==== 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 TRANSFERASE/DNA 24-FEB-10 3LWM . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.MARX,K.DIEDERICHS,S.OBEID . 538 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.5 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 . 2 0.4 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 . 1 0.2 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 . 28 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 42.8 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 0 1 1 5 2 2 0 0 1 2 0 1 1 2 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 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 1 295 A E 0 0 169 0, 0.0 37,-3.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 -60.9 50.1 -59.4 -19.3 2 296 A E B +a 38 0A 117 35,-0.2 37,-0.2 37,-0.1 35,-0.0 -0.747 360.0 173.2 -87.1 113.7 52.9 -57.0 -20.1 3 297 A A - 0 0 17 35,-2.4 37,-0.5 -2,-0.7 34,-0.0 -0.958 33.2-102.9-124.1 141.3 52.8 -56.0 -23.8 4 298 A P - 0 0 111 0, 0.0 37,-0.1 0, 0.0 -1,-0.0 -0.139 55.0 -66.4 -60.0 150.7 54.9 -53.3 -25.5 5 299 A W S S+ 0 0 39 35,-0.5 35,-0.0 2,-0.0 26,-0.0 -0.526 99.4 59.1 -70.8 146.1 53.6 -49.9 -26.4 6 300 A P S S- 0 0 79 0, 0.0 34,-0.1 0, 0.0 41,-0.0 0.548 72.8-144.9 -89.3 171.0 51.5 -48.9 -28.3 7 301 A P - 0 0 24 0, 0.0 3,-0.1 0, 0.0 26,-0.1 -0.433 26.4 -93.6 -87.7 164.8 48.1 -50.5 -27.3 8 302 A P > - 0 0 58 0, 0.0 3,-1.1 0, 0.0 2,-0.1 -0.283 57.2 -80.9 -67.8 164.7 45.3 -51.7 -29.7 9 303 A E T 3 S+ 0 0 183 1,-0.2 42,-0.0 42,-0.1 0, 0.0 -0.416 116.3 33.1 -68.8 144.3 42.5 -49.2 -30.4 10 304 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.2 43,-0.1 2,-0.1 0.508 83.2 146.9 88.5 5.0 39.8 -49.0 -27.8 11 305 A A < - 0 0 15 -3,-1.1 2,-0.4 23,-0.1 44,-0.4 -0.379 52.5-111.8 -70.3 152.4 42.2 -49.7 -24.9 12 306 A F E -B 33 0A 10 21,-3.2 21,-2.7 100,-0.1 2,-0.2 -0.748 32.3-135.0 -89.0 132.2 41.6 -48.1 -21.5 13 307 A V E -B 32 0A 5 42,-3.7 2,-0.4 -2,-0.4 44,-0.3 -0.576 18.7-172.2 -90.8 145.7 44.1 -45.4 -20.5 14 308 A G E +B 31 0A 2 17,-2.8 17,-3.5 -2,-0.2 2,-0.3 -0.995 13.4 172.3-131.3 140.6 45.8 -45.0 -17.1 15 309 A F E -B 30 0A 11 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.997 24.3-144.4-150.7 150.8 47.9 -42.0 -16.2 16 310 A V E -B 29 0A 15 13,-1.7 12,-2.2 -2,-0.3 13,-1.2 -0.971 16.4-163.6-118.8 130.2 49.8 -40.3 -13.4 17 311 A L E -B 27 0A 27 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.834 27.4-131.0-109.8 150.7 50.0 -36.6 -13.0 18 312 A S S S+ 0 0 66 8,-2.0 2,-0.3 -2,-0.3 9,-0.1 0.694 96.5 8.3 -69.0 -19.8 52.4 -34.6 -10.7 19 313 A R S S- 0 0 116 7,-0.3 -1,-0.1 2,-0.1 6,-0.1 -0.978 80.4-107.1-158.3 163.5 49.4 -32.7 -9.6 20 314 A K S S+ 0 0 124 -2,-0.3 5,-0.1 -3,-0.1 3,-0.1 0.754 91.9 88.1 -69.7 -27.0 45.6 -32.8 -9.9 21 315 A E >> - 0 0 27 1,-0.2 3,-1.9 3,-0.1 4,-1.1 -0.656 64.8-155.9 -82.8 109.4 45.3 -29.7 -12.2 22 316 A P T 34 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.808 92.7 53.9 -52.2 -39.6 45.6 -31.0 -15.9 23 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.1 -3,-0.0 0.689 118.8 34.4 -71.1 -19.4 46.7 -27.6 -17.1 24 318 A W T <4 S+ 0 0 77 -3,-1.9 -1,-0.2 -5,-0.1 2,-0.2 0.437 97.5 110.4-112.5 -2.5 49.5 -27.4 -14.6 25 319 A A < - 0 0 3 -4,-1.1 2,-0.5 -3,-0.3 -5,-0.0 -0.448 59.8-138.3 -85.8 145.3 50.5 -31.1 -14.4 26 320 A D - 0 0 76 -2,-0.2 -8,-2.0 0, 0.0 2,-1.0 -0.859 29.4-125.3 -88.1 130.8 53.6 -33.0 -15.5 27 321 A L E +B 17 0A 4 -2,-0.5 18,-0.2 -10,-0.2 -10,-0.2 -0.714 34.3 176.4 -80.7 103.2 52.5 -36.3 -17.1 28 322 A L E + 0 0 91 -12,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.841 59.8 4.7 -80.9 -36.3 54.5 -38.8 -15.1 29 323 A A E -B 16 0A 30 -13,-1.2 -13,-1.7 14,-0.1 2,-0.3 -0.994 53.0-164.0-152.9 154.6 53.3 -42.1 -16.6 30 324 A L E +B 15 0A 3 11,-0.3 11,-2.7 -2,-0.3 2,-0.2 -0.910 19.2 164.0-147.2 108.3 51.0 -43.3 -19.4 31 325 A A E -BC 14 40A 0 -17,-3.5 -17,-2.8 -2,-0.3 2,-0.3 -0.762 16.2-158.0-122.5 168.9 49.6 -46.9 -19.6 32 326 A A E -BC 13 39A 2 7,-1.8 7,-3.8 -19,-0.3 2,-0.4 -0.995 2.2-158.5-150.5 144.5 46.8 -48.7 -21.4 33 327 A A E +BC 12 38A 2 -21,-2.7 -21,-3.2 -2,-0.3 2,-0.3 -0.980 19.3 153.2-131.3 134.5 44.9 -51.9 -20.9 34 328 A R E > - C 0 37A 86 3,-2.2 3,-0.6 -2,-0.4 -23,-0.1 -0.917 66.9 -4.0-160.4 131.7 42.9 -54.1 -23.3 35 329 A G T 3 S- 0 0 63 -2,-0.3 3,-0.1 1,-0.2 -24,-0.0 0.901 129.2 -48.7 52.8 48.5 42.0 -57.7 -23.4 36 330 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 77,-0.1 -1,-0.2 0.762 116.7 105.6 66.6 27.5 43.9 -58.7 -20.3 37 331 A R E < - C 0 34A 126 -3,-0.6 -3,-2.2 -35,-0.0 2,-0.4 -0.996 54.5-149.3-136.9 145.8 47.1 -56.9 -21.3 38 332 A V E -aC 2 33A 9 -37,-3.6 -35,-2.4 -2,-0.3 2,-0.6 -0.947 3.6-159.6-117.6 132.2 48.8 -53.7 -20.1 39 333 A H E - C 0 32A 5 -7,-3.8 -7,-1.8 -2,-0.4 2,-0.5 -0.942 6.4-162.5-110.8 117.5 50.9 -51.4 -22.3 40 334 A R E - C 0 31A 92 -2,-0.6 -35,-0.5 -37,-0.5 -9,-0.2 -0.878 20.4-126.6-101.9 126.4 53.2 -49.0 -20.4 41 335 A A - 0 0 16 -11,-2.7 -11,-0.3 -2,-0.5 4,-0.1 -0.549 4.5-148.3 -78.2 127.1 54.6 -46.1 -22.4 42 336 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.922 95.9 18.5 -55.9 -50.1 58.4 -45.6 -22.5 43 337 A E S > S- 0 0 91 1,-0.1 4,-2.4 -13,-0.0 3,-0.3 -0.929 76.3-154.9-127.7 107.0 58.0 -41.8 -22.8 44 338 A P H > S+ 0 0 15 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.850 88.7 51.5 -46.8 -52.6 54.5 -40.6 -21.7 45 339 A Y H >4 S+ 0 0 48 -18,-0.2 3,-0.6 1,-0.2 4,-0.5 0.908 114.7 40.7 -60.1 -48.0 54.4 -37.3 -23.8 46 340 A K H >4 S+ 0 0 157 -3,-0.3 3,-1.5 1,-0.2 4,-0.4 0.889 109.3 62.3 -64.7 -38.0 55.3 -38.9 -27.1 47 341 A A H >< S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.3 4,-0.5 0.771 89.6 70.3 -58.6 -27.1 53.1 -41.8 -26.3 48 342 A L G X< S+ 0 0 2 -4,-1.2 3,-1.1 -3,-0.6 -1,-0.3 0.835 88.4 62.9 -59.8 -34.4 50.1 -39.4 -26.2 49 343 A R G < S+ 0 0 131 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.715 94.9 61.6 -64.9 -21.2 50.4 -39.0 -30.0 50 344 A D G < S+ 0 0 92 -3,-1.3 -1,-0.2 -4,-0.4 2,-0.2 0.713 88.1 89.0 -78.8 -20.9 49.6 -42.7 -30.4 51 345 A L < - 0 0 31 -3,-1.1 3,-0.1 -4,-0.5 -42,-0.1 -0.526 50.0-172.7 -83.1 143.8 46.1 -42.4 -28.8 52 346 A K S S+ 0 0 185 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.590 77.3 9.0-102.8 -17.8 43.0 -41.5 -30.8 53 347 A E - 0 0 86 20,-0.2 2,-0.9 2,-0.1 -1,-0.4 -0.974 69.3-121.2-161.4 143.9 40.8 -41.1 -27.7 54 348 A A B +d 75 0B 0 20,-3.0 22,-2.7 -2,-0.3 2,-0.5 -0.803 36.8 173.3 -91.7 101.3 41.1 -41.0 -23.9 55 349 A R + 0 0 34 -2,-0.9 -42,-3.7 -44,-0.4 2,-0.3 -0.950 37.7 53.8-110.1 121.9 39.0 -43.8 -22.5 56 350 A G S > S- 0 0 0 21,-2.1 3,-1.3 -2,-0.5 24,-0.2 -0.917 91.7 -18.8 151.1-175.3 39.2 -44.5 -18.7 57 351 A L T 3 S+ 0 0 4 54,-0.3 58,-0.1 -44,-0.3 21,-0.1 -0.378 128.1 4.5 -60.3 130.4 38.9 -42.9 -15.3 58 352 A L T >> S+ 0 0 51 -2,-0.1 4,-1.1 3,-0.1 3,-0.6 0.838 78.9 166.5 63.6 35.8 39.2 -39.1 -15.4 59 353 A A H X> + 0 0 1 -3,-1.3 4,-2.2 1,-0.2 3,-0.7 0.882 67.9 58.4 -46.7 -52.3 39.4 -39.1 -19.2 60 354 A K H 3> S+ 0 0 18 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.884 99.7 58.4 -49.0 -46.3 38.8 -35.3 -19.5 61 355 A D H <> S+ 0 0 10 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.895 109.4 43.5 -52.2 -44.7 41.8 -34.5 -17.3 62 356 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 3,-0.8 0.934 109.5 49.1 -61.4 -48.3 46.7 -33.3 -24.4 67 361 A L H ><5S+ 0 0 36 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.873 104.9 60.3 -57.6 -37.1 45.0 -30.2 -25.7 68 362 A R H 3<5S+ 0 0 36 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.829 104.9 49.0 -58.3 -32.5 47.5 -28.2 -23.7 69 363 A E T <<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.182 126.7 -99.2 -96.3 15.2 50.2 -29.8 -25.8 70 364 A G T < 5S+ 0 0 69 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.687 82.1 132.8 76.3 19.1 48.5 -29.0 -29.1 71 365 A L < - 0 0 32 -5,-2.6 2,-1.3 -6,-0.1 -1,-0.3 -0.890 55.3-141.5-104.5 133.6 47.0 -32.5 -29.5 72 366 A G + 0 0 70 -2,-0.5 -5,-0.1 -3,-0.1 -9,-0.1 -0.342 42.2 156.0 -87.9 55.3 43.3 -32.9 -30.4 73 367 A L - 0 0 7 -2,-1.3 -6,-0.2 -10,-0.3 -20,-0.2 -0.745 27.3-154.8 -89.8 113.0 42.8 -35.9 -28.1 74 368 A P - 0 0 54 0, 0.0 -20,-3.0 0, 0.0 2,-0.3 -0.537 14.7-117.7 -86.3 149.8 39.1 -36.2 -27.1 75 369 A P B +d 54 0B 8 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.699 37.9 169.3 -82.5 138.3 37.7 -37.9 -23.9 76 370 A G + 0 0 1 -22,-2.7 -16,-0.1 1,-0.4 -20,-0.1 -0.054 49.2 6.6-117.4-137.5 35.4 -40.9 -24.4 77 371 A D - 0 0 19 -2,-0.1 -21,-2.1 -22,-0.1 -1,-0.4 -0.166 60.1-177.5 -49.2 133.9 34.0 -43.5 -22.0 78 372 A D >> - 0 0 13 -23,-0.2 3,-1.3 -3,-0.1 4,-1.1 -0.940 24.5-150.7-138.8 114.8 34.7 -42.7 -18.4 79 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.781 97.1 66.7 -53.4 -29.6 33.6 -45.2 -15.6 80 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 99.1 50.7 -58.6 -41.1 33.3 -42.2 -13.3 81 375 A L H <> S+ 0 0 3 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.846 110.2 49.2 -66.7 -35.2 30.4 -40.8 -15.4 82 376 A L H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 3,-0.3 0.950 112.8 46.9 -66.0 -50.1 28.6 -44.2 -15.2 83 377 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 7,-0.2 0.922 110.3 52.8 -56.6 -47.8 29.0 -44.4 -11.5 84 378 A Y H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.808 108.3 50.7 -61.8 -32.8 27.9 -40.9 -10.9 85 379 A L H < S+ 0 0 1 -4,-1.3 348,-0.6 -3,-0.3 -1,-0.2 0.883 111.1 47.9 -72.9 -39.5 24.7 -41.5 -12.9 86 380 A L H < S- 0 0 21 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.911 139.5 -3.0 -62.8 -43.4 23.9 -44.6 -10.9 87 381 A D >< - 0 0 21 -4,-2.7 3,-2.7 -5,-0.2 -1,-0.3 -0.836 61.4-150.0-156.4 111.1 24.5 -42.7 -7.7 88 382 A P T 3 S+ 0 0 7 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.545 94.2 74.9 -66.2 -6.0 25.7 -39.0 -7.6 89 383 A S T 3 S+ 0 0 81 -6,-0.1 2,-1.3 187,-0.1 3,-0.2 0.499 72.0 95.2 -80.4 -3.8 27.5 -39.7 -4.3 90 384 A N < + 0 0 8 -3,-2.7 -3,-0.1 -7,-0.2 -1,-0.1 -0.740 46.2 138.8 -80.3 93.3 30.0 -41.5 -6.5 91 385 A T + 0 0 60 -2,-1.3 -1,-0.2 1,-0.1 182,-0.2 0.584 50.2 50.6-117.0 -16.2 32.4 -38.5 -6.8 92 386 A T > - 0 0 57 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.921 69.4-129.7-129.7 152.5 35.9 -39.9 -6.5 93 387 A P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.870 111.2 59.3 -63.8 -37.2 38.0 -42.7 -8.2 94 388 A E H > S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 10,-0.2 0.947 111.9 38.1 -51.8 -54.3 38.9 -43.9 -4.6 95 389 A G H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.938 115.8 50.7 -67.0 -48.6 35.3 -44.4 -3.7 96 390 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.873 109.8 53.3 -58.3 -38.9 34.1 -45.8 -7.1 97 391 A A H X>S+ 0 0 1 -4,-2.6 5,-1.7 2,-0.2 4,-1.3 0.981 110.0 43.2 -61.1 -61.2 37.0 -48.3 -7.0 98 392 A R H <5S+ 0 0 194 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.858 117.6 50.2 -53.4 -35.3 36.3 -49.9 -3.6 99 393 A R H <5S+ 0 0 126 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.843 118.6 32.3 -76.1 -34.2 32.6 -49.9 -4.5 100 394 A Y H <5S- 0 0 8 -4,-2.1 -1,-0.2 -3,-0.4 -2,-0.2 0.243 126.1 -72.3-118.2 14.7 32.8 -51.6 -7.9 101 395 A G T <5S+ 0 0 46 -4,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.877 92.8 60.1 108.8 47.5 35.8 -54.0 -7.7 102 396 A G < - 0 0 20 -5,-1.7 2,-0.4 -6,-0.1 -1,-0.3 -0.943 66.6-102.8-168.7-168.5 39.2 -52.5 -7.6 103 397 A E - 0 0 144 -2,-0.3 2,-0.9 7,-0.1 11,-0.1 -0.988 23.1-131.5-138.7 126.1 41.7 -50.2 -5.9 104 398 A W + 0 0 44 -2,-0.4 2,-0.1 -10,-0.2 7,-0.1 -0.678 42.2 170.4 -77.5 108.5 42.7 -46.7 -6.9 105 399 A T - 0 0 28 -2,-0.9 -11,-0.0 2,-0.2 -1,-0.0 -0.332 45.6-107.6-108.5-169.9 46.5 -46.8 -6.8 106 400 A E S S+ 0 0 141 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 0.055 84.7 97.5-110.9 22.7 49.3 -44.5 -7.9 107 401 A E > - 0 0 53 1,-0.1 4,-1.8 -92,-0.0 -2,-0.2 -0.945 66.2-142.4-118.1 135.6 50.5 -46.5 -10.9 108 402 A A H > S+ 0 0 2 -2,-0.4 4,-2.0 1,-0.2 -77,-0.2 0.908 99.9 50.8 -60.5 -47.8 49.5 -45.9 -14.5 109 403 A G H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 111.6 46.9 -57.7 -47.3 49.3 -49.5 -15.5 110 404 A E H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.831 110.6 54.2 -65.7 -32.3 47.1 -50.5 -12.6 111 405 A R H X S+ 0 0 21 -4,-1.8 4,-2.1 2,-0.2 -54,-0.3 0.845 108.8 48.2 -69.3 -35.2 44.9 -47.4 -13.3 112 406 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -79,-0.2 0.911 114.3 45.6 -68.9 -43.8 44.4 -48.6 -16.9 113 407 A A H X S+ 0 0 35 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.902 112.8 51.3 -65.3 -41.5 43.6 -52.1 -15.8 114 408 A L H X S+ 0 0 5 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.921 106.8 54.1 -59.7 -46.3 41.2 -50.7 -13.1 115 409 A S H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.893 109.4 47.4 -57.0 -44.2 39.5 -48.5 -15.7 116 410 A E H X S+ 0 0 47 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.968 115.5 44.3 -61.5 -54.6 38.7 -51.5 -17.9 117 411 A R H X S+ 0 0 144 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.919 114.6 48.5 -56.1 -50.0 37.4 -53.7 -15.1 118 412 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.872 110.9 51.6 -61.7 -38.4 35.3 -50.9 -13.6 119 413 A F H X S+ 0 0 24 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.939 109.5 48.8 -65.1 -47.3 33.8 -50.0 -16.9 120 414 A A H X S+ 0 0 67 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.963 116.6 43.0 -55.1 -51.7 32.8 -53.6 -17.6 121 415 A N H X S+ 0 0 66 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.906 118.0 44.6 -62.9 -43.7 31.2 -53.9 -14.2 122 416 A L H X S+ 0 0 0 -4,-2.9 4,-1.0 -5,-0.2 -1,-0.2 0.860 107.4 57.7 -70.5 -36.8 29.5 -50.5 -14.3 123 417 A W H < S+ 0 0 101 -4,-3.0 3,-0.4 1,-0.2 -1,-0.2 0.876 105.3 52.2 -62.7 -36.3 28.2 -50.8 -17.9 124 418 A G H >< S+ 0 0 44 -4,-1.5 3,-1.4 -5,-0.3 -1,-0.2 0.840 103.6 56.2 -68.5 -34.1 26.4 -53.9 -16.8 125 419 A R H 3< S+ 0 0 126 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.742 101.7 59.4 -70.8 -20.3 24.7 -52.2 -13.9 126 420 A L T 3< S+ 0 0 0 -4,-1.0 2,-0.6 -3,-0.4 -1,-0.3 0.153 77.2 116.7 -93.2 18.6 23.4 -49.6 -16.5 127 421 A E S < S+ 0 0 160 -3,-1.4 -3,-0.0 1,-0.2 3,-0.0 -0.791 85.5 12.5 -87.0 123.5 21.6 -52.3 -18.4 128 422 A G S S+ 0 0 57 -2,-0.6 2,-2.1 1,-0.1 3,-0.3 0.003 98.7 105.3 98.3 -27.6 17.8 -51.6 -18.2 129 423 A E > + 0 0 58 1,-0.2 4,-2.2 -4,-0.1 3,-0.2 -0.456 43.9 163.0 -80.3 65.4 18.5 -48.1 -16.9 130 424 A E H > + 0 0 116 -2,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.846 67.4 51.8 -60.6 -38.7 17.6 -46.7 -20.3 131 425 A R H > S+ 0 0 122 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.901 111.8 46.6 -67.2 -39.0 17.1 -43.1 -19.1 132 426 A L H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.828 111.1 54.1 -69.3 -31.5 20.5 -43.1 -17.4 133 427 A L H X S+ 0 0 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439 A A H + 0 0 60 145,-3.1 4,-1.7 -2,-0.4 5,-0.1 -0.623 34.0 175.0 -80.1 87.4 43.3 -8.0 -16.8 159 453 A V H > S+ 0 0 47 -2,-1.6 4,-2.7 1,-0.2 5,-0.2 0.926 72.3 51.5 -63.3 -51.6 46.2 -8.5 -14.4 160 454 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 108.7 55.1 -57.2 -36.3 47.6 -4.9 -14.2 161 455 A Y H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 110.3 43.7 -60.9 -49.1 44.0 -3.8 -13.4 162 456 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.858 109.7 56.6 -67.1 -37.0 43.8 -6.2 -10.4 163 457 A R H X S+ 0 0 109 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.905 112.4 42.8 -56.9 -42.4 47.3 -5.3 -9.2 164 458 A A H X S+ 0 0 60 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.899 112.2 51.8 -73.5 -41.5 46.2 -1.7 -9.1 165 459 A L H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.872 104.2 60.2 -62.5 -37.3 42.8 -2.4 -7.5 166 460 A S H X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.916 103.7 48.5 -54.0 -48.8 44.6 -4.5 -4.8 167 461 A L H X S+ 0 0 121 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.841 111.5 51.1 -65.1 -34.8 46.6 -1.5 -3.6 168 462 A E H X S+ 0 0 100 -4,-1.5 4,-1.8 2,-0.2 3,-0.4 0.973 112.8 43.6 -62.3 -56.7 43.5 0.6 -3.5 169 463 A V H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.833 108.6 59.5 -61.2 -35.4 41.5 -1.9 -1.4 170 464 A A H X S+ 0 0 38 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.913 106.0 48.5 -58.9 -42.6 44.6 -2.5 0.8 171 465 A E H X S+ 0 0 120 -4,-1.5 4,-1.2 -3,-0.4 -2,-0.2 0.900 111.6 48.1 -65.9 -42.1 44.5 1.2 1.7 172 466 A E H X S+ 0 0 69 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.869 108.1 56.2 -66.4 -36.6 40.8 1.2 2.5 173 467 A I H X S+ 0 0 18 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.894 103.6 53.8 -61.7 -40.4 41.2 -1.9 4.6 174 468 A A H X S+ 0 0 53 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.833 106.9 51.9 -64.4 -33.5 43.8 -0.1 6.8 175 469 A R H X S+ 0 0 129 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.946 113.1 43.3 -66.6 -49.7 41.4 2.7 7.4 176 470 A L H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.895 113.8 52.1 -60.6 -42.2 38.6 0.3 8.6 177 471 A E H X S+ 0 0 74 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.887 110.9 47.9 -62.4 -40.8 41.2 -1.7 10.6 178 472 A A H X 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108 -3,-0.1 2,-0.8 1,-0.0 -1,-0.3 0.634 85.2 87.8 -82.2 -16.6 40.4 -11.8 10.8 192 486 A S <> - 0 0 27 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 -0.762 60.8-165.2 -87.4 110.0 40.0 -14.1 13.8 193 487 A R H > S+ 0 0 67 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.822 90.1 58.2 -63.9 -28.0 36.3 -14.7 14.5 194 488 A D H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.930 109.2 42.1 -63.7 -47.7 37.2 -16.0 17.9 195 489 A Q H > S+ 0 0 68 -6,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.874 113.7 53.5 -69.0 -37.0 38.9 -12.7 18.9 196 490 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -7,-0.3 5,-0.2 0.906 104.8 55.1 -60.8 -43.3 36.1 -10.7 17.4 197 491 A E H X>S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 5,-0.6 0.932 108.2 48.2 -56.4 -49.5 33.5 -12.7 19.4 198 492 A R H X>S+ 0 0 117 -4,-1.7 4,-2.4 1,-0.2 5,-2.1 0.953 114.2 46.7 -54.1 -53.0 35.3 -11.8 22.7 199 493 A V H <>S+ 0 0 3 -4,-2.1 5,-2.8 3,-0.2 -2,-0.2 0.900 116.9 41.8 -59.2 -46.1 35.5 -8.1 21.7 200 494 A L H <5S+ 0 0 1 -4,-2.9 6,-1.0 3,-0.2 -1,-0.2 0.939 130.1 21.3 -70.7 -48.9 31.9 -7.8 20.5 201 495 A F H <5S+ 0 0 17 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.695 134.4 31.5 -98.6 -22.2 30.0 -9.7 23.2 202 496 A D T < - 0 0 38 5,-2.9 4,-0.9 -2,-0.3 -1,-0.0 -0.442 31.2-123.4 -81.9 152.9 27.7 -21.7 15.7 213 507 A E T 4 S+ 0 0 175 2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.944 96.8 26.8 -63.3 -59.7 26.8 -25.2 14.5 214 508 A K T 4 S+ 0 0 196 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.934 135.0 22.5 -75.2 -49.6 29.7 -27.5 15.4 215 509 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.570 93.2-128.2-102.4 -12.1 31.3 -25.8 18.4 216 510 A G < + 0 0 31 -4,-0.9 2,-0.1 1,-0.2 -3,-0.1 0.787 49.6 155.6 71.9 28.7 28.5 -23.6 19.8 217 511 A K - 0 0 71 1,-0.1 -5,-2.9 -6,-0.1 2,-0.5 -0.453 58.4 -87.4 -79.1 159.4 30.4 -20.3 19.9 218 512 A R B -H 211 0E 56 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.595 55.6-122.4 -66.3 117.1 28.5 -17.0 19.7 219 513 A S - 0 0 19 -9,-2.0 -10,-0.4 -2,-0.5 -9,-0.2 -0.270 27.7-172.1 -67.8 145.2 28.3 -16.4 16.0 220 514 A T + 0 0 6 -12,-0.1 -1,-0.1 -11,-0.1 5,-0.1 -0.044 39.2 142.7-119.8 27.8 29.7 -13.3 14.3 221 515 A S > - 0 0 47 1,-0.1 4,-2.8 3,-0.1 3,-0.2 -0.075 68.1-101.9 -65.3 168.7 28.2 -14.0 10.9 222 516 A A H > S+ 0 0 49 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.908 122.9 57.9 -59.2 -43.7 26.8 -11.4 8.6 223 517 A A H > S+ 0 0 44 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.896 112.7 41.4 -52.4 -42.1 23.2 -12.3 9.6 224 518 A V H > S+ 0 0 8 -3,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.912 116.0 47.7 -72.8 -44.5 24.2 -11.5 13.2 225 519 A L H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.898 108.5 55.2 -64.8 -40.8 26.2 -8.4 12.4 226 520 A E H >< S+ 0 0 95 -4,-3.6 3,-1.3 1,-0.3 -1,-0.2 0.886 106.4 51.4 -59.7 -39.3 23.5 -7.0 10.2 227 521 A A H 3< S+ 0 0 65 -4,-1.2 3,-0.3 -5,-0.3 -1,-0.3 0.727 113.9 44.4 -70.2 -22.4 21.0 -7.3 13.1 228 522 A L T XX S+ 0 0 11 -4,-0.9 3,-2.1 -3,-0.6 4,-0.6 0.185 77.9 117.3-103.9 14.6 23.5 -5.4 15.3 229 523 A R T <4 S+ 0 0 94 -3,-1.3 7,-0.4 1,-0.3 -1,-0.2 0.772 86.3 32.1 -57.0 -30.0 24.2 -2.8 12.6 230 524 A E T 34 S+ 0 0 196 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.094 99.0 83.0-115.8 21.0 22.8 -0.0 14.8 231 525 A A T <4 S- 0 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