==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-DEC-07 3BOB . COMPND 2 MOLECULE: CADMIUM-SPECIFIC CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THALASSIOSIRA WEISSFLOGII; . AUTHOR Y.XU,L.FENG,P.D.JEFFREY,Y.SHI,F.M.M.MOREL . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 . 13 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 4.3 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 0 0 1 2 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 224 A I 0 0 89 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.2 25.4 6.9 5.7 2 225 A S > - 0 0 47 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.326 360.0-105.5 -82.2 165.7 23.3 9.2 3.5 3 226 A P H > S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.902 123.1 50.4 -57.0 -39.4 20.9 8.1 0.7 4 227 A A H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.874 108.3 51.4 -66.8 -37.5 23.4 9.2 -1.9 5 228 A Q H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 109.9 51.0 -67.3 -33.7 26.2 7.2 -0.2 6 229 A I H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.955 111.1 47.1 -67.6 -47.1 23.9 4.2 -0.2 7 230 A A H X S+ 0 0 8 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.906 112.4 50.3 -59.0 -43.2 23.2 4.6 -4.0 8 231 A E H X S+ 0 0 134 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.921 109.2 51.1 -60.8 -45.0 26.9 5.0 -4.7 9 232 A A H < S+ 0 0 42 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.897 113.6 44.2 -61.2 -42.1 27.8 1.9 -2.7 10 233 A L H ><>S+ 0 0 10 -4,-2.3 5,-2.3 1,-0.2 3,-1.3 0.903 111.1 53.1 -69.7 -40.4 25.2 -0.2 -4.7 11 234 A Q H ><5S+ 0 0 103 -4,-2.8 3,-2.1 1,-0.3 -2,-0.2 0.885 102.4 60.1 -62.1 -35.2 26.2 1.3 -8.0 12 235 A G T 3<5S+ 0 0 74 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.681 104.5 50.8 -64.7 -18.1 29.8 0.3 -7.2 13 236 A R T < 5S- 0 0 90 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.173 130.9 -93.5-102.9 12.5 28.5 -3.3 -7.0 14 237 A G T < 5S+ 0 0 51 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.611 80.3 137.1 88.5 12.6 26.8 -3.1 -10.4 15 238 A W < - 0 0 12 -5,-2.3 2,-0.4 -8,-0.1 -1,-0.2 -0.467 54.7-127.7 -89.3 162.7 23.3 -2.1 -9.2 16 239 A D E +a 203 0A 114 186,-2.3 188,-2.6 -2,-0.1 2,-0.3 -0.888 37.8 179.2-100.5 138.5 20.9 0.5 -10.6 17 240 A A E +a 204 0A 18 -2,-0.4 2,-0.4 186,-0.2 188,-0.2 -0.981 11.3 179.3-146.8 131.8 19.8 2.7 -7.7 18 241 A E E -a 205 0A 97 186,-2.2 188,-2.8 -2,-0.3 2,-0.5 -0.988 25.1-129.3-135.1 145.5 17.5 5.7 -7.5 19 242 A I E -a 206 0A 80 -2,-0.4 2,-0.3 186,-0.2 188,-0.2 -0.808 32.0-175.7 -93.8 127.8 16.4 7.9 -4.6 20 243 A V E -a 207 0A 18 186,-2.7 188,-2.3 -2,-0.5 2,-0.1 -0.855 22.6-105.7-124.0 159.9 12.6 8.3 -4.3 21 244 A T E -a 208 0A 74 -2,-0.3 4,-0.4 186,-0.2 3,-0.2 -0.423 18.1-126.4 -83.8 157.8 10.3 10.4 -2.1 22 245 A D S > S+ 0 0 60 186,-1.1 3,-1.6 1,-0.2 7,-0.2 0.886 113.1 61.6 -65.8 -34.7 8.1 9.2 0.8 23 246 A A G > S+ 0 0 71 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.861 95.2 60.0 -58.9 -36.0 5.2 10.9 -1.1 24 247 A S G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.709 105.3 49.8 -66.0 -17.7 5.8 8.5 -4.0 25 248 A M G X> S+ 0 0 5 -3,-1.6 3,-2.2 -4,-0.4 4,-1.1 0.210 78.3 142.5-105.0 12.0 5.1 5.6 -1.7 26 249 A A T <4 + 0 0 77 -3,-1.7 -3,-0.1 1,-0.3 -4,-0.0 -0.284 67.8 30.3 -54.9 134.2 1.8 7.1 -0.2 27 250 A G T 34 S+ 0 0 88 2,-0.2 -1,-0.3 0, 0.0 -4,-0.0 0.250 118.4 60.2 97.7 -12.5 -0.7 4.4 0.4 28 251 A Q T <4 S+ 0 0 68 -3,-2.2 134,-0.5 133,-0.0 2,-0.3 0.595 77.5 92.6-117.9 -24.8 2.1 1.8 1.1 29 252 A L < - 0 0 42 -4,-1.1 2,-0.3 -7,-0.2 -2,-0.2 -0.580 53.7-175.7 -77.0 135.1 3.9 3.2 4.0 30 253 A V E -D 160 0B 47 130,-2.5 130,-2.4 -2,-0.3 2,-0.2 -0.960 27.9-109.6-131.5 148.7 2.7 2.0 7.4 31 254 A D E -D 159 0B 106 -2,-0.3 128,-0.3 128,-0.2 2,-0.2 -0.532 38.8-111.7 -73.4 141.5 3.7 2.8 11.0 32 255 A V - 0 0 30 126,-2.5 21,-0.2 -2,-0.2 20,-0.1 -0.533 34.0-159.4 -72.2 139.6 5.6 0.1 12.8 33 256 A R > - 0 0 103 19,-2.2 3,-1.9 -2,-0.2 125,-0.0 -0.932 25.1-123.9-120.4 145.7 3.5 -1.4 15.7 34 257 A P T 3 S+ 0 0 80 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 0.776 110.0 61.7 -60.3 -24.6 4.9 -3.3 18.7 35 258 A E T 3 S+ 0 0 102 52,-0.1 2,-0.2 2,-0.1 18,-0.1 0.638 86.9 97.4 -74.9 -13.9 2.7 -6.3 17.8 36 259 A G S < S- 0 0 0 -3,-1.9 52,-2.2 16,-0.3 2,-0.3 -0.501 76.4-119.1 -82.3 144.6 4.4 -6.7 14.5 37 260 A I E -e 88 0C 0 13,-2.3 2,-0.8 -2,-0.2 16,-0.3 -0.575 15.5-126.8 -82.1 141.1 7.2 -9.1 13.9 38 261 A L E +e 89 0C 0 50,-2.8 52,-0.9 -2,-0.3 22,-0.4 -0.811 56.5 163.0 -79.8 116.3 10.7 -8.0 12.8 39 262 A K B -f 55 0D 3 15,-2.2 17,-2.5 -2,-0.8 20,-0.3 -0.730 33.7 -60.0-135.3-178.2 10.8 -10.3 9.8 40 263 A C - 0 0 8 15,-0.2 -1,-0.1 -2,-0.2 131,-0.0 -0.183 33.3-124.2 -72.2 159.0 12.6 -10.9 6.5 41 264 A V + 0 0 11 15,-0.3 130,-1.3 14,-0.1 -1,-0.1 0.526 68.1 134.5 -72.3 -12.3 12.9 -8.8 3.4 42 265 A D - 0 0 6 14,-0.2 127,-0.0 128,-0.2 128,-0.0 -0.061 53.0-145.0 -40.6 133.3 11.4 -11.7 1.5 43 266 A G + 0 0 0 120,-0.1 121,-0.4 125,-0.1 126,-0.2 0.506 60.7 106.9 -88.7 1.4 8.7 -10.5 -0.9 44 267 A R S S- 0 0 4 1,-0.1 100,-0.1 119,-0.1 121,-0.1 -0.266 73.4-105.4 -82.2 161.9 6.4 -13.5 -0.6 45 268 A G + 0 0 9 98,-0.4 98,-2.3 120,-0.1 2,-0.3 -0.349 47.6 169.2 -71.8 164.2 3.1 -14.0 1.1 46 269 A S B -G 142 0E 31 96,-0.3 96,-0.3 2,-0.2 48,-0.1 -0.909 50.5 -84.5-161.5-175.0 3.1 -16.0 4.3 47 270 A D S S+ 0 0 84 94,-2.0 2,-0.1 -2,-0.3 95,-0.1 0.267 72.1 141.8 -88.0 12.9 1.2 -17.1 7.4 48 271 A N + 0 0 21 1,-0.2 -2,-0.2 93,-0.1 3,-0.1 -0.355 23.2 170.0 -63.4 126.3 2.1 -13.9 9.2 49 272 A T + 0 0 109 -2,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.151 65.9 77.5-116.1 10.4 -0.7 -12.5 11.4 50 273 A R + 0 0 90 38,-0.0 -13,-2.3 -13,-0.0 3,-0.3 -0.656 67.4 172.5-123.9 71.4 1.6 -9.9 13.0 51 274 A M + 0 0 77 -2,-0.4 -18,-0.2 -15,-0.2 -2,-0.1 -0.183 45.3 55.8 -75.5 169.8 1.9 -7.2 10.4 52 275 A G S S+ 0 0 4 1,-0.3 -19,-2.2 -16,-0.1 -16,-0.3 0.749 72.4 127.4 81.3 23.8 3.6 -3.8 10.7 53 276 A G - 0 0 1 -16,-0.3 -1,-0.3 -3,-0.3 -16,-0.2 -0.731 63.2 -88.9-108.5 163.3 7.1 -4.8 11.9 54 277 A P - 0 0 0 0, 0.0 -15,-2.2 0, 0.0 2,-0.5 -0.288 36.0-127.7 -70.0 157.0 10.5 -3.9 10.4 55 278 A K B +f 39 0D 3 -17,-0.2 118,-2.7 -14,-0.1 -15,-0.2 -0.907 34.2 157.4-113.3 127.6 12.2 -5.8 7.7 56 279 A M > - 0 0 0 -17,-2.5 3,-2.5 -2,-0.5 -15,-0.3 -0.985 53.7 -79.1-142.4 151.1 15.8 -7.1 7.8 57 280 A P T 3 >S- 0 0 5 0, 0.0 5,-0.6 0, 0.0 6,-0.1 -0.244 116.8 -3.2 -54.3 124.5 17.5 -10.0 5.9 58 281 A G T > 5S- 0 0 0 3,-0.2 3,-1.8 2,-0.1 2,-0.2 0.688 110.5-100.5 67.4 19.4 16.6 -13.3 7.6 59 282 A G T X 5S- 0 0 0 -3,-2.5 3,-1.6 -20,-0.3 4,-0.3 -0.512 100.3 -2.9 65.9-132.9 14.6 -11.5 10.3 60 283 A I T >>5S+ 0 0 0 30,-2.3 4,-1.5 -22,-0.4 3,-1.1 0.674 120.1 82.0 -68.4 -11.5 16.7 -11.3 13.5 61 284 A Y H <>5S+ 0 0 5 -3,-1.8 4,-2.9 29,-0.3 -1,-0.3 0.814 80.5 67.0 -62.1 -24.9 19.4 -13.3 11.8 62 285 A A H <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.3 6,-0.2 0.939 113.2 45.6 -71.3 -47.8 21.5 -8.8 13.7 64 287 A A H X>S+ 0 0 1 -4,-1.5 5,-2.6 2,-0.2 4,-0.8 0.930 115.1 49.0 -60.5 -44.8 23.4 -11.9 14.7 65 288 A H H ><5S+ 0 0 4 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.949 109.7 50.2 -61.5 -49.4 25.2 -12.0 11.3 66 289 A N H 3<5S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 116.2 43.3 -58.3 -33.7 26.2 -8.3 11.4 67 290 A R H 3<5S- 0 0 89 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.492 110.3-119.2 -90.6 -6.9 27.6 -8.9 14.9 68 291 A G T <<5 + 0 0 29 -3,-1.2 2,-0.6 -4,-0.8 -3,-0.2 0.778 57.7 157.0 71.7 25.5 29.3 -12.2 14.2 69 292 A V < + 0 0 38 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.769 7.0 161.2 -86.9 122.4 27.2 -13.9 16.8 70 293 A T + 0 0 21 -2,-0.6 52,-2.9 -3,-0.1 2,-0.2 0.446 36.3 95.9-124.0 -3.9 27.0 -17.6 15.9 71 294 A S S > S- 0 0 40 50,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.573 72.8-125.9 -92.8 156.2 25.9 -19.5 19.1 72 295 A I H > S+ 0 0 52 50,-0.2 4,-2.5 2,-0.2 5,-0.2 0.907 114.7 52.4 -62.6 -42.9 22.5 -20.6 20.1 73 296 A E H > S+ 0 0 162 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 110.4 48.3 -60.3 -41.1 22.8 -18.8 23.4 74 297 A G H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.840 109.4 53.1 -67.4 -34.1 23.8 -15.6 21.4 75 298 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.913 108.9 49.0 -67.2 -42.7 20.8 -16.1 19.1 76 299 A K H X S+ 0 0 74 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.888 107.9 54.7 -64.7 -37.5 18.4 -16.3 22.1 77 300 A Q H X S+ 0 0 144 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.922 109.3 47.5 -62.0 -41.6 20.0 -13.2 23.6 78 301 A I H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.867 106.9 57.6 -67.3 -35.8 19.3 -11.3 20.4 79 302 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.954 111.1 42.3 -57.5 -49.5 15.7 -12.6 20.3 80 303 A K H X S+ 0 0 127 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.846 111.3 55.9 -68.0 -32.2 15.1 -11.1 23.8 81 304 A E H >< S+ 0 0 32 -4,-2.0 3,-0.5 2,-0.2 4,-0.5 0.935 108.2 47.2 -64.1 -46.7 16.9 -7.9 22.8 82 305 A V H ><>S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 5,-1.2 0.931 109.8 53.8 -60.6 -42.5 14.6 -7.4 19.8 83 306 A A H ><5S+ 0 0 57 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.737 106.5 53.7 -63.1 -24.4 11.6 -8.1 22.0 84 307 A S T <<5S+ 0 0 90 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.506 102.6 59.9 -87.1 -7.0 12.8 -5.4 24.4 85 308 A K T < 5S- 0 0 77 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.1 -0.019 124.9 -82.3-115.4 30.4 13.0 -2.8 21.7 86 309 A G T < 5S+ 0 0 37 -3,-0.5 2,-0.3 1,-0.2 -50,-0.2 0.591 97.4 88.6 88.8 12.8 9.4 -2.6 20.4 87 310 A H S -hI 142 98E 8 4,-2.0 4,-0.9 47,-0.3 49,-0.2 -0.922 25.6-103.1-149.8 178.1 8.6 -21.7 3.8 95 318 A H T 4 S+ 0 0 127 47,-1.7 48,-0.1 -2,-0.3 4,-0.1 0.144 114.0 53.9 -96.0 23.7 6.5 -24.5 2.6 96 319 A S T 4 S+ 0 0 89 2,-0.2 -1,-0.2 46,-0.1 47,-0.1 0.650 129.1 9.9-115.9 -41.3 8.9 -25.5 -0.2 97 320 A S T >4 S- 0 0 61 1,-0.3 3,-2.1 0, 0.0 -2,-0.2 0.173 89.8-141.5-127.2 14.0 12.1 -26.0 1.8 98 321 A D B >< S-I 94 0E 106 -4,-0.9 -4,-2.0 1,-0.3 3,-1.8 -0.323 81.2 -5.6 54.0-131.7 10.9 -25.8 5.4 99 322 A M G > S+ 0 0 25 1,-0.3 3,-0.6 -6,-0.2 -1,-0.3 0.629 131.6 64.7 -73.2 -6.7 13.5 -23.9 7.5 100 323 A L G < S+ 0 0 80 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.291 77.2 96.4 -90.5 12.9 15.9 -23.7 4.6 101 324 A G G < + 0 0 4 -3,-1.8 2,-0.7 -7,-0.2 -1,-0.2 0.420 60.2 87.2 -79.0 -3.1 13.2 -21.5 3.0 102 325 A C <> - 0 0 1 -3,-0.6 4,-2.5 -10,-0.2 5,-0.2 -0.906 67.5-158.8 -98.3 111.8 14.9 -18.4 4.2 103 326 A G H > S+ 0 0 15 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.888 88.7 53.3 -57.8 -42.8 17.4 -17.5 1.5 104 327 A F H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 111.6 43.8 -60.0 -49.9 19.6 -15.4 3.7 105 328 A F H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.911 112.0 54.2 -65.1 -38.0 20.0 -18.1 6.4 106 329 A K H X S+ 0 0 105 -4,-2.5 4,-1.6 1,-0.2 6,-0.2 0.910 109.6 48.0 -60.7 -42.3 20.6 -20.7 3.6 107 330 A L H <>S+ 0 0 11 -4,-2.5 5,-2.5 -5,-0.2 6,-0.4 0.920 114.4 47.0 -63.1 -42.8 23.4 -18.6 2.2 108 331 A W H ><5S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.963 112.8 45.6 -65.1 -52.4 24.9 -18.1 5.7 109 332 A V H 3<5S+ 0 0 42 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.773 112.1 53.5 -65.8 -23.3 24.8 -21.7 6.8 110 333 A T T 3<5S- 0 0 79 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.362 118.2-109.7 -92.1 5.0 26.2 -22.9 3.4 111 334 A G T X 5S+ 0 0 9 -3,-1.7 3,-1.8 -4,-0.2 4,-0.3 0.602 72.9 138.0 82.3 14.0 29.2 -20.5 3.7 112 335 A R T 3 >S+ 0 0 2 -6,-0.4 3,-1.6 -5,-0.3 5,-1.6 0.296 77.6 109.2-104.2 7.3 29.4 -15.1 3.2 114 337 A D G X 5S+ 0 0 68 -3,-1.8 3,-1.4 1,-0.3 -2,-0.1 0.909 79.3 44.2 -48.2 -54.2 32.8 -16.7 4.0 115 338 A D G 3 5S+ 0 0 166 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.424 101.5 65.8 -77.7 0.3 34.9 -14.2 2.0 116 339 A M G < 5S- 0 0 70 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.272 122.8-104.8 -98.5 8.5 33.0 -11.2 3.2 117 340 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.2 0.497 71.5 143.7 87.4 7.1 34.5 -12.1 6.6 118 341 A Y < - 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0 0 9 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.191 53.2-110.8 -83.9 178.3 10.0 -15.4 19.2 138 361 A I E - h 0 90E 35 -49,-3.0 -47,-1.4 -2,-0.0 2,-0.6 -0.852 13.9-144.3-111.3 142.7 7.7 -16.2 16.3 139 362 A I E - h 0 91E 43 -2,-0.4 2,-0.3 -49,-0.2 -47,-0.2 -0.936 18.3-161.8-107.1 121.1 8.4 -18.5 13.4 140 363 A E E - h 0 92E 1 -49,-2.3 -47,-2.1 -2,-0.6 2,-0.4 -0.756 1.6-156.7 -97.6 149.4 6.9 -17.3 10.1 141 364 A M E - h 0 93E 28 -2,-0.3 -94,-2.0 -49,-0.2 -47,-0.3 -0.968 7.7-154.6-132.5 119.1 6.3 -19.6 7.1 142 365 A H E -Gh 46 94E 0 -49,-2.5 -47,-1.7 -2,-0.4 2,-0.3 -0.370 5.4-152.8 -84.7 164.6 6.1 -18.2 3.6 143 366 A H + 0 0 76 -98,-2.3 -98,-0.4 -49,-0.2 -47,-0.0 -0.925 47.9 17.8-135.1 162.1 4.4 -19.8 0.6 144 367 A G S S- 0 0 41 -2,-0.3 2,-0.2 -100,-0.1 -49,-0.1 -0.179 87.9 -49.9 78.2-171.3 4.8 -19.7 -3.1 145 368 A S - 0 0 91 20,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.673 52.9 -98.4-105.4 160.3 7.7 -18.6 -5.3 146 369 A H + 0 0 85 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.605 45.7 155.8 -76.4 127.9 10.0 -15.6 -5.3 147 370 A T + 0 0 76 -2,-0.4 21,-0.2 22,-0.0 -1,-0.1 0.023 14.9 162.6-140.4 25.9 9.0 -13.0 -7.9 148 371 A E - 0 0 21 1,-0.1 21,-0.3 21,-0.1 3,-0.1 -0.269 17.3-173.6 -56.1 131.3 10.5 -9.8 -6.4 149 372 A K + 0 0 135 19,-2.5 2,-0.3 1,-0.2 20,-0.2 0.418 63.5 4.9-104.9 -7.1 10.8 -7.0 -9.0 150 373 A V - 0 0 18 18,-0.2 20,-2.8 2,-0.0 2,-0.5 -0.974 64.1-120.5-168.8 163.5 12.7 -4.4 -7.0 151 374 A V E -bc 170 204A 3 52,-2.2 54,-2.6 -2,-0.3 2,-0.5 -0.989 21.8-159.7-118.5 122.7 14.4 -3.7 -3.7 152 375 A Y E -bc 171 205A 25 18,-2.9 20,-2.8 -2,-0.5 2,-0.7 -0.911 1.6-162.4-101.7 128.8 13.1 -0.9 -1.6 153 376 A I E -bc 172 206A 9 52,-2.7 54,-2.1 -2,-0.5 2,-0.6 -0.930 14.9-156.8-109.7 103.2 15.5 0.5 1.0 154 377 A N E +bc 173 207A 0 18,-2.6 21,-1.2 -2,-0.7 20,-1.0 -0.746 21.5 175.2 -87.7 123.7 13.3 2.4 3.4 155 378 A L + 0 0 39 52,-2.2 2,-0.9 -2,-0.6 -1,-0.1 0.321 44.0 114.2-106.8 6.4 15.0 5.1 5.5 156 379 A L S > S- 0 0 19 51,-0.2 3,-1.5 52,-0.1 19,-0.1 -0.687 70.7-124.1 -83.3 109.5 11.9 6.5 7.2 157 380 A A T 3 S+ 0 0 62 -2,-0.9 3,-0.1 1,-0.3 -2,-0.1 -0.191 86.9 7.4 -55.6 138.5 12.2 5.8 10.8 158 381 A N T 3 S+ 0 0 93 1,-0.2 -126,-2.5 -127,-0.1 2,-0.3 0.661 110.4 99.1 62.0 23.1 9.4 3.8 12.5 159 382 A K E < +D 31 0B 63 -3,-1.5 2,-0.3 -128,-0.3 -1,-0.2 -0.892 47.2 178.6-128.7 160.0 7.7 3.1 9.2 160 383 A T E -D 30 0B 0 -130,-2.4 -130,-2.5 -2,-0.3 2,-0.3 -0.919 24.5-122.3-151.2 176.9 7.8 0.1 6.9 161 384 A L - 0 0 0 -2,-0.3 -132,-0.1 -132,-0.2 -108,-0.1 -0.942 28.9-133.5-124.1 146.9 6.4 -1.4 3.7 162 385 A E - 0 0 33 -134,-0.5 -119,-0.0 -2,-0.3 -111,-0.0 -0.677 24.3 -93.3-105.5 157.2 4.5 -4.6 3.5 163 386 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 -119,-0.1 -0.291 25.8-166.1 -66.0 144.7 4.7 -7.7 1.2 164 387 A N > - 0 0 69 -121,-0.4 3,-1.8 5,-0.2 -119,-0.1 -0.863 2.5-166.7-129.7 96.5 2.5 -7.9 -1.9 165 388 A E T 3 S+ 0 0 92 -2,-0.4 3,-0.4 1,-0.3 -120,-0.1 0.702 87.9 52.7 -57.1 -19.3 2.7 -11.5 -3.1 166 389 A N T 3 S+ 0 0 140 1,-0.3 -1,-0.3 -122,-0.1 -122,-0.1 0.514 124.8 21.6 -96.6 -7.1 1.1 -10.5 -6.4 167 390 A D S < S- 0 0 79 -3,-1.8 -1,-0.3 -124,-0.2 -2,-0.1 -0.548 97.0-155.9-156.6 76.5 3.6 -7.7 -7.3 168 391 A Q + 0 0 8 -3,-0.4 -19,-2.5 -21,-0.2 2,-0.3 -0.147 21.5 168.7 -71.4 151.0 6.6 -8.6 -5.2 169 392 A R - 0 0 24 -21,-0.3 2,-0.4 -126,-0.2 -18,-0.2 -0.984 34.5-119.6-153.7 147.8 9.4 -6.5 -3.8 170 393 A F E -b 151 0A 8 -20,-2.8 -18,-2.9 -2,-0.3 2,-0.4 -0.756 32.0-158.8 -84.6 139.7 12.2 -7.0 -1.3 171 394 A I E -b 152 0A 6 -130,-1.3 2,-0.5 -2,-0.4 -18,-0.2 -0.989 11.9-176.9-125.5 126.3 11.9 -4.5 1.5 172 395 A V E -b 153 0A 6 -20,-2.8 -18,-2.6 -2,-0.4 2,-1.4 -0.985 17.8-150.6-123.2 119.6 14.8 -3.4 3.8 173 396 A D E >> -b 154 0A 0 -118,-2.7 3,-1.5 -2,-0.5 4,-0.5 -0.711 17.3-179.0 -90.1 90.4 14.2 -1.1 6.7 174 397 A G H >> S+ 0 0 2 -2,-1.4 3,-1.3 -20,-1.0 4,-1.0 0.834 76.3 63.6 -58.7 -34.4 17.7 0.5 6.7 175 398 A W H 3> S+ 0 0 21 -21,-1.2 4,-1.6 1,-0.3 -1,-0.3 0.764 93.2 63.8 -62.5 -24.8 16.7 2.7 9.7 176 399 A A H <> S+ 0 0 0 -3,-1.5 4,-1.4 2,-0.2 -1,-0.3 0.758 93.5 60.8 -72.2 -25.1 16.2 -0.4 11.8 177 400 A A H <<>S+ 0 0 0 -3,-1.3 5,-2.3 -4,-0.5 3,-0.5 0.939 105.8 47.3 -65.6 -45.7 20.0 -1.3 11.5 178 401 A D H ><5S+ 0 0 105 -4,-1.0 3,-1.9 1,-0.2 -2,-0.2 0.901 105.7 60.3 -60.7 -40.5 20.8 2.0 13.2 179 402 A K H 3<5S+ 0 0 79 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.2 43.4 -56.7 -36.2 18.2 1.2 15.8 180 403 A F T 3<5S- 0 0 4 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.207 115.1-113.5 -96.2 16.9 20.1 -1.9 16.8 181 404 A G T < 5 + 0 0 66 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.791 59.8 161.6 59.8 31.1 23.5 -0.3 16.7 182 405 A L < - 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