==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-03 1UT9 . COMPND 2 MOLECULE: CELLULOSE 1,4-BETA-CELLOBIOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR F.D.SCHUBOT,I.A.KATAEVA,J.CHANG,A.K.SHAH,L.G.LJUNGDAHL, . 605 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 37 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 1 0 1 0 1 1 0 1 0 1 1 0 2 1 2 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 9 5 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 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 1 208 A I 0 0 212 0, 0.0 3,-0.1 0, 0.0 519,-0.0 0.000 360.0 360.0 360.0 103.6 68.3 50.7 69.9 2 209 A L - 0 0 70 1,-0.1 518,-0.0 517,-0.1 517,-0.0 -0.434 360.0-105.9 -64.3 136.9 66.5 53.9 70.9 3 210 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 85,-0.0 -0.319 28.2-118.2 -63.1 148.8 64.3 53.5 74.0 4 211 A Q - 0 0 89 -3,-0.1 506,-0.1 4,-0.0 4,-0.1 -0.838 30.3-136.4 -88.1 111.3 60.5 53.4 73.4 5 212 A P - 0 0 0 0, 0.0 20,-0.2 0, 0.0 84,-0.2 -0.337 9.2-129.3 -64.5 147.1 59.0 56.3 75.3 6 213 A D S S+ 0 0 17 82,-3.0 19,-2.7 84,-0.4 2,-0.9 0.867 99.2 65.7 -63.7 -38.3 55.8 55.7 77.2 7 214 A V E S-Ab 24 91A 0 83,-2.5 2,-0.5 81,-0.4 85,-0.5 -0.796 80.2-156.3 -91.2 107.5 54.1 58.6 75.6 8 215 A R E +A 23 0A 9 15,-3.5 15,-1.7 -2,-0.9 2,-0.3 -0.755 23.9 161.0 -90.5 123.3 53.8 57.8 71.9 9 216 A V - 0 0 0 -2,-0.5 2,-0.6 496,-0.2 498,-0.2 -0.807 52.9 -76.7-131.5 168.3 53.5 60.8 69.6 10 217 A N - 0 0 1 -2,-0.3 495,-0.2 495,-0.2 491,-0.1 -0.645 46.3-145.1 -63.4 115.3 53.9 61.8 66.0 11 218 A Q S S+ 0 0 4 493,-2.5 507,-0.2 -2,-0.6 -1,-0.1 0.576 95.0 40.5 -74.9 -10.4 57.6 62.0 65.9 12 219 A V S S- 0 0 12 1,-0.3 83,-2.0 492,-0.2 2,-0.3 0.835 112.3-125.5 -92.8 -58.6 57.7 64.9 63.5 13 220 A G E -e 95 0B 0 81,-0.2 2,-0.3 83,-0.1 -1,-0.3 -0.995 20.3 -63.3 151.1-152.2 54.8 66.9 65.1 14 221 A Y E -e 96 0B 13 81,-2.3 83,-1.8 -2,-0.3 4,-0.1 -0.971 32.8-113.4-138.8 145.2 51.5 68.6 64.6 15 222 A L - 0 0 12 -2,-0.3 83,-0.2 81,-0.2 589,-0.0 -0.499 44.9-109.8 -67.0 150.0 49.9 71.5 62.7 16 223 A P S S+ 0 0 16 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.906 102.7 51.9 -52.8 -46.2 48.7 74.1 65.2 17 224 A E S S+ 0 0 144 54,-0.1 2,-0.2 587,-0.1 -2,-0.2 -0.765 89.2 51.9 -99.0 138.5 45.0 73.4 64.6 18 225 A G S S- 0 0 22 -2,-0.4 2,-0.2 50,-0.4 473,-0.1 -0.579 88.9 -36.1 128.0 170.1 43.5 69.9 64.8 19 226 A K - 0 0 59 -2,-0.2 2,-0.4 50,-0.1 -2,-0.0 -0.400 48.2-175.9 -67.0 128.1 43.2 66.7 66.9 20 227 A K + 0 0 1 -2,-0.2 47,-2.5 -6,-0.1 2,-0.4 -0.923 12.5 161.1-129.6 103.2 46.3 65.9 68.8 21 228 A V E - C 0 66A 4 -2,-0.4 2,-0.3 45,-0.2 45,-0.2 -0.975 18.0-163.5-129.0 120.5 46.1 62.6 70.7 22 229 A A E - C 0 65A 0 43,-2.5 43,-2.5 -2,-0.4 2,-0.5 -0.684 17.3-132.1 -92.5 150.9 49.1 60.6 72.1 23 230 A T E -AC 8 64A 0 -15,-1.7 -15,-3.5 -2,-0.3 2,-0.6 -0.928 19.8-157.6-102.7 126.0 48.9 57.0 73.2 24 231 A V E -AC 7 63A 0 39,-2.8 39,-2.1 -2,-0.5 2,-0.8 -0.905 11.2-144.9-107.1 117.3 50.6 56.3 76.5 25 232 A V E + C 0 62A 31 -19,-2.7 2,-0.3 -2,-0.6 37,-0.2 -0.748 45.4 147.1 -76.8 111.2 51.8 52.8 77.4 26 233 A C - 0 0 10 35,-2.2 -2,-0.1 -2,-0.8 6,-0.0 -0.935 47.6-151.9-156.4 125.8 51.0 52.8 81.1 27 234 A N + 0 0 143 -2,-0.3 35,-0.1 2,-0.0 -1,-0.1 0.613 62.2 114.8 -73.3 -16.9 49.9 50.0 83.6 28 235 A S - 0 0 39 1,-0.2 -2,-0.1 33,-0.1 4,-0.1 -0.328 54.2-157.0 -59.5 132.6 48.0 52.4 85.9 29 236 A T S S+ 0 0 87 2,-0.1 -1,-0.2 22,-0.1 3,-0.1 0.700 78.2 64.1 -79.7 -21.9 44.3 51.8 86.0 30 237 A Q S S- 0 0 131 1,-0.1 19,-0.1 20,-0.1 20,-0.1 -0.645 101.9 -86.1 -98.5 159.1 43.8 55.3 87.2 31 238 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.282 43.5-150.1 -56.6 146.7 44.5 58.6 85.3 32 239 A V - 0 0 11 -4,-0.1 17,-2.1 -3,-0.1 2,-0.1 -0.935 19.5-103.4-123.3 149.2 48.1 59.9 85.7 33 240 A K E -G 48 0C 64 -2,-0.3 50,-0.4 15,-0.2 2,-0.3 -0.393 37.1-169.0 -67.1 141.1 49.4 63.4 85.6 34 241 A W E -G 47 0C 11 13,-2.6 13,-1.9 47,-0.2 2,-0.4 -0.979 7.3-160.1-131.0 151.1 51.1 64.6 82.4 35 242 A Q E -GH 46 80C 27 45,-2.3 45,-2.2 -2,-0.3 2,-0.6 -0.993 9.6-149.9-128.5 133.9 53.1 67.7 81.6 36 243 A L E -GH 45 79C 0 9,-3.3 8,-2.8 -2,-0.4 9,-1.2 -0.935 25.3-172.8 -97.5 121.1 53.9 69.3 78.2 37 244 A K E -GH 43 78C 32 41,-2.7 41,-2.2 -2,-0.6 6,-0.2 -0.854 18.4-128.8-113.3 148.4 57.3 71.0 78.4 38 245 A N > - 0 0 45 4,-2.2 3,-2.5 -2,-0.3 38,-0.1 -0.312 46.2 -85.3 -80.8 176.7 59.0 73.2 75.8 39 246 A A T 3 S+ 0 0 71 36,-0.6 37,-0.1 1,-0.3 38,-0.1 0.771 129.4 59.2 -58.5 -25.6 62.6 72.6 74.8 40 247 A A T 3 S- 0 0 86 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.389 119.1-108.6 -84.2 4.0 63.8 74.7 77.8 41 248 A G S < S+ 0 0 28 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.537 72.3 141.8 83.1 6.7 62.1 72.3 80.2 42 249 A V - 0 0 82 1,-0.1 -4,-2.2 2,-0.0 2,-0.5 -0.691 56.2-118.9 -85.1 130.8 59.4 74.8 81.2 43 250 A V E +G 37 0C 56 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.566 36.5 170.3 -70.1 118.3 55.9 73.4 81.7 44 251 A V E + 0 0 58 -8,-2.8 2,-0.3 -2,-0.5 -7,-0.2 0.499 66.3 6.8-104.1 -9.1 53.5 74.9 79.1 45 252 A L E -G 36 0C 57 -9,-1.2 -9,-3.3 25,-0.0 -1,-0.3 -0.941 61.5-173.2-168.8 146.3 50.5 72.7 79.7 46 253 A E E +G 35 0C 112 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.962 16.4 134.8-144.8 163.7 49.3 69.9 82.0 47 254 A G E -G 34 0C 18 -13,-1.9 -13,-2.6 -2,-0.3 2,-0.3 -0.919 45.7 -82.5-174.4-162.9 46.5 67.5 82.5 48 255 A Y E -G 33 0C 157 -2,-0.3 18,-0.3 -15,-0.2 -15,-0.2 -0.942 38.7-114.0-127.0 152.0 45.6 63.9 83.3 49 256 A T - 0 0 5 -17,-2.1 16,-0.2 -2,-0.3 -15,-0.0 -0.252 21.2-122.1 -78.4 169.5 45.5 60.8 81.0 50 257 A E E -D 64 0A 78 14,-2.5 14,-2.2 -19,-0.1 2,-0.1 -0.928 27.3-132.5-114.2 104.6 42.4 58.9 80.0 51 258 A P E +D 63 0A 49 0, 0.0 2,-0.3 0, 0.0 12,-0.3 -0.368 29.2 175.0 -58.0 124.1 42.8 55.2 80.9 52 259 A K E - 0 0 74 10,-2.3 3,-0.1 1,-0.2 398,-0.0 -0.745 27.8-125.4-111.9 171.6 41.8 52.9 78.1 53 260 A G E - 0 0 34 -2,-0.3 9,-2.3 1,-0.2 2,-0.6 0.250 54.4 -24.6 -97.0-140.9 42.4 49.3 78.8 54 261 A L E -D 61 0A 107 7,-0.2 2,-0.5 5,-0.1 7,-0.3 -0.650 65.4-136.5 -72.5 114.8 44.3 46.4 77.2 55 262 A D E >>> -D 60 0A 11 5,-3.2 4,-2.7 -2,-0.6 3,-0.6 -0.676 7.8-146.0 -79.6 122.6 44.5 47.3 73.5 56 263 A K T 345S+ 0 0 141 -2,-0.5 -1,-0.1 1,-0.2 393,-0.1 0.868 90.9 47.0 -59.0 -45.1 43.8 44.2 71.5 57 264 A D T 345S+ 0 0 6 1,-0.2 513,-2.1 511,-0.1 514,-0.4 0.730 128.1 24.9 -74.1 -22.3 46.1 44.8 68.5 58 265 A S T <45S- 0 0 0 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.604 89.7-135.6-113.4 -20.3 49.2 45.6 70.5 59 266 A Q T <5 + 0 0 103 -4,-2.7 2,-0.4 1,-0.3 -3,-0.2 0.762 61.3 135.8 54.1 30.4 48.5 43.9 73.9 60 267 A D E < - D 0 55A 18 -5,-0.5 -5,-3.2 -7,-0.0 2,-0.7 -0.850 60.4-128.1 -98.9 141.8 49.6 47.2 75.5 61 268 A Y E - D 0 54A 67 -2,-0.4 -35,-2.2 -7,-0.3 2,-0.3 -0.824 46.2-177.4 -84.8 118.1 47.7 48.6 78.4 62 269 A V E -C 25 0A 0 -9,-2.3 -10,-2.3 -2,-0.7 2,-0.3 -0.848 30.5-162.4-128.4 157.0 47.2 52.2 77.2 63 270 A H E -CD 24 51A 0 -39,-2.1 -39,-2.8 -2,-0.3 2,-0.4 -0.841 26.3-122.7-118.4 163.0 45.8 55.6 78.1 64 271 A W E -CD 23 50A 12 -14,-2.2 -14,-2.5 -2,-0.3 2,-0.5 -0.844 13.3-157.3-104.0 147.6 45.0 58.5 75.7 65 272 A L E -C 22 0A 0 -43,-2.5 -43,-2.5 -2,-0.4 2,-0.6 -0.915 11.4-165.8-125.6 102.0 46.6 61.9 76.1 66 273 A D E +C 21 0A 65 -2,-0.5 -45,-0.2 -18,-0.3 -18,-0.1 -0.805 27.9 150.8 -95.4 116.6 44.5 64.6 74.5 67 274 A F > + 0 0 6 -47,-2.5 3,-1.7 -2,-0.6 -46,-0.1 -0.067 24.7 133.8-128.7 33.4 46.1 68.0 73.9 68 275 A S T 3 + 0 0 22 -48,-0.4 -50,-0.4 1,-0.3 -47,-0.1 0.791 67.5 57.9 -54.9 -36.8 44.1 69.0 70.8 69 276 A D T 3 S+ 0 0 166 -49,-0.1 2,-0.4 -52,-0.1 -1,-0.3 0.666 82.4 97.6 -72.4 -19.2 43.4 72.5 72.1 70 277 A F < + 0 0 21 -3,-1.7 -3,-0.1 1,-0.1 -25,-0.0 -0.619 39.7 158.4 -74.9 126.6 47.1 73.3 72.4 71 278 A A + 0 0 30 -2,-0.4 2,-0.6 2,-0.1 -1,-0.1 0.209 18.1 133.7-136.0 12.6 48.1 75.3 69.3 72 279 A T - 0 0 83 -56,-0.1 24,-0.1 1,-0.1 -2,-0.0 -0.581 55.0-126.7 -78.3 117.6 51.3 77.2 70.3 73 280 A E + 0 0 99 -2,-0.6 2,-0.3 22,-0.1 24,-0.2 -0.296 48.6 136.7 -62.8 140.4 54.0 76.8 67.6 74 281 A G E -F 96 0B 22 22,-2.1 22,-2.5 -36,-0.0 2,-0.4 -0.964 46.4-113.9-177.3 164.3 57.4 75.6 69.0 75 282 A I E S+ 0 0 111 -2,-0.3 -36,-0.6 20,-0.2 20,-0.2 -0.935 87.6 11.6-117.0 132.7 60.3 73.3 68.4 76 283 A G E S+ 0 0 16 -2,-0.4 19,-0.2 1,-0.2 -1,-0.2 0.753 71.7 170.3 77.6 27.2 61.2 70.4 70.6 77 284 A Y E -F 94 0B 12 17,-1.9 17,-2.2 -3,-0.2 2,-0.3 -0.307 8.7-178.6 -56.4 151.4 58.2 70.0 72.8 78 285 A Y E -H 37 0C 53 -41,-2.2 -41,-2.7 15,-0.2 2,-0.2 -0.967 21.2-128.7-155.4 146.6 58.1 66.8 75.0 79 286 A F E -H 36 0C 0 13,-0.3 12,-1.5 -2,-0.3 2,-0.3 -0.624 18.5-168.3 -88.9 150.7 55.8 65.2 77.5 80 287 A E E -HI 35 90C 55 -45,-2.2 -45,-2.3 -2,-0.2 10,-0.3 -0.992 17.8-151.3-132.5 145.6 56.8 63.9 80.9 81 288 A L > - 0 0 0 8,-2.7 3,-1.3 -2,-0.3 -47,-0.2 -0.833 18.3-172.2-110.5 87.4 54.8 61.7 83.3 82 289 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 0.737 79.7 40.2 -57.4 -30.4 56.2 63.0 86.6 83 290 A T T 3 S+ 0 0 101 -50,-0.4 2,-0.3 -3,-0.1 -49,-0.1 0.530 88.8 108.4 -97.0 -6.5 54.5 60.4 88.8 84 291 A V < - 0 0 25 -3,-1.3 2,-1.4 -51,-0.2 5,-0.2 -0.553 65.7-136.8 -79.7 132.2 55.0 57.3 86.6 85 292 A N + 0 0 168 -2,-0.3 -1,-0.1 3,-0.1 -2,-0.1 -0.629 62.6 101.5 -89.4 82.6 57.5 54.8 87.8 86 293 A S S > S- 0 0 34 -2,-1.4 3,-0.8 1,-0.0 -2,-0.0 -0.983 74.5-122.3-157.4 156.8 59.4 53.9 84.6 87 294 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.560 112.8 49.4 -77.0 -7.7 62.7 54.7 82.9 88 295 A T T 3 + 0 0 25 1,-0.1 -82,-3.0 -83,-0.0 2,-2.1 -0.167 65.5 143.4-124.7 39.4 60.7 55.9 79.8 89 296 A N < + 0 0 42 -3,-0.8 -8,-2.7 -84,-0.2 2,-0.2 -0.263 58.7 56.9 -82.5 54.9 58.2 58.3 81.4 90 297 A Y B S-I 80 0C 69 -2,-2.1 -83,-2.5 -10,-0.3 -84,-0.4 -0.853 77.1-109.6-158.6-178.3 58.3 60.8 78.6 91 298 A S B -b 7 0A 3 -12,-1.5 -83,-0.1 -2,-0.2 3,-0.1 -0.823 38.9 -94.6-117.7 165.0 57.7 61.3 74.9 92 299 A H - 0 0 13 -85,-0.5 -13,-0.3 -2,-0.3 2,-0.1 -0.408 56.5 -89.9 -62.5 156.3 60.2 61.9 72.1 93 300 A P + 0 0 63 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.436 54.0 175.3 -67.8 145.8 60.5 65.6 71.2 94 301 A F E - F 0 77B 1 -17,-2.2 -17,-1.9 -2,-0.1 2,-0.3 -0.937 21.2-121.5-146.5 168.0 58.2 67.0 68.5 95 302 A D E -e 13 0B 27 -83,-2.0 -81,-2.3 -2,-0.3 2,-0.5 -0.820 0.2-150.3-113.9 152.3 57.2 70.3 66.9 96 303 A I E +eF 14 74B 0 -22,-2.5 -22,-2.1 -2,-0.3 2,-0.3 -0.971 49.5 125.1-114.9 111.4 54.1 72.3 66.5 97 304 A R > - 0 0 54 -83,-1.8 3,-0.8 -2,-0.5 -2,-0.1 -0.984 67.1-113.7-162.8 161.0 54.4 74.2 63.2 98 305 A K T 3 S+ 0 0 126 -2,-0.3 3,-0.3 1,-0.2 -83,-0.1 0.621 106.7 58.8 -77.1 -14.9 52.6 74.8 59.9 99 306 A D T >> + 0 0 82 1,-0.2 3,-0.7 2,-0.1 4,-0.5 0.025 59.3 122.2-110.5 28.4 55.3 73.1 57.8 100 307 A I T <4 S+ 0 0 4 -3,-0.8 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4,-2.3 1,-0.3 -1,-0.2 0.727 82.7 76.8 -66.9 -22.5 60.6 62.0 44.5 111 318 A F H 3X S+ 0 0 1 -4,-0.9 4,-1.6 -3,-0.5 -1,-0.3 0.901 91.9 53.3 -47.6 -44.8 60.4 58.3 45.1 112 319 A F H <4 S+ 0 0 0 -3,-1.1 4,-0.2 -4,-0.3 -1,-0.2 0.886 106.3 50.5 -67.4 -38.2 59.0 57.9 41.6 113 320 A Y H >< S+ 0 0 2 -4,-0.7 3,-1.8 1,-0.2 -1,-0.2 0.957 111.1 49.3 -59.9 -49.3 61.9 59.8 40.0 114 321 A H H 3< S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.811 110.9 51.6 -57.2 -32.3 64.4 57.5 41.9 115 322 A K T 3< S+ 0 0 14 -4,-1.6 60,-3.4 -5,-0.2 -1,-0.3 0.353 81.5 128.4 -90.2 3.4 62.4 54.5 40.7 116 323 A R B < -J 174 0D 0 -3,-1.8 3,-0.3 -4,-0.2 20,-0.3 -0.403 44.7-154.6 -65.4 131.0 62.5 55.5 37.0 117 324 A S S S+ 0 0 0 56,-3.3 56,-0.1 1,-0.2 20,-0.1 -0.674 73.3 36.0 -91.1 157.0 63.7 52.8 34.6 118 325 A G S S+ 0 0 24 18,-2.1 -1,-0.2 -2,-0.3 17,-0.1 0.543 104.4 74.1 84.7 8.1 65.2 53.8 31.3 119 326 A I S S- 0 0 32 -3,-0.3 17,-0.4 15,-0.1 -1,-0.1 -0.992 81.9-106.1-153.7 141.3 67.0 56.9 32.4 120 327 A P - 0 0 52 0, 0.0 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47.9 -61.8 -49.1 45.5 50.7 31.2 294 501 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.909 113.6 48.3 -62.1 -42.4 42.1 51.7 29.9 295 502 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.947 116.3 40.2 -64.0 -50.0 41.3 53.5 33.2 296 503 A T H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.826 113.8 50.9 -76.1 -34.0 44.5 55.5 33.5 297 504 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.848 110.2 52.4 -70.0 -30.0 45.0 56.4 29.9 298 505 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 -5,-0.3 -2,-0.2 0.906 113.2 43.3 -69.1 -41.0 41.4 57.7 29.9 299 506 A Q H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.918 113.4 52.2 -65.8 -47.5 42.2 59.8 33.0 300 507 A S H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.918 105.7 56.7 -53.4 -44.7 45.5 60.8 31.4 301 508 A A H X S+ 0 0 6 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.878 108.3 43.7 -62.0 -42.3 43.6 61.9 28.2 302 509 A R H < S+ 0 0 29 -4,-1.5 -1,-0.2 1,-0.2 4,-0.2 0.851 115.5 49.2 -73.3 -31.0 41.3 64.4 29.9 303 510 A L H < S+ 0 0 5 -4,-1.9 4,-0.3 1,-0.2 3,-0.2 0.776 118.0 37.9 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