==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 11-APR-12 4ELU . 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) . 24333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 70.7 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 9.5 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 . 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 . 21 3.9 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 . 233 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 1 1 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 . 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 1 294 A L 0 0 117 0, 0.0 2,-0.3 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 137.9 46.8 -58.3 -17.3 2 295 A E E -a 38 0A 121 35,-1.9 37,-2.2 1,-0.1 2,-0.3 -0.544 360.0-120.6 -71.4 127.5 49.4 -59.3 -19.9 3 296 A E E -a 39 0A 144 -2,-0.3 37,-0.2 35,-0.2 -1,-0.1 -0.546 36.0-178.3 -72.1 129.5 51.8 -56.5 -20.6 4 297 A A E -a 40 0A 14 35,-2.6 37,-0.6 -2,-0.3 34,-0.0 -0.948 31.3 -93.2-129.7 149.5 51.9 -55.5 -24.3 5 298 A P - 0 0 112 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.226 57.8 -76.0 -59.2 146.1 53.9 -52.9 -26.2 6 299 A W S S+ 0 0 37 35,-0.4 35,-0.1 2,-0.0 26,-0.0 -0.529 98.0 64.5 -68.0 147.9 52.6 -49.4 -26.8 7 300 A P S S- 0 0 78 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.594 71.5-148.1 -84.2 162.6 50.5 -48.4 -28.7 8 301 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.391 26.6 -96.4 -82.3 167.0 47.1 -50.0 -27.7 9 302 A P > - 0 0 65 0, 0.0 3,-1.3 0, 0.0 25,-0.1 -0.366 54.6 -78.3 -76.7 166.6 44.4 -50.9 -30.2 10 303 A E T 3 S+ 0 0 148 1,-0.2 3,-0.1 -2,-0.1 42,-0.0 -0.347 116.8 35.1 -65.8 146.3 41.5 -48.5 -30.7 11 304 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.2 43,-0.1 23,-0.0 0.387 83.3 143.6 90.4 -2.4 38.8 -48.5 -28.1 12 305 A A < - 0 0 11 -3,-1.3 2,-0.4 23,-0.1 -1,-0.3 -0.301 52.7-117.2 -65.1 153.5 41.3 -49.2 -25.3 13 306 A F E -B 34 0A 12 21,-2.7 21,-2.3 -3,-0.1 2,-0.2 -0.790 29.6-134.0 -92.7 138.1 40.6 -47.5 -21.9 14 307 A V E -B 33 0A 0 42,-3.3 44,-0.4 -2,-0.4 2,-0.4 -0.620 18.4-171.8 -94.8 150.9 43.2 -45.0 -20.7 15 308 A G E +B 32 0A 3 17,-2.6 17,-3.0 -2,-0.2 2,-0.3 -0.986 16.0 170.8-130.7 141.8 44.9 -44.6 -17.4 16 309 A F E -B 31 0A 7 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.995 24.1-143.8-152.1 151.2 47.1 -41.6 -16.6 17 310 A V E -B 30 0A 12 13,-2.0 12,-2.1 -2,-0.3 13,-1.3 -0.983 14.8-160.8-122.0 130.9 48.9 -40.0 -13.7 18 311 A L E -B 28 0A 27 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.812 25.4-130.5-108.7 147.8 49.3 -36.2 -13.3 19 312 A S S S+ 0 0 64 8,-2.2 2,-0.3 -2,-0.3 9,-0.1 0.730 96.8 8.7 -67.4 -21.8 51.8 -34.3 -11.1 20 313 A R S S- 0 0 115 7,-0.2 -1,-0.1 2,-0.1 6,-0.1 -0.970 83.7-105.7-155.6 160.0 48.8 -32.3 -9.8 21 314 A K S S+ 0 0 128 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.761 94.5 84.6 -64.6 -29.3 45.1 -32.4 -10.1 22 315 A E >> - 0 0 28 1,-0.2 3,-1.9 2,-0.1 4,-1.3 -0.661 65.0-156.4 -82.8 113.0 44.7 -29.4 -12.5 23 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.764 91.3 58.7 -61.6 -29.0 45.2 -30.6 -16.1 24 317 A M T 34 S+ 0 0 6 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.713 119.2 30.8 -70.5 -16.6 46.1 -27.1 -17.4 25 318 A W T <4 S+ 0 0 77 -3,-1.9 -1,-0.2 -5,-0.1 2,-0.1 0.504 98.5 108.2-115.9 -8.6 49.0 -27.1 -14.9 26 319 A A < - 0 0 2 -4,-1.3 2,-0.5 -6,-0.1 -5,-0.1 -0.389 61.3-134.7 -81.2 149.1 50.0 -30.8 -14.6 27 320 A D - 0 0 75 -2,-0.1 -8,-2.2 0, 0.0 2,-1.0 -0.852 28.4-125.6 -88.6 130.1 52.9 -32.7 -15.9 28 321 A L E +B 18 0A 3 -2,-0.5 -10,-0.2 -10,-0.2 18,-0.2 -0.731 35.0 176.5 -78.0 102.4 51.7 -35.9 -17.5 29 322 A L E + 0 0 94 -12,-2.1 2,-0.3 -2,-1.0 -1,-0.2 0.825 59.3 2.2 -82.3 -34.1 53.8 -38.4 -15.5 30 323 A A E -B 17 0A 30 -13,-1.3 -13,-2.0 14,-0.1 2,-0.3 -0.996 55.3-168.6-154.7 153.1 52.5 -41.7 -16.9 31 324 A L E +B 16 0A 2 11,-0.4 11,-2.6 -2,-0.3 2,-0.3 -0.996 14.5 162.8-145.9 136.3 50.1 -43.0 -19.5 32 325 A A E -BC 15 41A 0 -17,-3.0 -17,-2.6 -2,-0.3 2,-0.3 -0.954 18.4-149.9-147.3 166.0 48.7 -46.5 -20.1 33 326 A A E -BC 14 40A 0 7,-2.4 7,-3.6 -2,-0.3 2,-0.4 -0.987 5.8-156.6-142.6 152.7 45.9 -48.2 -21.9 34 327 A A E +BC 13 39A 0 -21,-2.3 -21,-2.7 -2,-0.3 2,-0.2 -0.992 25.3 134.9-135.7 135.5 43.9 -51.4 -21.3 35 328 A R E > + C 0 38A 110 3,-1.9 3,-0.9 -2,-0.4 -23,-0.1 -0.851 64.3 12.9-173.4 139.0 41.9 -53.7 -23.6 36 329 A G T 3 S- 0 0 70 1,-0.3 3,-0.1 -2,-0.2 -24,-0.0 0.808 128.1 -54.8 65.4 31.8 41.5 -57.4 -24.3 37 330 A G T 3 S+ 0 0 37 1,-0.3 -35,-1.9 -36,-0.1 2,-0.3 0.738 116.1 111.1 72.8 22.9 43.3 -58.5 -21.2 38 331 A R E < -aC 2 35A 99 -3,-0.9 -3,-1.9 -37,-0.2 2,-0.4 -0.933 53.3-154.4-123.1 151.8 46.3 -56.5 -22.1 39 332 A V E -aC 3 34A 6 -37,-2.2 -35,-2.6 -2,-0.3 2,-0.6 -0.997 7.8-160.3-124.4 128.6 47.9 -53.4 -20.6 40 333 A H E -aC 4 33A 11 -7,-3.6 -7,-2.4 -2,-0.4 2,-0.5 -0.935 5.6-161.6-111.5 115.6 50.0 -51.1 -22.7 41 334 A R E - C 0 32A 93 -2,-0.6 -35,-0.4 -37,-0.6 -9,-0.2 -0.861 17.3-129.1-102.2 126.3 52.3 -48.8 -20.8 42 335 A A - 0 0 16 -11,-2.6 -11,-0.4 -2,-0.5 4,-0.1 -0.555 7.4-156.5 -75.2 125.5 53.7 -45.7 -22.7 43 336 A P S S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.893 93.8 25.3 -65.3 -39.3 57.5 -45.3 -22.5 44 337 A E S > S- 0 0 131 1,-0.1 4,-2.3 -3,-0.1 3,-0.3 -0.853 76.1-161.6-131.8 95.7 57.1 -41.6 -23.1 45 338 A P H > S+ 0 0 22 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.797 85.0 49.8 -46.0 -49.3 53.7 -40.2 -22.0 46 339 A Y H >> S+ 0 0 69 -18,-0.2 4,-0.6 1,-0.2 3,-0.5 0.940 115.1 41.4 -64.6 -49.0 53.7 -37.0 -24.0 47 340 A K H >4 S+ 0 0 149 -3,-0.3 3,-1.1 1,-0.2 -1,-0.2 0.873 111.6 58.2 -64.1 -35.6 54.6 -38.5 -27.4 48 341 A A H >< S+ 0 0 3 -4,-2.3 3,-1.9 1,-0.3 4,-0.4 0.768 90.7 71.0 -68.4 -25.2 52.3 -41.4 -26.7 49 342 A L H X< S+ 0 0 2 -4,-1.4 3,-1.4 -3,-0.5 -1,-0.3 0.846 88.8 64.0 -54.4 -36.2 49.4 -39.0 -26.3 50 343 A R T << S+ 0 0 130 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.601 93.7 62.6 -67.4 -11.6 49.6 -38.4 -30.1 51 344 A D T < S+ 0 0 89 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.2 0.625 83.9 94.6 -86.8 -16.1 48.7 -42.1 -30.6 52 345 A L < - 0 0 28 -3,-1.4 3,-0.1 -4,-0.4 -42,-0.1 -0.542 52.4-165.0 -86.5 143.6 45.2 -41.9 -29.1 53 346 A K S S- 0 0 122 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.775 79.2 -3.6 -91.2 -32.0 42.0 -41.4 -31.0 54 347 A E S S- 0 0 59 20,-0.2 2,-0.8 2,-0.1 -1,-0.4 -0.983 70.8-111.3-154.1 155.7 40.0 -40.5 -27.9 55 348 A A B +d 76 0B 0 20,-2.7 22,-3.4 -2,-0.3 2,-0.5 -0.849 40.8 176.1 -91.3 112.6 40.4 -40.4 -24.2 56 349 A R + 0 0 36 -2,-0.8 -42,-3.3 -44,-0.3 2,-0.3 -0.958 37.2 45.4-122.7 112.5 38.2 -43.2 -22.8 57 350 A G S > S- 0 0 0 21,-2.3 3,-1.5 -2,-0.5 4,-0.2 -0.949 92.2 -11.2 151.8-172.1 38.3 -43.9 -19.1 58 351 A L T 3 S+ 0 0 3 -44,-0.4 58,-0.1 54,-0.3 21,-0.0 -0.358 129.8 2.3 -59.2 135.6 38.2 -42.4 -15.6 59 352 A L T >> S+ 0 0 46 1,-0.1 4,-1.3 3,-0.1 3,-0.9 0.813 80.6 164.2 54.9 36.1 38.5 -38.6 -15.7 60 353 A A H <> + 0 0 1 -3,-1.5 4,-2.2 1,-0.3 3,-0.2 0.867 67.9 60.3 -50.0 -43.7 38.7 -38.7 -19.5 61 354 A K H 3> S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.881 100.0 55.2 -54.4 -41.3 38.0 -34.9 -19.7 62 355 A D H <> S+ 0 0 9 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.905 108.7 46.5 -62.9 -42.1 41.1 -34.1 -17.7 63 356 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.906 111.5 53.5 -65.5 -38.3 43.4 -36.0 -20.1 64 357 A S H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 10,-0.3 0.896 106.8 51.5 -61.0 -42.1 41.5 -34.3 -23.0 65 358 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.923 110.3 48.3 -61.9 -44.0 42.2 -30.9 -21.5 66 359 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.896 111.8 50.3 -64.6 -38.1 45.9 -31.6 -21.2 67 360 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 -2,-0.2 0.931 109.8 49.6 -65.2 -43.7 46.0 -32.9 -24.8 68 361 A L H ><5S+ 0 0 35 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.901 106.3 57.3 -60.5 -40.4 44.3 -29.7 -26.0 69 362 A R H 3<5S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.891 106.8 49.1 -54.2 -39.3 46.8 -27.7 -24.0 70 363 A E T 3<5S- 0 0 45 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.344 126.0-102.7 -86.9 7.1 49.5 -29.5 -26.0 71 364 A G T < 5S+ 0 0 68 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.741 79.5 132.1 81.1 24.1 47.7 -28.7 -29.3 72 365 A L < - 0 0 31 -5,-2.7 2,-1.8 -8,-0.1 -1,-0.3 -0.933 56.1-138.1-109.8 130.3 46.2 -32.2 -29.8 73 366 A G + 0 0 76 -2,-0.5 -5,-0.1 -3,-0.1 -9,-0.1 -0.485 43.4 155.3 -86.8 70.3 42.5 -32.6 -30.7 74 367 A L - 0 0 6 -2,-1.8 -6,-0.2 -10,-0.3 -7,-0.2 -0.832 28.0-154.9-103.3 102.5 41.9 -35.5 -28.4 75 368 A P - 0 0 60 0, 0.0 -20,-2.7 0, 0.0 2,-0.2 -0.448 16.5-118.1 -78.8 147.3 38.2 -35.7 -27.4 76 369 A P B +d 55 0B 11 0, 0.0 -20,-0.2 0, 0.0 70,-0.2 -0.578 37.4 173.2 -78.9 143.9 37.0 -37.4 -24.2 77 370 A G + 0 0 6 -22,-3.4 -16,-0.1 1,-0.4 -21,-0.1 -0.064 48.0 4.3-120.6-133.8 34.7 -40.4 -24.6 78 371 A D - 0 0 17 -2,-0.1 -21,-2.3 -22,-0.1 -1,-0.4 -0.201 59.5-178.6 -57.5 142.6 33.2 -42.9 -22.2 79 372 A D >> - 0 0 13 -23,-0.2 3,-1.2 -3,-0.1 4,-1.1 -0.924 25.7-149.2-146.6 116.9 34.0 -42.2 -18.5 80 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.762 96.7 68.4 -59.3 -26.3 32.8 -44.5 -15.7 81 374 A M H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.888 99.4 49.7 -57.2 -39.3 32.6 -41.5 -13.4 82 375 A L H <> S+ 0 0 3 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.874 110.6 48.6 -70.4 -39.1 29.7 -40.2 -15.5 83 376 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.933 114.3 46.3 -62.8 -46.7 27.8 -43.5 -15.3 84 377 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 7,-0.3 0.906 110.8 52.3 -63.9 -40.4 28.4 -43.7 -11.6 85 378 A Y H < S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 109.5 49.5 -66.9 -35.0 27.3 -40.1 -11.0 86 379 A L H < S+ 0 0 2 -4,-1.8 348,-0.5 1,-0.2 -1,-0.2 0.849 109.7 51.6 -71.3 -36.2 24.1 -40.7 -13.0 87 380 A L H < S- 0 0 19 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.873 138.9 -9.1 -63.6 -37.0 23.3 -43.8 -10.9 88 381 A D >< - 0 0 19 -4,-2.0 3,-2.5 -5,-0.1 -1,-0.3 -0.782 61.3-146.1-165.9 111.7 23.8 -41.8 -7.7 89 382 A P T 3 S+ 0 0 7 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.534 94.7 77.5 -70.4 -3.0 25.2 -38.3 -7.6 90 383 A S T 3 S+ 0 0 81 -6,-0.1 2,-1.4 1,-0.1 3,-0.2 0.592 72.7 93.2 -72.5 -11.4 26.9 -39.0 -4.2 91 384 A N < + 0 0 8 -3,-2.5 -3,-0.1 -7,-0.3 -1,-0.1 -0.690 47.5 137.1 -78.8 90.0 29.4 -40.8 -6.6 92 385 A T + 0 0 59 -2,-1.4 -1,-0.2 1,-0.1 182,-0.2 0.573 49.6 52.9-116.3 -16.0 31.8 -37.9 -6.9 93 386 A T > - 0 0 56 -3,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.938 68.9-131.4-127.8 149.6 35.3 -39.2 -6.6 94 387 A P H > S+ 0 0 16 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.860 110.0 59.1 -64.3 -32.9 37.3 -42.0 -8.4 95 388 A E H > S+ 0 0 101 2,-0.2 4,-1.7 1,-0.2 10,-0.2 0.926 112.7 37.5 -57.6 -46.1 38.4 -43.2 -5.0 96 389 A G H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 115.7 51.5 -76.2 -41.2 34.8 -43.8 -3.9 97 390 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.905 109.9 51.1 -64.0 -40.6 33.5 -45.0 -7.3 98 391 A A H X>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.2 4,-2.0 0.941 111.3 46.7 -59.9 -49.6 36.4 -47.6 -7.4 99 392 A R H <5S+ 0 0 175 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.872 117.5 43.8 -61.2 -36.3 35.6 -48.9 -3.9 100 393 A R H <5S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.829 123.4 31.4 -79.4 -32.6 31.9 -49.1 -4.7 101 394 A Y H <5S- 0 0 9 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.400 127.7 -53.4-120.1 1.5 32.0 -50.6 -8.2 102 395 A G T <5S+ 0 0 39 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.728 94.0 13.8 139.7 38.1 35.1 -52.9 -8.4 103 396 A G < - 0 0 25 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.3 -0.964 69.0 -76.1 176.0-154.9 38.6 -51.8 -7.6 104 397 A E - 0 0 105 -2,-0.3 2,-0.8 7,-0.1 11,-0.1 -0.999 29.7-127.8-140.7 131.8 41.0 -49.4 -6.0 105 398 A W + 0 0 36 -2,-0.4 2,-0.1 -10,-0.2 7,-0.1 -0.719 43.2 171.1 -79.4 111.9 42.2 -46.0 -7.3 106 399 A T - 0 0 27 -2,-0.8 -1,-0.0 2,-0.2 -11,-0.0 -0.370 45.0-106.0-111.1-169.3 46.0 -46.2 -7.1 107 400 A E S S+ 0 0 137 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 0.014 86.2 95.1-111.8 27.0 48.8 -44.0 -8.3 108 401 A E > - 0 0 56 1,-0.1 4,-2.0 -92,-0.1 -2,-0.2 -0.975 66.5-142.6-123.3 133.3 49.9 -46.1 -11.3 109 402 A A H > S+ 0 0 2 -2,-0.4 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53.9 -66.2 -37.4 43.7 -5.9 -10.5 164 457 A R H X S+ 0 0 107 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.922 111.9 45.5 -60.1 -44.7 47.2 -5.1 -9.2 165 458 A A H X S+ 0 0 51 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.908 111.0 52.9 -65.3 -40.8 46.3 -1.4 -9.1 166 459 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.884 102.3 59.9 -63.2 -38.2 43.0 -2.2 -7.4 167 460 A S H X S+ 0 0 16 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.910 102.7 51.4 -56.9 -45.2 44.8 -4.2 -4.7 168 461 A L H X S+ 0 0 123 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.875 111.6 47.2 -61.3 -38.7 46.9 -1.2 -3.6 169 462 A E H X S+ 0 0 97 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.919 113.1 47.4 -69.4 -43.5 43.7 1.0 -3.3 170 463 A V H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.879 106.4 58.6 -68.1 -37.0 41.8 -1.6 -1.3 171 464 A A H X S+ 0 0 41 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.909 104.9 50.6 -58.1 -42.9 44.7 -2.3 1.0 172 465 A E H X S+ 0 0 124 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.889 112.2 46.6 -64.0 -38.8 44.7 1.4 2.0 173 466 A E H X S+ 0 0 64 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.891 109.0 54.1 -71.0 -37.5 41.0 1.3 2.8 174 467 A I H X S+ 0 0 17 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.908 106.9 53.3 -60.8 -38.3 41.3 -1.9 4.7 175 468 A A H X S+ 0 0 41 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.908 106.9 50.9 -65.0 -41.6 43.9 -0.2 6.8 176 469 A R H X S+ 0 0 135 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.918 113.5 45.8 -61.0 -43.1 41.6 2.7 7.6 177 470 A L H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.940 113.1 47.2 -66.7 -48.3 38.8 0.3 8.7 178 471 A E H X S+ 0 0 63 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.914 110.7 52.3 -63.3 -40.7 41.0 -2.0 10.8 179 472 A A H X S+ 0 0 57 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.884 110.7 48.4 -62.7 -37.6 42.6 1.0 12.6 180 473 A E H X S+ 0 0 64 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.885 109.5 52.4 -72.3 -36.4 39.2 2.4 13.4 181 474 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.934 111.4 46.5 -62.2 -45.1 38.0 -1.0 14.7 182 475 A F H X>S+ 0 0 45 -4,-2.6 4,-1.9 2,-0.2 5,-1.0 0.893 109.9 54.3 -64.2 -39.4 41.1 -1.2 17.0 183 476 A R H <5S+ 0 0 147 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.913 112.6 43.6 -59.4 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92.3-126.2-120.5 -3.9 30.8 -25.7 18.3 217 510 A G < + 0 0 38 -4,-0.8 -3,-0.1 1,-0.2 2,-0.1 0.763 50.0 156.8 66.9 26.9 28.1 -23.4 19.7 218 511 A K - 0 0 72 1,-0.1 -5,-2.6 -6,-0.1 2,-0.5 -0.414 57.7 -88.9 -74.6 160.0 30.3 -20.3 19.8 219 512 A R B -H 212 0E 59 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.634 55.0-121.5 -71.1 119.0 28.6 -16.8 19.7 220 513 A S - 0 0 18 -9,-2.6 -10,-0.3 -2,-0.5 -9,-0.3 -0.283 28.3-172.7 -69.1 143.5 28.3 -16.1 16.0 221 514 A T + 0 0 6 -11,-0.1 -1,-0.1 -12,-0.1 5,-0.1 0.002 38.0 144.9-116.7 26.1 29.9 -13.0 14.4 222 515 A S > - 0 0 49 1,-0.1 4,-2.7 3,-0.1 3,-0.5 -0.146 66.9-104.0 -62.7 159.9 28.3 -13.7 11.0 223 516 A A H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 122.5 56.0 -51.8 -39.4 27.2 -10.8 8.8 224 517 A A H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.906 109.5 45.2 -61.5 -42.4 23.5 -11.5 9.8 225 518 A V H > S+ 0 0 8 -3,-0.5 4,-1.0 2,-0.2 -2,-0.2 0.937 113.7 49.5 -65.2 -45.4 24.4 -11.1 13.5 226 519 A L H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 4,-0.4 0.896 107.0 56.2 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