==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 18-JUL-11 3SZ2 . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR K.BETZ,A.MARX,K.DIEDERICHS . 530 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 25 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 0 2 3 2 2 1 0 0 2 0 1 1 2 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 293 A A 0 0 36 0, 0.0 38,-0.2 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 84.0 45.4 -56.3 -18.3 2 294 A L + 0 0 153 36,-1.1 2,-0.3 1,-0.2 37,-0.2 0.490 360.0 77.0-129.8 -53.5 48.1 -58.8 -17.3 3 295 A E E S-a 39 0A 118 35,-1.3 37,-2.0 1,-0.1 2,-0.7 -0.497 77.9-136.0 -68.5 121.6 50.2 -59.3 -20.3 4 296 A E E -a 40 0A 150 -2,-0.3 37,-0.2 35,-0.2 -1,-0.1 -0.721 25.7-175.9 -87.3 113.2 52.6 -56.4 -20.8 5 297 A A E -a 41 0A 20 35,-1.8 37,-0.5 -2,-0.7 34,-0.0 -0.819 30.7-100.1-107.8 148.0 52.7 -55.3 -24.5 6 298 A P - 0 0 112 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.269 61.2 -59.9 -63.3 150.4 54.9 -52.6 -25.9 7 299 A W S S+ 0 0 38 35,-0.5 26,-0.0 2,-0.0 35,-0.0 -0.401 99.8 56.8 -64.1 148.5 53.4 -49.1 -26.6 8 300 A P - 0 0 73 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.601 68.0-146.3 -93.6 174.9 51.3 -48.2 -28.3 9 301 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.363 27.8 -94.8 -85.4 171.5 47.9 -49.8 -27.7 10 302 A P > - 0 0 59 0, 0.0 3,-0.9 0, 0.0 25,-0.0 -0.356 57.2 -75.1 -77.1 167.2 45.1 -50.7 -30.2 11 303 A E T 3 S+ 0 0 142 1,-0.2 42,-0.1 -2,-0.1 0, 0.0 -0.263 116.4 31.3 -60.8 150.1 42.2 -48.3 -30.8 12 304 A G T 3 S+ 0 0 28 1,-0.2 -1,-0.2 43,-0.1 2,-0.1 0.627 83.5 149.5 78.6 14.2 39.5 -48.1 -28.2 13 305 A A < - 0 0 11 -3,-0.9 2,-0.4 23,-0.1 44,-0.4 -0.438 51.0-112.6 -76.9 153.7 41.9 -48.9 -25.3 14 306 A F E -B 35 0A 14 21,-2.9 21,-2.6 -2,-0.1 2,-0.3 -0.749 34.3-140.2 -87.2 132.9 41.3 -47.6 -21.8 15 307 A V E -B 34 0A 3 42,-3.6 2,-0.4 -2,-0.4 44,-0.3 -0.696 16.6-170.1-100.6 145.0 43.8 -45.0 -20.7 16 308 A G E +B 33 0A 1 17,-2.7 17,-3.0 -2,-0.3 2,-0.3 -0.977 15.5 168.3-126.4 145.3 45.5 -44.5 -17.3 17 309 A F E -B 32 0A 6 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.993 25.9-140.6-156.5 156.5 47.6 -41.6 -16.4 18 310 A V E -B 31 0A 11 13,-1.6 12,-1.9 -2,-0.3 13,-1.2 -0.985 14.6-160.2-126.9 125.1 49.3 -39.8 -13.5 19 311 A L E -B 29 0A 29 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.803 23.9-133.2-103.9 145.8 49.5 -36.0 -13.1 20 312 A S S S+ 0 0 63 8,-2.0 2,-0.3 -2,-0.3 -1,-0.1 0.755 95.0 9.4 -65.5 -24.7 52.0 -34.1 -10.8 21 313 A R S S- 0 0 111 7,-0.2 -1,-0.1 2,-0.1 6,-0.1 -0.968 82.1-106.3-152.3 165.3 49.0 -32.1 -9.6 22 314 A K S S+ 0 0 125 -2,-0.3 5,-0.1 4,-0.1 -1,-0.0 0.797 94.6 84.2 -68.5 -31.1 45.2 -32.1 -9.8 23 315 A E >> - 0 0 27 1,-0.2 3,-2.1 3,-0.1 4,-0.9 -0.633 66.1-156.9 -81.0 109.7 44.9 -29.2 -12.2 24 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.747 91.5 56.5 -59.5 -27.2 45.4 -30.5 -15.8 25 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.1 -3,-0.0 0.623 118.4 33.7 -77.8 -13.4 46.4 -27.1 -17.1 26 318 A W T <4 S+ 0 0 78 -3,-2.1 2,-0.2 -5,-0.1 -1,-0.2 0.365 98.6 109.9-117.6 0.2 49.2 -26.9 -14.6 27 319 A A < - 0 0 2 -4,-0.9 2,-0.5 -3,-0.2 -5,-0.0 -0.525 60.9-137.1 -89.3 143.9 50.1 -30.6 -14.4 28 320 A D - 0 0 76 -2,-0.2 -8,-2.0 1,-0.0 2,-1.2 -0.839 28.5-124.2 -84.8 131.0 53.2 -32.4 -15.6 29 321 A L E +B 19 0A 3 -2,-0.5 18,-0.2 -10,-0.2 -10,-0.2 -0.676 35.5 176.9 -78.9 97.8 52.2 -35.7 -17.3 30 322 A L E - 0 0 97 -12,-1.9 2,-0.3 -2,-1.2 -1,-0.2 0.897 59.7 -0.7 -72.3 -42.4 54.2 -38.1 -15.2 31 323 A A E -B 18 0A 32 -13,-1.2 -13,-1.6 14,-0.1 2,-0.3 -0.979 55.4-163.9-150.2 159.1 53.0 -41.4 -16.7 32 324 A L E +B 17 0A 2 11,-0.4 11,-2.8 -2,-0.3 2,-0.3 -0.990 17.5 155.8-149.4 134.6 50.7 -42.8 -19.4 33 325 A A E -BC 16 42A 0 -17,-3.0 -17,-2.7 -2,-0.3 2,-0.3 -0.928 18.5-153.6-150.6 172.6 49.3 -46.2 -20.0 34 326 A A E -BC 15 41A 1 7,-2.4 7,-3.4 -19,-0.3 2,-0.4 -0.991 3.5-153.3-153.5 156.0 46.4 -48.1 -21.6 35 327 A A E +BC 14 40A 0 -21,-2.6 -21,-2.9 -2,-0.3 2,-0.3 -0.996 24.7 139.5-139.6 135.1 44.5 -51.4 -21.3 36 328 A R E > + C 0 39A 122 3,-1.3 3,-0.8 -2,-0.4 -23,-0.1 -0.873 63.8 10.4-170.8 140.4 42.5 -53.6 -23.7 37 329 A G T 3 S- 0 0 62 -2,-0.3 3,-0.1 1,-0.3 -24,-0.0 0.882 128.5 -52.1 58.3 44.9 42.0 -57.3 -24.4 38 330 A G T 3 S+ 0 0 40 1,-0.3 -35,-1.3 -37,-0.1 -36,-1.1 0.751 116.7 111.4 65.1 24.2 43.9 -58.6 -21.4 39 331 A R E < -aC 3 36A 108 -3,-0.8 -3,-1.3 -38,-0.2 2,-0.4 -0.864 52.4-154.1-124.0 161.5 46.9 -56.4 -22.2 40 332 A V E -aC 4 35A 8 -37,-2.0 -35,-1.8 -2,-0.3 2,-0.5 -0.993 7.3-162.9-137.3 128.2 48.5 -53.4 -20.6 41 333 A H E -aC 5 34A 6 -7,-3.4 -7,-2.4 -2,-0.4 2,-0.5 -0.947 1.2-162.8-116.1 129.7 50.6 -50.8 -22.4 42 334 A R E - C 0 33A 98 -37,-0.5 -35,-0.5 -2,-0.5 -9,-0.2 -0.945 21.8-126.0-115.4 120.4 53.0 -48.4 -20.7 43 335 A A - 0 0 15 -11,-2.8 -11,-0.4 -2,-0.5 4,-0.1 -0.430 8.4-150.8 -65.3 125.9 54.2 -45.3 -22.5 44 336 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 0.949 93.8 17.3 -59.6 -50.4 58.0 -45.0 -22.6 45 337 A E S > S- 0 0 86 1,-0.1 4,-2.4 -3,-0.0 5,-0.2 -0.958 79.2-151.3-127.0 112.7 57.8 -41.2 -22.7 46 338 A P H > S+ 0 0 18 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.841 89.3 48.2 -53.5 -50.4 54.3 -39.9 -21.8 47 339 A Y H 4 S+ 0 0 55 -18,-0.2 4,-0.4 1,-0.2 3,-0.3 0.913 115.8 43.8 -63.1 -45.1 54.1 -36.6 -23.8 48 340 A K H >4 S+ 0 0 157 1,-0.2 3,-1.7 -3,-0.2 4,-0.3 0.919 111.4 54.9 -62.3 -44.4 55.3 -38.3 -27.0 49 341 A A H >< S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.3 4,-0.5 0.750 91.8 73.6 -62.0 -25.4 53.0 -41.2 -26.4 50 342 A L G >< S+ 0 0 2 -4,-1.3 3,-0.6 -3,-0.3 -1,-0.3 0.736 87.0 63.9 -63.2 -22.0 50.0 -38.9 -26.1 51 343 A R G < S+ 0 0 125 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.718 92.7 63.3 -72.6 -21.6 50.1 -38.4 -29.9 52 344 A D G < S+ 0 0 83 -3,-1.7 -1,-0.2 -4,-0.3 2,-0.2 0.679 85.0 88.3 -81.0 -19.6 49.3 -42.0 -30.5 53 345 A L < - 0 0 26 -3,-0.6 3,-0.1 -4,-0.5 -42,-0.1 -0.543 52.6-167.6 -83.3 147.4 45.8 -41.9 -28.9 54 346 A K S S+ 0 0 150 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.491 77.3 12.9-105.4 -10.2 42.7 -41.0 -30.8 55 347 A E S S- 0 0 85 20,-0.2 2,-0.9 -42,-0.1 -1,-0.3 -0.902 71.9-120.5-170.2 132.3 40.4 -40.6 -27.8 56 348 A A B +d 77 0B 0 20,-2.4 22,-3.2 -2,-0.3 2,-0.5 -0.707 39.7 176.4 -84.0 106.1 40.8 -40.3 -24.0 57 349 A R + 0 0 46 -2,-0.9 -42,-3.6 -44,-0.4 2,-0.3 -0.942 35.9 39.2-119.4 116.6 38.8 -43.2 -22.7 58 350 A G S > S- 0 0 0 21,-2.5 3,-1.4 -2,-0.5 24,-0.1 -0.924 93.8 -7.5 145.2-170.5 38.8 -44.0 -18.9 59 351 A L T 3 S+ 0 0 3 54,-0.3 58,-0.1 -44,-0.3 21,-0.1 -0.344 129.3 3.3 -59.6 132.9 38.6 -42.4 -15.5 60 352 A L T 3> S+ 0 0 45 3,-0.1 4,-1.3 1,-0.1 3,-0.5 0.821 80.0 163.1 60.1 34.3 39.0 -38.6 -15.5 61 353 A A H X> + 0 0 1 -3,-1.4 4,-1.9 1,-0.2 3,-0.5 0.891 67.8 56.8 -48.9 -49.3 39.0 -38.6 -19.3 62 354 A K H 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 101.4 55.8 -52.9 -45.9 38.3 -34.9 -19.6 63 355 A D H 3> S+ 0 0 11 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.881 108.6 48.0 -57.2 -38.6 41.3 -33.9 -17.4 64 356 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.9 0.929 111.0 50.5 -58.8 -45.4 46.3 -32.8 -24.5 69 361 A L H ><5S+ 0 0 39 -4,-3.5 3,-1.5 1,-0.3 -1,-0.2 0.861 103.9 59.9 -59.7 -35.5 44.5 -29.6 -25.7 70 362 A R H 3<5S+ 0 0 28 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.816 105.9 48.0 -61.2 -30.0 47.1 -27.7 -23.7 71 363 A E T <<5S- 0 0 38 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.304 124.8-100.6 -96.6 8.1 49.8 -29.3 -25.9 72 364 A G T < 5S+ 0 0 71 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.648 80.5 133.7 83.5 16.0 48.0 -28.5 -29.2 73 365 A L < - 0 0 32 -5,-2.6 2,-1.1 -6,-0.2 -1,-0.3 -0.823 55.1-137.6-102.2 138.6 46.6 -32.1 -29.5 74 366 A G + 0 0 73 -2,-0.4 -9,-0.0 -3,-0.1 -5,-0.0 -0.749 43.2 150.0 -93.2 90.7 43.0 -32.8 -30.4 75 367 A L - 0 0 5 -2,-1.1 -6,-0.2 -10,-0.3 -20,-0.2 -0.791 29.7-158.2-126.6 86.9 42.3 -35.7 -28.1 76 368 A P - 0 0 65 0, 0.0 -20,-2.4 0, 0.0 2,-0.3 -0.283 21.3-110.7 -68.3 149.0 38.5 -35.7 -27.2 77 369 A P B +d 56 0B 10 0, 0.0 -20,-0.2 0, 0.0 70,-0.2 -0.610 40.3 174.3 -79.5 138.6 37.3 -37.4 -24.0 78 370 A G + 0 0 3 -22,-3.2 -16,-0.1 1,-0.4 -17,-0.1 0.002 49.4 0.5-113.4-138.8 35.2 -40.5 -24.5 79 371 A D - 0 0 16 -2,-0.1 -21,-2.5 -22,-0.1 -1,-0.4 -0.228 60.2-177.7 -51.6 135.3 33.7 -43.1 -22.0 80 372 A D >> - 0 0 13 -23,-0.2 3,-1.5 -3,-0.1 4,-1.1 -0.935 23.9-149.9-139.7 115.5 34.5 -42.2 -18.4 81 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.776 95.7 68.0 -56.0 -27.7 33.3 -44.6 -15.6 82 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.873 99.6 49.8 -58.9 -38.0 33.0 -41.6 -13.2 83 375 A L H <> S+ 0 0 2 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.859 110.7 49.1 -69.0 -37.7 30.1 -40.3 -15.3 84 376 A L H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.929 114.7 44.3 -65.2 -46.5 28.4 -43.7 -15.3 85 377 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 7,-0.3 0.860 110.9 55.0 -67.1 -35.7 28.8 -44.0 -11.5 86 378 A Y H < S+ 0 0 2 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.842 108.2 48.5 -67.9 -35.0 27.7 -40.4 -11.0 87 379 A L H < S+ 0 0 1 -4,-1.6 339,-0.5 1,-0.2 -1,-0.2 0.851 110.3 51.7 -71.6 -36.4 24.5 -41.0 -12.9 88 380 A L H < S- 0 0 20 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.908 138.7 -8.6 -64.4 -40.5 23.8 -44.1 -10.8 89 381 A D >< - 0 0 19 -4,-2.1 3,-2.7 -5,-0.1 -1,-0.3 -0.807 61.2-146.8-162.7 110.5 24.3 -42.2 -7.6 90 382 A P T 3 S+ 0 0 6 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.522 94.3 76.7 -68.1 -1.6 25.6 -38.6 -7.5 91 383 A S T 3 S+ 0 0 79 -6,-0.1 2,-1.6 1,-0.1 3,-0.2 0.554 72.0 94.8 -77.7 -8.2 27.4 -39.3 -4.2 92 384 A N < + 0 0 8 -3,-2.7 -1,-0.1 -7,-0.3 -3,-0.1 -0.664 46.3 137.0 -78.0 86.2 29.9 -41.0 -6.5 93 385 A T + 0 0 58 -2,-1.6 -1,-0.2 183,-0.1 182,-0.2 0.544 50.7 53.1-112.7 -12.2 32.2 -38.0 -6.8 94 386 A T > - 0 0 53 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.926 68.9-131.4-130.9 151.7 35.7 -39.4 -6.5 95 387 A P H > S+ 0 0 18 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.851 108.8 59.2 -67.4 -34.1 37.8 -42.2 -8.2 96 388 A E H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 10,-0.3 0.987 113.3 36.2 -51.5 -64.3 38.8 -43.5 -4.7 97 389 A G H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 117.7 50.1 -58.2 -48.9 35.2 -44.1 -3.7 98 390 A V H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.906 111.3 50.1 -60.8 -42.3 34.0 -45.2 -7.2 99 391 A A H X>S+ 0 0 0 -4,-2.6 5,-1.5 1,-0.2 4,-1.5 0.961 112.7 46.0 -57.6 -53.4 36.9 -47.7 -7.4 100 392 A R H <5S+ 0 0 191 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.854 115.8 47.7 -58.2 -36.0 36.2 -49.1 -4.0 101 393 A R H <5S+ 0 0 126 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.801 120.1 32.3 -79.8 -29.3 32.5 -49.4 -4.7 102 394 A Y H <5S- 0 0 7 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.343 128.2 -60.2-122.0 6.2 32.6 -51.0 -8.2 103 395 A G T <5S+ 0 0 42 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.806 94.9 36.5 124.5 52.2 35.6 -53.3 -8.2 104 396 A G < - 0 0 26 -5,-1.5 2,-0.4 -8,-0.1 -1,-0.3 -0.989 67.2 -91.1 175.5-166.6 39.1 -51.9 -7.7 105 397 A E - 0 0 123 -2,-0.3 2,-0.8 7,-0.1 -9,-0.1 -0.988 27.9-128.8-139.5 126.6 41.5 -49.5 -6.0 106 398 A W + 0 0 35 -2,-0.4 2,-0.1 -10,-0.3 7,-0.1 -0.645 42.4 172.8 -76.2 108.1 42.6 -46.1 -7.2 107 399 A T - 0 0 24 -2,-0.8 -1,-0.0 2,-0.2 -11,-0.0 -0.164 44.8-109.6-102.6-165.3 46.4 -46.2 -7.1 108 400 A E S S+ 0 0 137 -2,-0.1 2,-0.5 -90,-0.1 -2,-0.1 0.025 85.2 99.8-116.6 23.3 49.2 -43.8 -8.2 109 401 A E > - 0 0 54 1,-0.1 4,-2.1 -92,-0.1 -2,-0.2 -0.951 65.6-144.8-115.8 129.5 50.4 -46.1 -11.0 110 402 A A H > S+ 0 0 2 -2,-0.5 4,-2.5 1,-0.2 -77,-0.2 0.926 98.2 50.5 -58.1 -52.2 49.4 -45.3 -14.6 111 403 A G H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 111.7 48.3 -55.3 -41.2 49.1 -48.9 -15.8 112 404 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.861 109.8 52.0 -70.2 -35.9 46.9 -49.9 -12.8 113 405 A R H X S+ 0 0 20 -4,-2.1 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-20.2 133 425 A R H > S+ 0 0 115 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.900 115.5 43.1 -74.9 -39.6 16.7 -42.9 -18.8 134 426 A L H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.898 113.1 54.2 -67.8 -40.7 20.1 -42.7 -17.1 135 427 A L H X S+ 0 0 29 -4,-3.5 4,-2.3 1,-0.2 5,-0.2 0.900 106.9 52.0 -58.7 -40.8 21.6 -44.3 -20.2 136 428 A W H X S+ 0 0 103 -4,-2.0 4,-3.3 -5,-0.3 5,-0.4 0.929 108.6 49.5 -61.6 -46.9 20.0 -41.5 -22.2 137 429 A L H X>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 4,-1.5 0.868 110.6 51.2 -61.3 -37.7 21.6 -38.8 -20.0 138 430 A Y H <>S+ 0 0 0 -4,-2.2 5,-2.6 3,-0.2 -1,-0.2 0.943 119.9 33.7 -63.4 -48.1 25.0 -40.5 -20.3 139 431 A R H <5S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.859 128.2 34.7 -77.9 -40.5 24.9 -40.6 -24.1 140 432 A E H <5S+ 0 0 95 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.652 135.1 9.4 -92.2 -18.5 22.9 -37.4 -24.9 141 433 A V T X5S+ 0 0 1 -4,-1.5 4,-2.5 -5,-0.4 -3,-0.2 0.661 121.3 39.1-124.7 -72.5 24.3 -35.2 -22.1 142 434 A E H >> S+ 0 0 43 0, 0.0 4,-1.3 0, 0.0 3,-0.8 0.886 111.7 58.6 -60.1 -36.1 29.3 -35.3 -25.0 145 437 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.859 94.0 65.9 -59.8 -36.1 29.3 -32.5 -22.4 146 438 A S H 3X S+ 0 0 3 -4,-1.8 4,-1.9 -3,-0.4 -1,-0.2 0.837 100.7 49.4 -59.2 -34.3 32.7 -33.7 -21.2 147 439 A A H + 0 0 59 145,-3.1 4,-1.6 -2,-0.4 5,-0.1 -0.633 35.0 174.8 -81.9 88.0 43.0 -7.4 -16.8 161 453 A V H > S+ 0 0 45 -2,-1.6 4,-2.8 1,-0.2 3,-0.2 0.920 72.7 50.8 -65.3 -49.7 45.9 -8.1 -14.5 162 454 A A H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 108.6 55.6 -55.7 -40.9 47.4 -4.6 -14.2 163 455 A Y H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 110.8 43.1 -59.2 -43.3 43.9 -3.3 -13.4 164 456 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.2 -2,-0.2 0.875 110.0 56.1 -72.8 -38.4 43.5 -5.8 -10.5 165 457 A R H X S+ 0 0 114 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.947 111.7 44.7 -54.0 -48.6 47.1 -5.1 -9.2 166 458 A A H X S+ 0 0 61 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.881 109.9 54.9 -64.7 -39.4 46.1 -1.4 -9.1 167 459 A L H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.890 101.9 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-64.4 -38.6 41.2 3.0 7.5 178 470 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.925 114.3 47.8 -72.1 -45.7 38.4 0.6 8.6 179 471 A E H X S+ 0 0 68 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.907 109.9 52.0 -65.7 -42.0 40.6 -1.6 10.8 180 472 A A H X S+ 0 0 60 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.895 111.7 47.6 -59.8 -40.8 42.2 1.4 12.6 181 473 A E H X S+ 0 0 64 -4,-1.3 4,-2.1 -5,-0.2 -1,-0.2 0.873 109.9 52.2 -69.8 -38.0 38.8 2.8 13.3 182 474 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 6,-0.2 0.921 108.5 51.5 -61.4 -43.6 37.6 -0.6 14.6 183 475 A F H X>S+ 0 0 45 -4,-2.4 5,-1.1 2,-0.2 4,-0.8 0.863 107.6 52.1 -66.7 -36.7 40.5 -0.8 16.9 184 476 A R H ><5S+ 0 0 153 -4,-1.7 3,-1.6 2,-0.2 -1,-0.2 0.987 112.7 44.4 -57.4 -58.6 39.9 2.6 18.4 185 477 A L H 3<5S+ 0 0 36 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.854 112.0 52.3 -56.2 -38.9 36.3 1.8 19.2 186 478 A A H 3<5S- 0 0 10 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.695 107.0-133.5 -69.1 -17.3 37.4 -1.6 20.6 187 479 A G T <<5S+ 0 0 65 -3,-1.6 -3,-0.2 -4,-0.8 -2,-0.1 0.507 81.5 48.2 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-43.8 34.6 -11.5 22.7 201 493 A V H <>S+ 0 0 2 -4,-1.8 5,-1.3 3,-0.2 -2,-0.2 0.912 118.0 39.7 -57.3 -44.8 35.1 -7.9 21.8 202 494 A L H <5S+ 0 0 0 -4,-2.6 6,-2.4 3,-0.2 -2,-0.2 0.948 128.8 22.9 -74.3 -51.4 31.5 -7.6 20.6 203 495 A F H <5S+ 0 0 13 -4,-2.3 -3,-0.2 -5,-0.3 7,-0.2 0.697 134.1 28.1 -99.0 -22.4 29.4 -9.6 23.1 204 496 A D T <5S+ 0 0 87 -4,-1.6 -3,-0.2 -5,-0.5 -4,-0.1 0.840 128.2 33.4-100.7 -55.7 31.6 -9.6 26.2 205 497 A E T - 0 0 38 5,-2.7 4,-0.9 -2,-0.3 7,-0.0 -0.416 33.7-119.9 -73.4 154.5 27.2 -21.2 15.1 215 507 A E T 4 S+ 0 0 170 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.903 98.1 26.6 -66.2 -48.9 26.1 -24.6 13.9 216 508 A K T 4 S+ 0 0 187 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.853 133.6 23.4 -91.0 -38.0 28.8 -27.1 14.9 217 509 A T T 4 S- 0 0 92 2,-0.1 -2,-0.1 0, 0.0 -1,-0.1 0.429 92.0-130.0-114.3 -3.0 30.5 -25.6 18.0 218 510 A G < + 0 0 31 -4,-0.9 2,-0.1 1,-0.2 -3,-0.1 0.787 49.2 154.0 61.2 32.3 27.7 -23.3 19.3 219 511 A K - 0 0 71 1,-0.1 -5,-2.7 -6,-0.0 2,-0.4 -0.471 59.3 -84.2 -80.1 163.1 29.8 -20.1 19.7 220 512 A R B -H 213 0E 54 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.588 55.5-119.9 -71.9 122.9 28.0 -16.8 19.5 221 513 A S - 0 0 17 -9,-2.3 -10,-0.3 -2,-0.4 -9,-0.2 -0.295 29.6-175.6 -72.1 144.3 27.8 -15.9 15.8 222 514 A T + 0 0 5 -12,-0.1 -1,-0.1 -11,-0.1 5,-0.1 -0.014 39.0 144.5-119.6 24.2 29.3 -12.8 14.2 223 515 A S > - 0 0 48 1,-0.1 4,-2.5 3,-0.1 3,-0.3 -0.083 67.4-105.1 -58.8 163.7 27.8 -13.6 10.8 224 516 A A H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.823 121.8 59.0 -63.3 -31.4 26.6 -10.8 8.6 225 517 A A H > S+ 0 0 64 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.902 110.0 43.0 -63.5 -41.1 23.0 -11.7 9.5 226 518 A V H 4 S+ 0 0 10 -3,-0.3 4,-0.3 2,-0.2 3,-0.3 0.931 114.3 49.4 -67.8 -48.9 23.8 -11.0 13.1 227 519 A L H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 4,-0.4 0.881 104.5 59.1 -60.9 -40.5 25.8 -7.9 12.5 228 520 A E H >< S+ 0 0 105 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.905 102.7 53.0 -55.0 -43.9 23.1 -6.4 10.3 229 521 A A T 3< S+ 0 0 67 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.557 111.5 47.9 -70.2 -7.4 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