61.9 -29.6 1.5 37.3 -16.0 96 334 A R H <> S+ 0 0 18 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.862 107.3 50.6 -73.2 -33.6 0.3 41.0 -16.2 97 335 A G H X S+ 0 0 1 -4,-1.6 4,-1.7 -3,-0.2 -2,-0.2 0.866 112.1 47.1 -66.5 -36.7 1.2 41.4 -12.5 98 336 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.4 0.916 111.0 53.0 -66.2 -45.7 4.6 40.0 -13.3 99 337 A E H X>S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 5,-1.2 0.942 109.7 49.0 -48.6 -52.3 4.8 42.3 -16.3 100 338 A A H <5S+ 0 0 0 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.841 116.8 37.8 -62.9 -40.8 4.0 45.3 -14.1 101 339 A V H <5S+ 0 0 2 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.650 123.7 38.5 -93.0 -13.3 6.6 44.7 -11.4 102 340 A T H <5S+ 0 0 0 -4,-1.9 24,-3.0 -5,-0.1 25,-0.5 0.716 136.5 12.9-102.7 -24.4 9.4 43.4 -13.5 103 341 A T T <5S- 0 0 0 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 0.594 80.4-137.2-124.4 -27.5 9.1 45.7 -16.6 104 342 A G < + 0 0 0 -5,-1.2 220,-0.4 -4,-0.3 221,-0.2 0.558 49.6 155.4 76.9 7.8 6.7 48.5 -15.6 105 343 A F - 0 0 4 -6,-0.7 -1,-0.3 19,-0.2 -2,-0.1 -0.479 41.1-124.3 -75.3 132.7 5.1 48.1 -19.0 106 344 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.134 33.9 -88.8 -71.9 173.0 1.5 49.3 -19.2 107 345 A P - 0 0 0 0, 0.0 289,-0.5 0, 0.0 290,-0.3 -0.332 34.8-173.4 -86.7 162.0 -1.4 47.0 -20.4 108 346 A S - 0 0 9 2,-0.5 236,-0.1 288,-0.2 286,-0.1 -0.847 45.3-100.5-136.8 174.5 -2.9 46.2 -23.8 109 347 A P S S+ 0 0 29 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.554 105.8 77.8 -70.0 -9.9 -6.0 44.3 -25.0 110 348 A S S S- 0 0 49 1,-0.2 -2,-0.5 235,-0.0 3,-0.1 -0.287 100.5 -75.4 -88.2 179.9 -3.4 41.6 -25.7 111 349 A R - 0 0 147 1,-0.1 -1,-0.2 -2,-0.1 5,-0.0 -0.371 60.7 -86.1 -70.4 151.6 -1.7 39.2 -23.3 112 350 A A > - 0 0 3 1,-0.1 3,-2.2 -3,-0.1 4,-0.2 -0.219 43.9-105.1 -49.9 152.4 1.1 40.5 -21.1 113 351 A V T 3 S+ 0 0 1 1,-0.3 3,-0.5 2,-0.2 6,-0.2 0.570 113.1 80.9 -64.6 -10.4 4.5 40.5 -22.7 114 352 A V T 3 S+ 0 0 0 1,-0.2 -1,-0.3 -19,-0.2 39,-0.2 0.830 105.7 32.9 -60.2 -28.7 5.5 37.4 -20.6 115 353 A K S < S+ 0 0 42 -3,-2.2 2,-0.3 38,-0.0 -1,-0.2 0.319 97.5 102.6-111.1 4.2 3.6 35.5 -23.3 116 354 A L - 0 0 17 -3,-0.5 3,-0.4 -4,-0.2 4,-0.0 -0.713 67.3-135.7 -96.2 145.7 4.3 37.6 -26.4 117 355 A S S > S+ 0 0 100 -2,-0.3 3,-1.0 1,-0.2 4,-0.1 0.842 100.1 51.8 -70.6 -36.7 6.9 36.4 -28.9 118 356 A K G > S+ 0 0 93 1,-0.2 3,-0.5 2,-0.1 -1,-0.2 0.751 106.5 55.9 -70.8 -24.6 8.7 39.6 -29.5 119 357 A S G 3 S+ 0 0 0 -3,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.253 78.2 95.5 -91.8 12.5 9.3 40.2 -25.8 120 358 A Q G < S+ 0 0 34 -3,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.681 91.8 26.3 -79.3 -17.2 11.0 36.9 -25.1 121 359 A T S < S+ 0 0 108 -3,-0.5 36,-0.2 -4,-0.1 -1,-0.2 -0.998 124.5 4.5-147.7 142.9 14.5 38.4 -25.5 122 360 A G S S+ 0 0 34 34,-1.1 285,-1.8 -2,-0.3 286,-0.3 0.722 80.6 144.1 54.5 26.6 16.0 41.8 -24.9 123 361 A F B -L 406 0D 14 -4,-0.3 2,-0.3 283,-0.3 283,-0.3 -0.645 62.4 -90.7 -84.1 152.3 12.8 43.4 -23.6 124 362 A F + 0 0 8 281,-3.2 2,-0.3 -2,-0.2 -19,-0.2 -0.508 58.6 157.0 -67.8 125.8 13.3 45.9 -20.9 125 363 A T > - 0 0 0 -2,-0.3 4,-1.6 -21,-0.1 -22,-0.2 -0.982 50.4-128.9-138.6 152.4 13.2 44.5 -17.3 126 364 A I H > S+ 0 0 0 -24,-3.0 4,-2.6 -2,-0.3 5,-0.2 0.705 108.3 69.2 -69.4 -18.9 14.6 45.7 -14.0 127 365 A A H > S+ 0 0 0 -25,-0.5 4,-2.3 30,-0.2 -1,-0.2 0.964 104.9 36.0 -59.8 -54.8 16.1 42.2 -13.8 128 366 A D H > S+ 0 0 26 29,-0.6 4,-3.0 2,-0.2 -2,-0.2 0.809 115.3 56.6 -75.8 -24.4 18.5 42.8 -16.6 129 367 A L H X S+ 0 0 24 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.971 112.4 41.5 -63.8 -52.1 19.1 46.5 -15.6 130 368 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.872 114.9 52.1 -63.4 -38.1 20.1 45.3 -12.1 131 369 A K H ><5S+ 0 0 29 -4,-2.3 3,-2.4 3,-0.2 -2,-0.2 0.960 109.4 48.1 -60.2 -54.3 22.2 42.5 -13.6 132 370 A E H 3<5S+ 0 0 138 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.4 56.4 -53.2 -32.9 24.0 44.9 -15.9 133 371 A Q T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.297 132.3 -91.2 -84.3 6.8 24.5 47.0 -12.8 134 372 A G T < 5S+ 0 0 30 -3,-2.4 2,-0.2 1,-0.3 -3,-0.2 0.569 80.9 136.9 97.3 11.2 26.3 44.1 -11.0 135 373 A Y < - 0 0 1 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.3 -0.614 54.4-127.4 -86.5 147.1 23.3 42.4 -9.2 136 374 A H E -g 202 0B 43 65,-2.2 67,-2.6 -2,-0.2 2,-0.4 -0.794 33.1-156.0 -81.8 136.6 22.5 38.7 -8.9 137 375 A T E +g 203 0B 0 -2,-0.4 24,-1.9 65,-0.2 23,-1.8 -0.965 18.4 165.3-124.7 135.3 19.0 38.3 -10.2 138 376 A Q E -gh 204 161B 0 65,-2.5 67,-2.2 -2,-0.4 2,-0.4 -0.950 28.8-145.6-145.7 161.3 16.6 35.4 -9.3 139 377 A F E -gh 205 162B 0 22,-1.1 24,-2.5 -2,-0.3 2,-0.5 -1.000 15.7-160.7-127.2 125.4 13.0 34.2 -9.3 140 378 A I E +gh 206 163B 0 65,-3.6 67,-2.3 -2,-0.4 2,-0.3 -0.962 20.3 162.6-111.7 125.7 11.7 32.1 -6.5 141 379 A Y E -g 207 0B 4 22,-2.0 67,-0.1 -2,-0.5 4,-0.1 -0.950 36.6-143.6-138.0 151.4 8.6 30.0 -7.1 142 380 A G S S+ 0 0 1 65,-0.6 37,-1.7 -2,-0.3 26,-0.1 0.724 83.5 37.6 -87.7 -26.0 6.9 27.0 -5.4 143 381 A G S S- 0 0 1 35,-0.3 22,-2.6 1,-0.1 2,-0.6 0.095 112.1 -40.4-103.4-147.7 5.6 25.2 -8.5 144 382 A E > - 0 0 77 20,-0.2 3,-1.5 1,-0.1 -1,-0.1 -0.788 44.6-152.2 -90.4 121.6 6.8 24.6 -12.1 145 383 A A T 3 S+ 0 0 0 -2,-0.6 6,-2.8 1,-0.3 7,-0.2 0.641 89.9 68.7 -71.0 -18.1 8.5 27.8 -13.5 146 384 A N T > S+ 0 0 41 4,-0.2 3,-1.9 5,-0.2 -1,-0.3 0.676 76.9 112.4 -69.5 -18.9 7.6 26.9 -17.2 147 385 A F G X S+ 0 0 45 -3,-1.5 3,-2.0 1,-0.3 4,-0.3 -0.252 87.5 6.5 -57.5 140.9 4.0 27.6 -16.2 148 386 A D G 3 S- 0 0 26 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.743 123.8 -80.8 51.1 24.1 2.6 30.7 -17.9 149 387 A N G <> S+ 0 0 44 -3,-1.9 4,-2.2 1,-0.1 -1,-0.3 0.650 94.3 137.7 65.1 15.5 5.8 30.9 -19.9 150 388 A X H <> + 0 0 0 -3,-2.0 4,-3.2 1,-0.2 5,-0.3 0.947 63.0 51.5 -61.4 -53.5 7.6 32.5 -16.9 151 389 A K H > S+ 0 0 29 -6,-2.8 4,-2.8 -4,-0.3 5,-0.2 0.865 112.7 46.7 -52.6 -44.6 10.9 30.7 -16.9 152 390 A T H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 115.4 44.9 -66.8 -46.6 11.4 31.4 -20.6 153 391 A F H X S+ 0 0 0 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.882 116.8 45.9 -62.2 -39.7 10.6 35.1 -20.3 154 392 A F H ><>S+ 0 0 0 -4,-3.2 5,-2.1 -5,-0.2 3,-0.8 0.946 114.9 45.7 -73.0 -46.1 12.7 35.4 -17.1 155 393 A F H ><5S+ 0 0 108 -4,-2.8 3,-0.6 -5,-0.3 -2,-0.2 0.832 113.6 50.0 -62.7 -38.2 15.7 33.6 -18.5 156 394 A G H 3<5S+ 0 0 31 -4,-2.1 -34,-1.1 -5,-0.2 -1,-0.2 0.631 114.0 48.8 -73.0 -13.9 15.5 35.5 -21.8 157 395 A N T <<5S- 0 0 3 -3,-0.8 -29,-0.6 -4,-0.6 -1,-0.2 -0.258 126.7 -65.3-132.3 48.5 15.3 38.8 -19.9 158 396 A G T < 5S+ 0 0 19 -3,-0.6 2,-0.4 1,-0.3 -3,-0.2 0.356 82.8 130.3 99.8 -6.0 18.0 39.2 -17.2 159 397 A F < - 0 0 8 -5,-2.1 -1,-0.3 1,-0.2 -21,-0.2 -0.701 31.3-173.3 -81.6 133.0 17.3 36.6 -14.6 160 398 A D + 0 0 84 -23,-1.8 2,-0.3 -2,-0.4 -22,-0.2 0.935 66.7 27.7 -85.4 -63.1 20.4 34.5 -13.6 161 399 A Q E -h 138 0B 44 -24,-1.9 -22,-1.1 2,-0.0 2,-0.4 -0.783 60.6-162.3-105.9 142.1 19.0 31.8 -11.3 162 400 A I E -h 139 0B 19 -2,-0.3 2,-0.6 -24,-0.2 -22,-0.2 -0.988 5.0-164.6-124.7 123.2 15.5 30.3 -11.2 163 401 A V E +h 140 0B 4 -24,-2.5 -22,-2.0 -2,-0.4 2,-0.2 -0.924 26.2 152.6-104.1 121.0 14.5 28.4 -8.0 164 402 A E > - 0 0 4 -2,-0.6 3,-2.6 -24,-0.2 4,-0.2 -0.714 58.9 -62.4-139.0-169.7 11.5 26.2 -8.6 165 403 A E G > S+ 0 0 71 -22,-2.6 3,-1.9 1,-0.3 -21,-0.1 0.820 123.9 61.1 -49.5 -42.2 9.7 23.0 -7.3 166 404 A K G 3 S+ 0 0 162 1,-0.3 -1,-0.3 -23,-0.2 -22,-0.1 0.637 100.1 58.5 -61.0 -15.6 12.6 20.7 -8.3 167 405 A N G < S+ 0 0 64 -3,-2.6 2,-0.7 1,-0.0 -1,-0.3 0.386 78.9 100.8 -97.4 -0.9 14.9 22.6 -5.9 168 406 A Y < - 0 0 27 -3,-1.9 16,-0.0 -4,-0.2 15,-0.0 -0.794 49.6-171.4 -92.4 111.9 12.9 22.1 -2.7 169 407 A T S S+ 0 0 126 -2,-0.7 -1,-0.2 1,-0.2 -3,-0.0 0.940 73.4 3.2 -68.4 -53.0 14.5 19.3 -0.6 170 408 A N S S- 0 0 153 13,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.453 72.0-172.7-141.3 69.3 11.9 18.7 2.2 171 409 A P - 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0 0 23 -2,-1.2 4,-2.1 -16,-0.2 5,-0.1 -0.888 69.4-114.0-131.2 166.6 -11.6 27.7 0.4 232 470 A R H > S+ 0 0 64 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.952 115.4 52.9 -63.3 -50.7 -10.2 30.9 -1.1 233 471 A N H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.916 112.5 44.6 -51.1 -49.3 -10.7 32.8 2.1 234 472 A N H > S+ 0 0 0 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.869 110.3 53.8 -66.5 -40.0 -8.7 30.2 4.1 235 473 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.891 110.3 48.4 -60.3 -41.5 -6.0 29.9 1.5 236 474 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.957 112.7 47.7 -59.5 -50.9 -5.5 33.7 1.7 237 475 A K H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.881 111.9 50.4 -61.1 -38.9 -5.5 33.5 5.5 238 476 A Y H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.950 109.5 50.5 -57.8 -51.4 -3.0 30.6 5.2 239 477 A S H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.856 109.1 52.4 -56.9 -38.4 -0.8 32.8 2.9 240 478 A D H X S+ 0 0 6 -4,-2.6 4,-2.4 -170,-0.3 -1,-0.2 0.921 110.1 46.8 -59.7 -49.3 -1.0 35.6 5.4 241 479 A Y H X S+ 0 0 52 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.898 112.3 52.2 -57.5 -41.4 0.2 33.3 8.2 242 480 A A H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.867 108.8 48.9 -65.5 -38.0 2.9 32.1 5.8 243 481 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 3,-0.2 0.895 107.6 55.5 -66.3 -42.1 4.0 35.7 5.1 244 482 A G H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.866 104.8 52.9 -57.9 -41.7 4.2 36.4 8.8 245 483 A T H X S+ 0 0 21 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.812 108.0 52.0 -64.5 -32.5 6.5 33.5 9.3 246 484 A F H X S+ 0 0 0 -4,-1.1 4,-3.0 -3,-0.2 -2,-0.2 0.941 112.3 43.9 -65.6 -49.1 8.8 35.0 6.6 247 485 A F H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.786 107.2 58.9 -70.5 -28.6 8.9 38.4 8.3 248 486 A D H < S+ 0 0 112 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.863 116.0 36.9 -63.4 -37.1 9.5 36.9 11.7 249 487 A K H >< S+ 0 0 72 -4,-1.0 3,-1.2 -3,-0.2 -2,-0.2 0.887 114.1 56.8 -77.9 -43.8 12.6 35.3 10.3 250 488 A A H >< S+ 0 0 0 -4,-3.0 3,-1.4 1,-0.3 6,-0.3 0.847 101.8 55.6 -57.3 -40.2 13.4 38.3 8.1 251 489 A K T 3< S+ 0 0 83 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.656 112.4 41.6 -73.6 -17.5 13.5 40.7 11.0 252 490 A K T < S+ 0 0 91 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.048 100.2 112.2-111.4 24.4 16.2 38.6 12.8 253 491 A S S < S- 0 0 19 -3,-1.4 4,-0.3 1,-0.1 3,-0.2 -0.369 75.8-121.2 -97.8 171.4 18.1 37.9 9.6 254 492 A S S S+ 0 0 78 1,-0.2 4,-0.1 2,-0.1 -1,-0.1 0.525 111.1 51.9 -89.3 -7.9 21.5 39.0 8.2 255 493 A Y S > S+ 0 0 0 -5,-0.2 3,-1.1 1,-0.1 4,-0.2 0.568 82.4 92.4 -99.7 -11.4 20.0 40.6 5.2 256 494 A W G > S+ 0 0 40 -6,-0.3 3,-1.1 1,-0.3 35,-0.8 0.836 83.2 51.2 -56.3 -45.1 17.5 42.9 7.0 257 495 A D G 3 S+ 0 0 132 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.817 115.5 43.6 -55.8 -33.3 19.7 46.0 7.3 258 496 A D G < S+ 0 0 76 -3,-1.1 -210,-3.2 -4,-0.1 2,-0.4 0.207 100.8 82.8-107.7 12.9 20.5 45.9 3.6 259 497 A T E < -c 48 0B 1 -3,-1.1 2,-0.5 -4,-0.2 32,-0.4 -0.936 52.3-152.5-136.2 142.8 17.2 45.2 1.9 260 498 A I E -c 49 0B 0 -212,-2.4 -210,-2.9 -2,-0.4 2,-0.4 -0.941 22.8-164.0-106.2 131.2 13.9 46.7 0.7 261 499 A F E -cI 50 289B 0 28,-2.9 28,-2.6 -2,-0.5 2,-0.4 -0.895 6.3-164.7-114.4 141.8 10.9 44.4 0.6 262 500 A I E -cI 51 288B 0 -212,-1.9 -210,-2.9 -2,-0.4 2,-0.7 -0.996 5.8-162.1-125.5 127.4 7.6 45.0 -1.2 263 501 A V E +cI 52 287B 1 24,-2.7 24,-2.0 -2,-0.4 2,-0.3 -0.947 33.5 149.9-102.0 114.9 4.4 43.0 -0.5 264 502 A I E -cI 53 286B 0 -212,-1.5 -210,-3.0 -2,-0.7 22,-0.2 -0.998 40.9-123.7-148.0 141.3 2.2 43.4 -3.5 265 503 A A E -c 54 0B 0 20,-1.2 -210,-0.2 -2,-0.3 3,-0.1 -0.373 11.3-139.2 -76.7 161.3 -0.5 41.4 -5.3 266 504 A D S S- 0 0 0 -212,-1.6 -175,-0.3 1,-0.4 2,-0.3 0.700 80.4 -40.7 -86.5 -24.3 -0.4 40.4 -9.0 267 505 A H - 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