==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 11-APR-12 4ELV . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR A.MARX,K.DIEDERICHS,S.OBEID . 539 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 69.9 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 . 53 9.8 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 . 20 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 1 1 4 2 3 0 0 1 2 1 0 2 1 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 . 4 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 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 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 1 294 A L 0 0 119 0, 0.0 2,-0.2 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 145.5 48.0 -58.6 -17.0 2 295 A E E -a 38 0A 123 35,-2.4 37,-2.6 1,-0.1 2,-0.4 -0.500 360.0-122.0 -69.0 130.5 50.5 -59.5 -19.7 3 296 A E E +a 39 0A 111 -2,-0.2 37,-0.2 35,-0.2 -1,-0.1 -0.610 38.7 176.6 -77.8 128.6 53.2 -56.8 -20.2 4 297 A A E -a 40 0A 16 35,-2.7 37,-0.7 -2,-0.4 34,-0.0 -0.948 30.4 -97.6-135.4 153.0 53.3 -55.5 -23.8 5 298 A P - 0 0 109 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.290 55.6 -73.6 -67.8 149.9 55.2 -52.8 -25.7 6 299 A W S S+ 0 0 37 35,-0.4 35,-0.1 2,-0.0 26,-0.0 -0.555 97.0 63.0 -69.0 147.1 53.8 -49.4 -26.3 7 300 A P S S- 0 0 80 0, 0.0 34,-0.1 0, 0.0 41,-0.0 0.551 70.9-146.5 -91.1 159.7 51.7 -48.4 -28.3 8 301 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.349 27.1 -98.9 -76.6 163.0 48.3 -50.1 -27.3 9 302 A P > - 0 0 60 0, 0.0 3,-1.1 0, 0.0 0, 0.0 -0.347 55.1 -74.0 -76.2 167.0 45.7 -51.1 -29.9 10 303 A E T 3 S+ 0 0 148 1,-0.2 42,-0.0 -2,-0.1 0, 0.0 -0.240 117.2 32.8 -60.8 146.4 42.7 -48.8 -30.6 11 304 A G T 3 S+ 0 0 14 1,-0.2 -1,-0.2 -3,-0.1 2,-0.0 0.457 84.3 148.1 87.7 2.0 40.0 -48.8 -27.9 12 305 A A < - 0 0 15 -3,-1.1 2,-0.4 1,-0.1 44,-0.3 -0.283 49.6-115.0 -70.8 153.1 42.4 -49.3 -25.0 13 306 A F E -B 34 0A 14 21,-2.6 21,-2.4 42,-0.1 2,-0.3 -0.739 30.8-138.9 -90.0 138.1 41.8 -47.8 -21.5 14 307 A V E -B 33 0A 4 42,-3.5 44,-0.4 -2,-0.4 2,-0.4 -0.693 17.0-172.1-101.6 144.6 44.2 -45.3 -20.4 15 308 A G E +B 32 0A 2 17,-2.6 17,-2.7 -2,-0.3 2,-0.3 -0.976 15.2 170.1-125.9 147.1 45.8 -44.8 -17.0 16 309 A F E -B 31 0A 12 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.996 24.6-144.4-155.3 153.8 47.9 -41.8 -16.1 17 310 A V E -B 30 0A 10 13,-2.1 12,-2.4 -2,-0.3 13,-1.3 -0.985 15.5-163.8-123.6 132.1 49.6 -40.0 -13.2 18 311 A L E -B 28 0A 25 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.845 27.5-127.0-112.3 154.3 49.9 -36.2 -12.8 19 312 A S S S+ 0 0 64 8,-1.9 2,-0.3 -2,-0.3 9,-0.1 0.680 94.6 4.0 -72.2 -19.6 52.2 -34.2 -10.5 20 313 A R S S- 0 0 113 7,-0.2 6,-0.1 2,-0.1 -1,-0.1 -0.961 82.6-100.2-158.5 168.9 49.2 -32.3 -9.2 21 314 A K S S+ 0 0 130 -2,-0.3 5,-0.1 4,-0.1 -1,-0.0 0.772 95.4 83.0 -70.0 -27.9 45.4 -32.2 -9.7 22 315 A E >> - 0 0 30 1,-0.2 3,-1.6 2,-0.1 4,-1.4 -0.661 64.3-158.2 -85.6 111.8 45.1 -29.3 -12.1 23 316 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.795 89.6 59.5 -66.9 -24.9 45.7 -30.6 -15.6 24 317 A M T 34 S+ 0 0 8 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.762 118.8 31.7 -68.6 -20.8 46.6 -27.2 -17.0 25 318 A W T <4 S+ 0 0 71 -3,-1.6 -1,-0.2 2,-0.1 2,-0.1 0.524 99.0 108.0-110.4 -10.1 49.5 -27.1 -14.5 26 319 A A < - 0 0 2 -4,-1.4 2,-0.5 -6,-0.1 -5,-0.0 -0.404 62.1-133.3 -80.9 145.6 50.5 -30.7 -14.1 27 320 A D - 0 0 76 -2,-0.1 -8,-1.9 1,-0.0 2,-0.9 -0.814 28.1-124.7 -84.4 129.0 53.5 -32.6 -15.3 28 321 A L E +B 18 0A 4 -2,-0.5 -10,-0.2 -10,-0.2 18,-0.2 -0.710 34.9 177.4 -75.1 106.7 52.4 -35.9 -16.9 29 322 A L E - 0 0 92 -12,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.839 58.2 -2.0 -86.9 -35.3 54.5 -38.3 -14.8 30 323 A A E -B 17 0A 32 -13,-1.3 -13,-2.1 14,-0.1 2,-0.3 -0.991 55.5-167.6-156.7 154.9 53.4 -41.7 -16.3 31 324 A L E +B 16 0A 2 11,-0.3 11,-2.6 -2,-0.3 2,-0.3 -0.997 14.0 161.9-148.1 137.8 51.0 -43.1 -18.9 32 325 A A E -BC 15 41A 0 -17,-2.7 -17,-2.6 -2,-0.3 2,-0.3 -0.942 18.8-147.6-150.1 170.5 49.8 -46.6 -19.6 33 326 A A E -BC 14 40A 2 7,-2.0 7,-3.6 -2,-0.3 2,-0.4 -0.998 4.1-156.3-148.2 147.5 47.0 -48.5 -21.4 34 327 A A E +BC 13 39A 0 -21,-2.4 -21,-2.6 -2,-0.3 2,-0.3 -0.984 25.0 140.5-131.6 132.4 45.1 -51.7 -20.9 35 328 A R E > + C 0 38A 113 3,-2.1 3,-1.9 -2,-0.4 -23,-0.1 -0.911 63.2 5.7-166.8 139.6 43.3 -53.9 -23.4 36 329 A G T 3 S- 0 0 52 1,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.794 129.0 -50.5 59.7 34.1 42.7 -57.6 -24.2 37 330 A G T 3 S+ 0 0 38 1,-0.3 -35,-2.4 -36,-0.1 2,-0.3 0.484 117.6 108.3 84.4 3.3 44.6 -58.8 -21.1 38 331 A R E < -aC 2 35A 114 -3,-1.9 -3,-2.1 -37,-0.2 2,-0.4 -0.830 53.6-154.0-114.1 150.3 47.6 -56.7 -21.8 39 332 A V E -aC 3 34A 6 -37,-2.6 -35,-2.7 -2,-0.3 2,-0.5 -0.990 9.6-161.0-119.3 134.6 49.1 -53.6 -20.2 40 333 A H E -aC 4 33A 11 -7,-3.6 -7,-2.0 -2,-0.4 2,-0.5 -0.958 4.9-158.3-116.7 118.7 51.2 -51.2 -22.2 41 334 A R E - C 0 32A 90 -37,-0.7 -35,-0.4 -2,-0.5 -9,-0.2 -0.838 17.5-126.5-101.8 129.1 53.5 -48.8 -20.4 42 335 A A - 0 0 17 -11,-2.6 -11,-0.3 -2,-0.5 4,-0.1 -0.528 8.4-156.1 -70.0 125.8 54.7 -45.6 -22.1 43 336 A P S S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.906 93.6 18.0 -67.2 -41.0 58.5 -45.2 -22.0 44 337 A E S > S- 0 0 89 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.933 77.6-156.3-131.8 111.5 58.1 -41.4 -22.4 45 338 A P H > S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.829 86.1 52.1 -58.2 -43.8 54.6 -40.2 -21.5 46 339 A Y H > S+ 0 0 58 -18,-0.2 4,-0.5 1,-0.2 3,-0.3 0.943 115.4 39.9 -64.6 -48.2 54.5 -36.9 -23.5 47 340 A K H >4 S+ 0 0 122 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.900 111.9 58.2 -63.9 -41.3 55.6 -38.4 -26.8 48 341 A A H >< S+ 0 0 4 -4,-2.3 3,-2.0 1,-0.3 4,-0.4 0.776 90.4 72.6 -59.6 -29.7 53.4 -41.5 -26.1 49 342 A L H >< S+ 0 0 2 -4,-1.5 3,-1.4 -3,-0.3 -1,-0.3 0.846 87.2 64.0 -52.8 -36.5 50.3 -39.2 -25.8 50 343 A R T << S+ 0 0 154 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.621 92.4 64.4 -65.8 -13.3 50.5 -38.7 -29.6 51 344 A D T < S+ 0 0 80 -3,-2.0 -1,-0.3 -4,-0.2 2,-0.2 0.701 85.6 88.4 -84.3 -20.0 49.8 -42.4 -30.2 52 345 A L < - 0 0 26 -3,-1.4 3,-0.1 -4,-0.4 -42,-0.1 -0.524 53.3-167.3 -82.5 145.6 46.3 -42.2 -28.6 53 346 A K S S+ 0 0 171 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.661 78.2 5.9-100.0 -22.8 43.2 -41.4 -30.7 54 347 A E S S- 0 0 66 20,-0.2 2,-0.8 -42,-0.1 -1,-0.3 -0.988 70.8-116.1-153.2 158.9 41.0 -40.9 -27.6 55 348 A A B +d 76 0B 0 20,-2.5 22,-3.6 -2,-0.3 2,-0.5 -0.877 39.2 173.6 -99.3 108.8 41.3 -40.7 -23.8 56 349 A R + 0 0 47 -2,-0.8 -42,-3.5 -44,-0.3 2,-0.3 -0.962 37.6 49.4-122.9 110.9 39.2 -43.6 -22.5 57 350 A G S > S- 0 0 0 21,-2.2 3,-1.3 -2,-0.5 24,-0.2 -0.951 91.9 -15.6 153.9-173.5 39.3 -44.3 -18.7 58 351 A L T 3 S+ 0 0 4 -44,-0.4 -42,-0.1 54,-0.3 58,-0.1 -0.379 128.4 3.1 -61.2 137.8 39.0 -42.8 -15.3 59 352 A L T >> S+ 0 0 47 1,-0.1 4,-1.3 3,-0.1 3,-0.7 0.839 80.1 164.2 52.4 39.7 39.3 -39.0 -15.3 60 353 A A H <> + 0 0 1 -3,-1.3 4,-2.4 1,-0.2 5,-0.2 0.858 67.1 60.2 -54.3 -40.7 39.5 -38.9 -19.1 61 354 A K H 3> S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.890 100.2 56.3 -57.3 -40.3 38.7 -35.2 -19.3 62 355 A D H <> S+ 0 0 11 -3,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.928 109.5 44.7 -58.5 -45.7 41.8 -34.4 -17.2 63 356 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.909 112.1 52.9 -65.6 -41.0 44.1 -36.2 -19.7 64 357 A S H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 10,-0.3 0.900 107.5 51.5 -60.4 -41.6 42.3 -34.6 -22.6 65 358 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.900 110.4 49.0 -60.2 -43.4 42.9 -31.1 -21.2 66 359 A L H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.914 110.9 50.4 -63.3 -42.0 46.6 -31.9 -20.8 67 360 A A H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 3,-0.2 0.910 109.9 49.8 -62.7 -42.2 46.7 -33.1 -24.4 68 361 A L H ><5S+ 0 0 39 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.882 105.8 57.1 -61.7 -40.7 45.0 -29.9 -25.6 69 362 A R H 3<5S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.1 49.9 -57.3 -33.2 47.5 -27.9 -23.6 70 363 A E T 3<5S- 0 0 60 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.333 125.9-102.0 -91.7 6.7 50.2 -29.6 -25.6 71 364 A G T < 5S+ 0 0 68 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.697 79.9 130.9 83.7 20.1 48.6 -29.0 -28.9 72 365 A L < - 0 0 40 -5,-2.8 2,-1.4 -6,-0.1 -1,-0.3 -0.893 56.4-138.4-108.6 136.9 47.1 -32.4 -29.4 73 366 A G + 0 0 75 -2,-0.4 -5,-0.1 -3,-0.1 -9,-0.1 -0.564 44.7 151.0 -92.3 71.1 43.5 -33.0 -30.4 74 367 A L - 0 0 6 -2,-1.4 -6,-0.2 -10,-0.3 -20,-0.2 -0.877 29.6-157.3-105.3 103.7 42.8 -35.9 -28.1 75 368 A P - 0 0 59 0, 0.0 -20,-2.5 0, 0.0 2,-0.2 -0.507 19.5-112.5 -83.0 149.5 39.1 -36.0 -27.0 76 369 A P B +d 55 0B 11 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.540 39.1 175.0 -75.5 145.6 37.8 -37.8 -23.9 77 370 A G + 0 0 6 -22,-3.6 -17,-0.1 1,-0.4 -16,-0.1 -0.060 49.3 1.6-119.6-136.9 35.7 -40.8 -24.4 78 371 A D - 0 0 18 -2,-0.1 -21,-2.2 -22,-0.1 -1,-0.4 -0.201 60.2-176.5 -54.7 142.5 34.2 -43.3 -22.0 79 372 A D >> - 0 0 12 -23,-0.2 4,-1.2 -3,-0.1 3,-1.2 -0.930 24.7-149.3-145.2 115.5 34.9 -42.6 -18.3 80 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.793 97.0 67.0 -53.9 -30.8 33.8 -45.0 -15.5 81 374 A M H 3> S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 99.5 49.9 -57.7 -39.5 33.5 -42.0 -13.2 82 375 A L H <> S+ 0 0 2 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.871 110.5 49.3 -70.0 -35.8 30.6 -40.7 -15.3 83 376 A L H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.936 113.3 46.7 -64.0 -45.6 28.8 -44.0 -15.2 84 377 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 7,-0.3 0.911 110.0 52.7 -66.8 -39.2 29.2 -44.2 -11.4 85 378 A Y H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 108.6 51.2 -65.5 -35.1 28.0 -40.7 -10.9 86 379 A L H < S+ 0 0 1 -4,-1.6 348,-0.6 1,-0.2 -1,-0.2 0.892 108.7 50.4 -68.6 -41.6 24.9 -41.4 -12.9 87 380 A L H < S- 0 0 20 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.883 139.5 -8.7 -60.5 -36.6 24.1 -44.5 -10.9 88 381 A D >< - 0 0 17 -4,-1.8 3,-2.6 -5,-0.2 -1,-0.3 -0.793 60.9-146.9-167.1 108.6 24.5 -42.5 -7.6 89 382 A P T 3 S+ 0 0 7 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.523 93.5 78.9 -71.1 -0.4 25.8 -39.0 -7.5 90 383 A S T 3 S+ 0 0 81 -6,-0.1 2,-1.3 1,-0.1 3,-0.3 0.559 73.3 93.3 -72.0 -8.4 27.4 -39.7 -4.1 91 384 A N < + 0 0 8 -3,-2.6 -3,-0.1 -7,-0.3 -1,-0.1 -0.669 46.6 135.4 -81.8 89.7 30.0 -41.3 -6.4 92 385 A T + 0 0 59 -2,-1.3 -1,-0.2 1,-0.1 182,-0.2 0.633 50.0 54.9-116.0 -20.1 32.4 -38.3 -6.7 93 386 A T S > S- 0 0 55 -3,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.908 70.1-130.4-120.9 151.1 35.9 -39.6 -6.3 94 387 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.864 110.7 58.7 -62.5 -35.2 38.0 -42.3 -8.0 95 388 A E H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 10,-0.2 0.943 111.0 39.7 -55.3 -50.1 38.9 -43.6 -4.5 96 389 A G H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 115.7 49.8 -70.5 -42.2 35.3 -44.2 -3.6 97 390 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.915 109.7 52.3 -64.9 -42.3 34.2 -45.6 -7.0 98 391 A A H X>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 4,-1.7 0.948 111.5 45.3 -55.6 -53.8 37.1 -48.0 -7.1 99 392 A R H <5S+ 0 0 173 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.879 117.5 45.0 -60.9 -37.9 36.3 -49.5 -3.7 100 393 A R H <5S+ 0 0 125 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 121.5 33.7 -78.1 -33.0 32.6 -49.7 -4.5 101 394 A Y H <5S- 0 0 10 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.342 127.9 -63.5-118.2 8.7 32.8 -51.2 -8.0 102 395 A G T <5S+ 0 0 46 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.796 93.0 36.6 127.4 40.1 35.8 -53.5 -7.9 103 396 A G < - 0 0 17 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.3 -0.954 68.1 -88.4-173.3-164.0 39.4 -52.3 -7.4 104 397 A E - 0 0 108 -2,-0.3 2,-0.8 7,-0.1 11,-0.1 -0.998 27.5-129.6-132.3 132.2 41.8 -49.9 -5.6 105 398 A W + 0 0 41 -2,-0.4 2,-0.1 -10,-0.2 7,-0.1 -0.711 42.1 170.7 -78.4 107.5 42.8 -46.4 -6.8 106 399 A T - 0 0 32 -2,-0.8 -11,-0.0 2,-0.2 -1,-0.0 -0.372 45.0-108.5-107.6-170.7 46.6 -46.5 -6.6 107 400 A E S S+ 0 0 135 -2,-0.1 2,-0.5 -90,-0.1 -2,-0.1 0.023 84.6 98.2-110.3 26.0 49.4 -44.1 -7.8 108 401 A E > - 0 0 61 1,-0.1 4,-2.4 -92,-0.1 -2,-0.2 -0.962 65.6-143.5-120.0 129.8 50.7 -46.3 -10.7 109 402 A A H > S+ 0 0 2 -2,-0.5 4,-1.9 1,-0.2 -77,-0.3 0.844 99.2 50.9 -61.5 -40.8 49.6 -45.6 -14.3 110 403 A G H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 112.1 47.9 -65.0 -39.4 49.5 -49.3 -15.4 111 404 A E H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.890 110.2 52.7 -68.5 -37.4 47.3 -50.2 -12.4 112 405 A R H X S+ 0 0 16 -4,-2.4 4,-2.1 2,-0.2 -54,-0.3 0.841 109.2 49.7 -64.8 -34.9 45.1 -47.2 -13.1 113 406 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -79,-0.2 0.916 112.5 45.8 -69.0 -44.6 44.6 -48.4 -16.7 114 407 A A H X S+ 0 0 14 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.897 113.3 51.2 -65.2 -39.5 43.7 -51.9 -15.7 115 408 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.911 106.5 53.6 -63.1 -44.6 41.4 -50.5 -13.1 116 409 A S H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.925 109.9 48.9 -57.1 -43.5 39.7 -48.3 -15.6 117 410 A E H X S+ 0 0 52 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.924 113.8 44.0 -64.4 -47.5 39.0 -51.3 -17.8 118 411 A R H X S+ 0 0 123 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.925 114.5 49.0 -64.4 -46.6 37.6 -53.5 -15.0 119 412 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.888 108.3 53.7 -61.0 -42.2 35.4 -50.7 -13.6 120 413 A F H X S+ 0 0 21 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.953 109.6 48.3 -59.2 -46.8 34.0 -49.8 -17.0 121 414 A A H X S+ 0 0 66 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.937 115.0 45.6 -57.3 -46.7 32.9 -53.4 -17.5 122 415 A N H X S+ 0 0 65 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.941 116.6 42.8 -63.5 -47.1 31.4 -53.6 -14.1 123 416 A L H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.870 108.5 57.4 -72.8 -37.0 29.5 -50.2 -14.3 124 417 A W H < S+ 0 0 61 -4,-2.9 4,-0.5 -5,-0.3 3,-0.4 0.924 107.6 51.6 -56.3 -42.5 28.4 -50.7 -17.8 125 418 A G H >< S+ 0 0 39 -4,-1.7 3,-1.0 -5,-0.3 -2,-0.2 0.878 105.5 52.5 -59.4 -42.6 26.7 -53.9 -16.5 126 419 A R H 3< S+ 0 0 123 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.756 108.4 53.9 -65.5 -25.1 25.0 -52.1 -13.6 127 420 A L T >< S+ 0 0 0 -4,-1.4 3,-1.6 -3,-0.4 2,-0.3 0.525 77.9 113.1 -89.5 -7.4 23.6 -49.7 -16.2 128 421 A E T < S+ 0 0 134 -3,-1.0 3,-0.1 -4,-0.5 -3,-0.0 -0.527 85.3 21.6 -69.2 127.3 22.0 -52.3 -18.5 129 422 A G T 3 S+ 0 0 76 -2,-0.3 2,-1.8 1,-0.1 -1,-0.3 0.004 95.0 106.8 101.6 -26.3 18.3 -51.9 -18.3 130 423 A E <> + 0 0 64 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 -0.550 42.7 170.0 -86.6 76.4 18.6 -48.3 -17.1 131 424 A E H > S+ 0 0 158 -2,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.837 72.3 48.3 -61.0 -37.6 17.5 -46.8 -20.4 132 425 A R H > S+ 0 0 105 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.917 113.0 46.5 -72.8 -41.7 17.2 -43.2 -19.1 133 426 A L H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.890 111.5 53.3 -65.2 -37.6 20.6 -43.2 -17.4 134 427 A L H X S+ 0 0 27 -4,-2.6 4,-2.6 -7,-0.2 5,-0.2 0.906 107.7 51.2 -63.9 -39.5 22.1 -44.7 -20.5 135 428 A W H X S+ 0 0 99 -4,-2.0 4,-3.4 1,-0.2 5,-0.5 0.929 109.1 50.2 -60.3 -46.9 20.5 -41.9 -22.5 136 429 A L H X>S+ 0 0 0 -4,-2.2 5,-2.4 295,-0.2 4,-1.8 0.899 112.2 48.0 -58.6 -42.7 22.0 -39.3 -20.2 137 430 A Y H <>S+ 0 0 0 -4,-2.2 5,-2.4 3,-0.2 -2,-0.2 0.949 120.0 36.4 -63.1 -49.3 25.5 -40.9 -20.5 138 431 A R H <5S+ 0 0 119 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.865 128.3 32.4 -74.4 -39.0 25.4 -41.1 -24.3 139 432 A E H <5S+ 0 0 97 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.673 134.6 10.5 -95.9 -19.7 23.6 -37.9 -25.1 140 433 A V T X5S+ 0 0 2 -4,-1.8 4,-2.4 -5,-0.5 -3,-0.2 0.693 121.8 38.6-122.5 -68.4 24.8 -35.6 -22.3 141 434 A E H > S+ 0 0 41 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.842 110.7 60.4 -69.3 -26.3 29.9 -35.6 -25.0 144 437 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.872 95.8 63.2 -64.2 -33.0 29.8 -32.8 -22.4 145 438 A S H X S+ 0 0 3 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.2 0.871 102.4 49.3 -58.8 -36.9 33.2 -34.1 -21.2 146 439 A A H X S+ 0 0 27 -4,-0.8 4,-1.6 -3,-0.4 -1,-0.2 0.911 111.3 48.9 -66.5 -42.6 34.7 -33.2 -24.6 147 440 A V H X S+ 0 0 6 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.907 110.9 50.4 -62.9 -43.8 33.1 -29.7 -24.5 148 441 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.872 104.8 57.9 -64.8 -35.7 34.4 -29.1 -20.9 149 442 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.928 108.5 45.9 -58.4 -45.8 37.9 -30.2 -22.0 150 443 A H H X S+ 0 0 61 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.885 112.1 50.8 -64.9 -40.4 38.0 -27.4 -24.6 151 444 A M H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.938 112.3 46.9 -62.7 -46.3 36.6 -24.8 -22.2 152 445 A E H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.908 114.0 47.1 -61.5 -43.8 39.2 -25.7 -19.6 153 446 A A H < S+ 0 0 18 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.749 110.9 53.1 -73.0 -22.9 42.0 -25.6 -22.1 154 447 A T H < S- 0 0 37 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 86.4-179.0 -79.9 -44.6 40.9 -22.3 -23.6 155 448 A G < - 0 0 5 -4,-2.1 2,-0.3 332,-0.2 113,-0.2 -0.115 27.0 -85.1 72.8-175.1 40.7 -20.3 -20.3 156 449 A V B -E 267 0C 4 111,-2.1 111,-2.9 -4,-0.1 2,-0.2 -0.992 32.8-113.1-137.3 141.9 39.6 -16.7 -19.9 157 450 A R E -G 306 0D 76 149,-0.6 149,-1.8 -2,-0.3 2,-0.4 -0.517 31.1-167.1 -77.1 137.9 41.5 -13.4 -20.3 158 451 A L E -G 305 0D 12 107,-0.4 2,-1.5 -2,-0.2 147,-0.2 -0.978 26.8-124.4-126.8 137.0 42.1 -11.4 -17.2 159 452 A D > + 0 0 65 145,-2.8 4,-1.8 -2,-0.4 5,-0.1 -0.621 34.9 176.5 -78.6 88.7 43.3 -7.7 -16.9 160 453 A V H > S+ 0 0 47 -2,-1.5 4,-2.5 1,-0.2 5,-0.2 0.894 73.4 52.8 -64.1 -45.4 46.2 -8.4 -14.6 161 454 A A H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 108.8 52.2 -58.3 -40.9 47.6 -4.8 -14.4 162 455 A Y H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 110.2 46.9 -63.4 -45.5 44.2 -3.5 -13.4 163 456 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.878 109.3 54.2 -66.0 -39.1 43.9 -6.0 -10.5 164 457 A R H X S+ 0 0 112 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.935 111.8 45.0 -58.3 -46.2 47.4 -5.3 -9.3 165 458 A A H X S+ 0 0 59 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.903 110.8 54.0 -64.5 -40.8 46.5 -1.6 -9.1 166 459 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.888 101.9 58.9 -62.7 -37.5 43.1 -2.4 -7.5 167 460 A S H X S+ 0 0 18 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.887 104.9 49.9 -58.1 -39.7 44.9 -4.4 -4.8 168 461 A L H X S+ 0 0 121 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.905 111.3 48.2 -67.4 -43.3 46.9 -1.3 -3.7 169 462 A E H X S+ 0 0 98 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.929 113.6 46.7 -59.8 -49.2 43.8 0.8 -3.5 170 463 A V H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.879 106.3 58.6 -66.2 -38.9 41.9 -1.8 -1.5 171 464 A A H X S+ 0 0 43 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.916 105.9 49.9 -54.4 -45.0 44.9 -2.3 0.9 172 465 A E H X S+ 0 0 125 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.919 111.1 48.1 -63.3 -42.7 44.8 1.4 1.8 173 466 A E H X S+ 0 0 65 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.882 109.4 53.5 -64.5 -38.7 41.0 1.3 2.5 174 467 A I H X S+ 0 0 17 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.918 106.4 53.2 -60.8 -42.1 41.4 -1.8 4.6 175 468 A A H X S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.881 107.8 51.0 -61.1 -38.4 44.1 0.0 6.7 176 469 A R H X S+ 0 0 134 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.921 113.5 43.8 -67.3 -43.2 41.6 2.9 7.3 177 470 A L H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 113.2 51.7 -64.2 -43.0 38.9 0.5 8.5 178 471 A E H X S+ 0 0 69 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.918 108.6 51.0 -62.5 -45.1 41.3 -1.5 10.6 179 472 A A H X S+ 0 0 59 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.875 111.2 47.9 -61.1 -39.7 42.6 1.6 12.4 180 473 A E H X S+ 0 0 63 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.892 109.3 52.4 -71.8 -39.1 39.1 2.8 13.2 181 474 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.925 111.0 47.4 -60.3 -46.0 38.0 -0.6 14.6 182 475 A F H X>S+ 0 0 38 -4,-2.1 4,-1.7 2,-0.2 5,-1.1 0.893 109.7 52.8 -64.0 -43.7 41.0 -0.7 16.9 183 476 A R H <5S+ 0 0 154 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.928 112.6 45.3 -56.8 -45.4 40.4 2.8 18.1 184 477 A L H <5S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.792 113.8 48.9 -71.0 -28.2 36.8 1.8 18.9 185 478 A A H <5S- 0 0 11 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.696 107.3-128.6 -80.2 -20.7 37.9 -1.4 20.6 186 479 A G T <5S+ 0 0 68 -4,-1.7 -3,-0.2 -3,-0.2 -4,-0.1 0.495 82.3 42.6 81.9 3.9 40.5 0.5 22.6 187 480 A H S - 0 0 75 -2,-0.3 3,-1.7 1,-0.2 7,-0.3 -0.692 41.2-170.6 -80.8 103.7 43.5 -9.8 14.9 191 484 A L T 3 S+ 0 0 5 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.715 83.6 62.8 -70.2 -18.0 40.4 -8.6 13.1 192 485 A N T 3 S+ 0 0 108 -3,-0.1 2,-0.7 1,-0.0 -1,-0.3 0.560 86.8 85.8 -76.0 -12.5 40.6 -11.6 10.8 193 486 A S <> - 0 0 28 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 -0.842 61.2-164.8 -97.3 113.9 40.1 -13.9 13.8 194 487 A R H > S+ 0 0 66 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.797 90.8 57.4 -66.8 -26.5 36.4 -14.4 14.6 195 488 A D H > S+ 0 0 47 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.904 109.3 44.5 -69.2 -41.6 37.4 -15.8 18.1 196 489 A Q H > S+ 0 0 67 -6,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.940 114.5 49.0 -67.8 -44.7 39.3 -12.6 18.9 197 490 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 -7,-0.3 5,-0.3 0.874 104.7 59.3 -59.7 -40.4 36.4 -10.5 17.6 198 491 A E H X>S+ 0 0 19 -4,-2.3 4,-2.4 1,-0.2 5,-0.6 0.906 106.5 48.6 -55.3 -43.4 33.8 -12.5 19.6 199 492 A R H X>S+ 0 0 122 -4,-1.4 5,-1.7 3,-0.2 4,-1.1 0.875 111.7 48.2 -67.1 -38.1 35.6 -11.5 22.8 200 493 A V H <>S+ 0 0 3 -4,-1.6 5,-2.6 3,-0.2 4,-0.3 0.947 118.1 39.5 -67.3 -46.6 35.8 -7.8 21.9 201 494 A L H <5S+ 0 0 0 -4,-2.8 6,-2.5 3,-0.2 -2,-0.2 0.945 129.6 24.5 -69.1 -50.1 32.1 -7.6 20.9 202 495 A F H <5S+ 0 0 15 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.767 132.3 32.0 -95.6 -27.6 30.5 -9.7 23.5 203 496 A D T < - 0 0 39 5,-2.6 4,-1.1 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