==== 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 23-AUG-10 3OJS . 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) . 24298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.3 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 . 24 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.7 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 . 17 3.2 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 3 2 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 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 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 0 108 0, 0.0 2,-0.4 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 147.2 47.5 -58.2 -17.3 2 295 A E E -a 38 0A 124 35,-2.1 37,-2.1 1,-0.1 2,-0.3 -0.559 360.0-123.4 -73.9 123.5 50.0 -59.1 -20.0 3 296 A E E +a 39 0A 128 -2,-0.4 37,-0.2 35,-0.2 -1,-0.1 -0.536 37.3 178.2 -68.8 126.3 52.6 -56.4 -20.5 4 297 A A E -a 40 0A 16 35,-2.6 37,-0.6 -2,-0.3 34,-0.0 -0.994 30.1-103.3-135.9 140.5 52.5 -55.2 -24.1 5 298 A P E -a 41 0A 111 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.146 56.8 -65.0 -59.7 150.9 54.6 -52.4 -25.8 6 299 A W S S+ 0 0 38 35,-0.5 35,-0.0 2,-0.0 26,-0.0 -0.457 97.8 59.2 -67.1 150.4 53.1 -49.0 -26.6 7 300 A P - 0 0 74 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.599 69.9-144.4 -93.1 166.8 50.9 -48.1 -28.4 8 301 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.406 27.9 -96.9 -81.8 161.4 47.6 -49.7 -27.5 9 302 A P > - 0 0 64 0, 0.0 3,-1.2 0, 0.0 2,-0.1 -0.268 56.8 -79.9 -67.1 166.7 44.9 -50.7 -30.0 10 303 A E T 3 S+ 0 0 140 1,-0.2 3,-0.1 42,-0.1 42,-0.0 -0.386 116.6 35.2 -70.7 148.1 42.1 -48.2 -30.5 11 304 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.2 43,-0.1 44,-0.0 0.368 83.6 144.4 90.2 -5.1 39.3 -48.3 -27.9 12 305 A A < - 0 0 13 -3,-1.2 2,-0.4 23,-0.1 44,-0.4 -0.285 53.4-115.5 -61.1 151.0 41.8 -49.0 -25.1 13 306 A F E -B 34 0A 13 21,-2.8 21,-2.4 -3,-0.1 2,-0.3 -0.742 30.8-139.2 -89.6 138.2 41.1 -47.5 -21.7 14 307 A V E -B 33 0A 3 42,-2.9 44,-0.4 -2,-0.4 2,-0.3 -0.689 16.7-170.8-100.5 150.4 43.7 -45.0 -20.5 15 308 A G E +B 32 0A 2 17,-2.5 17,-2.8 -2,-0.3 2,-0.3 -0.965 15.6 171.7-127.4 150.5 45.2 -44.4 -17.1 16 309 A F E -B 31 0A 6 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.990 24.1-142.0-159.7 150.7 47.4 -41.4 -16.4 17 310 A V E -B 30 0A 12 13,-1.9 12,-2.1 -2,-0.3 13,-1.2 -0.980 14.7-161.4-123.9 124.3 49.1 -39.7 -13.4 18 311 A L E -B 28 0A 28 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.752 24.4-131.3-101.2 152.9 49.3 -35.9 -13.1 19 312 A S S S+ 0 0 64 8,-2.1 2,-0.3 -2,-0.3 9,-0.1 0.723 95.7 11.3 -75.2 -21.1 51.8 -34.1 -10.8 20 313 A R S S- 0 0 113 7,-0.2 -1,-0.2 2,-0.1 6,-0.1 -0.977 83.8-107.7-152.5 159.9 48.9 -32.0 -9.5 21 314 A K S S+ 0 0 125 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.767 93.4 86.0 -65.4 -28.1 45.1 -32.1 -9.9 22 315 A E >> - 0 0 28 1,-0.2 3,-1.6 2,-0.1 4,-1.5 -0.620 65.0-156.3 -80.8 113.1 44.7 -29.2 -12.3 23 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.753 91.5 56.8 -65.8 -23.7 45.2 -30.4 -15.9 24 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.694 119.4 32.9 -73.8 -17.6 46.2 -26.9 -17.3 25 318 A W T <4 S+ 0 0 75 -3,-1.6 -1,-0.2 -5,-0.1 2,-0.1 0.542 98.2 107.6-112.7 -10.8 49.0 -26.9 -14.7 26 319 A A < - 0 0 3 -4,-1.5 2,-0.5 -6,-0.1 -5,-0.0 -0.360 61.2-135.6 -80.6 147.8 50.0 -30.5 -14.4 27 320 A D - 0 0 74 -2,-0.1 -8,-2.1 0, 0.0 2,-1.1 -0.844 28.4-126.3 -87.0 130.2 53.0 -32.4 -15.6 28 321 A L E +B 18 0A 2 -2,-0.5 18,-0.3 -10,-0.2 -10,-0.2 -0.742 32.4 180.0 -79.4 101.4 51.9 -35.7 -17.1 29 322 A L E - 0 0 93 -12,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.854 60.0 -4.3 -75.8 -38.1 54.0 -38.1 -15.1 30 323 A A E -B 17 0A 34 -13,-1.2 -13,-1.9 -3,-0.1 2,-0.3 -0.987 55.7-163.8-156.1 162.7 52.9 -41.3 -16.7 31 324 A L E +B 16 0A 3 11,-0.3 11,-2.3 -2,-0.3 2,-0.3 -0.988 15.1 161.6-153.9 135.4 50.4 -42.7 -19.2 32 325 A A E -BC 15 41A 1 -17,-2.8 -17,-2.5 -2,-0.3 2,-0.3 -0.935 18.3-149.5-148.5 168.3 49.1 -46.2 -19.9 33 326 A A E -BC 14 40A 0 7,-2.2 7,-2.8 -2,-0.3 2,-0.4 -0.987 5.9-156.7-144.6 158.2 46.2 -48.0 -21.6 34 327 A A E +BC 13 39A 0 -21,-2.4 -21,-2.8 -2,-0.3 2,-0.3 -0.993 23.6 139.0-140.7 135.6 44.4 -51.3 -21.1 35 328 A R E > + C 0 38A 108 3,-1.7 3,-1.7 -2,-0.4 -23,-0.1 -0.885 62.1 7.8-172.6 141.9 42.4 -53.6 -23.4 36 329 A G T 3 S- 0 0 56 1,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.813 128.8 -49.7 56.1 36.8 41.7 -57.2 -24.2 37 330 A G T 3 S+ 0 0 40 1,-0.3 -35,-2.1 -36,-0.1 2,-0.3 0.631 117.4 107.2 79.2 14.3 43.8 -58.5 -21.2 38 331 A R E < -aC 2 35A 112 -3,-1.7 -3,-1.7 -37,-0.2 2,-0.4 -0.836 51.4-158.0-119.9 159.5 46.8 -56.4 -22.0 39 332 A V E -aC 3 34A 5 -37,-2.1 -35,-2.6 -2,-0.3 2,-0.5 -0.985 8.7-164.1-135.1 127.6 48.3 -53.3 -20.5 40 333 A H E -aC 4 33A 10 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.5 -0.945 4.5-157.4-113.1 130.5 50.6 -51.0 -22.4 41 334 A R E -aC 5 32A 92 -37,-0.6 -35,-0.5 -2,-0.5 -9,-0.2 -0.927 18.3-126.5-114.0 125.3 52.8 -48.4 -20.7 42 335 A A - 0 0 14 -11,-2.3 -11,-0.3 -2,-0.5 4,-0.1 -0.513 7.5-150.2 -69.4 125.1 54.1 -45.4 -22.5 43 336 A P S S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.930 95.2 17.0 -58.2 -47.2 57.9 -45.0 -22.4 44 337 A E S > S- 0 0 82 1,-0.1 4,-2.0 -3,-0.0 5,-0.2 -0.957 77.8-156.1-129.7 112.9 57.5 -41.2 -22.6 45 338 A P H > S+ 0 0 15 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.875 86.8 53.5 -62.0 -46.0 53.9 -40.0 -21.8 46 339 A Y H > S+ 0 0 51 -18,-0.3 4,-0.5 1,-0.2 3,-0.5 0.934 114.2 42.8 -55.1 -47.7 53.9 -36.6 -23.6 47 340 A K H >4 S+ 0 0 147 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.895 110.0 57.7 -64.5 -40.0 54.9 -38.2 -26.9 48 341 A A H >< S+ 0 0 2 -4,-2.0 3,-1.9 1,-0.3 4,-0.5 0.757 89.4 73.8 -65.6 -25.6 52.6 -41.1 -26.4 49 342 A L H >< S+ 0 0 2 -4,-1.6 3,-1.3 -3,-0.5 -1,-0.3 0.858 88.2 62.8 -52.7 -37.6 49.6 -38.8 -26.1 50 343 A R T << S+ 0 0 129 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.657 94.6 61.1 -64.1 -19.5 49.9 -38.3 -29.9 51 344 A D T < S+ 0 0 76 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.3 0.651 87.2 90.0 -83.6 -17.9 49.1 -42.0 -30.5 52 345 A L < - 0 0 27 -3,-1.3 3,-0.1 -4,-0.5 -42,-0.1 -0.589 52.6-167.9 -85.3 142.5 45.6 -41.9 -28.8 53 346 A K S S+ 0 0 148 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.660 77.8 7.6 -94.9 -21.1 42.5 -41.1 -30.8 54 347 A E - 0 0 79 20,-0.2 2,-0.9 -42,-0.1 -1,-0.3 -0.984 69.3-120.2-161.5 143.8 40.3 -40.6 -27.7 55 348 A A B +d 76 0B 0 20,-2.3 22,-3.0 -2,-0.3 2,-0.5 -0.856 39.5 174.1 -93.2 105.7 40.7 -40.4 -23.9 56 349 A R + 0 0 43 -2,-0.9 -42,-2.9 -44,-0.4 2,-0.3 -0.951 37.5 45.7-117.4 115.0 38.5 -43.2 -22.6 57 350 A G S > S- 0 0 0 21,-2.3 3,-1.5 -2,-0.5 24,-0.1 -0.948 93.2 -9.4 148.8-170.4 38.6 -43.9 -18.9 58 351 A L T 3 S+ 0 0 3 -44,-0.4 58,-0.1 54,-0.3 21,-0.0 -0.316 129.5 1.5 -62.0 137.0 38.5 -42.4 -15.4 59 352 A L T >> S+ 0 0 45 1,-0.1 4,-1.4 3,-0.1 3,-0.8 0.816 79.0 165.4 52.0 39.2 38.7 -38.5 -15.5 60 353 A A H <> + 0 0 1 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.858 68.9 59.9 -50.4 -41.2 38.9 -38.6 -19.4 61 354 A K H 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.888 100.9 53.3 -59.0 -41.4 38.1 -34.9 -19.5 62 355 A D H <> S+ 0 0 8 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.908 110.5 45.7 -63.8 -41.1 41.2 -33.9 -17.4 63 356 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.912 112.4 53.0 -67.3 -37.4 43.6 -35.8 -19.8 64 357 A S H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 10,-0.3 0.907 107.3 50.6 -63.5 -42.2 41.8 -34.3 -22.7 65 358 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.910 110.1 50.5 -60.5 -41.2 42.3 -30.8 -21.3 66 359 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.918 110.5 50.0 -64.6 -37.7 46.0 -31.5 -20.9 67 360 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 3,-0.4 0.910 108.8 50.4 -67.5 -43.6 46.1 -32.7 -24.5 68 361 A L H ><5S+ 0 0 37 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.874 105.6 57.8 -60.3 -37.7 44.4 -29.6 -25.8 69 362 A R H 3<5S+ 0 0 34 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 106.0 50.4 -60.7 -32.7 46.9 -27.6 -23.8 70 363 A E T 3<5S- 0 0 49 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.292 125.9-101.2 -91.2 8.9 49.7 -29.4 -25.8 71 364 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.635 81.6 130.6 85.0 15.2 48.0 -28.6 -29.2 72 365 A L < - 0 0 32 -5,-2.7 2,-1.8 -6,-0.1 -1,-0.3 -0.896 56.2-140.3-108.3 126.8 46.5 -32.1 -29.5 73 366 A G + 0 0 74 -2,-0.5 -5,-0.1 -3,-0.1 -9,-0.1 -0.549 42.9 153.0 -82.9 77.2 42.8 -32.6 -30.5 74 367 A L - 0 0 5 -2,-1.8 -6,-0.2 -10,-0.3 -20,-0.2 -0.873 28.6-157.0-110.9 100.0 42.2 -35.5 -28.1 75 368 A P - 0 0 62 0, 0.0 -20,-2.3 0, 0.0 2,-0.2 -0.483 17.9-114.7 -81.8 148.6 38.5 -35.7 -27.2 76 369 A P B +d 55 0B 11 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.540 37.8 173.7 -75.7 146.0 37.2 -37.4 -24.0 77 370 A G + 0 0 3 -22,-3.0 -16,-0.1 1,-0.5 -20,-0.1 -0.071 49.5 3.1-121.6-136.4 35.0 -40.4 -24.5 78 371 A D - 0 0 15 -2,-0.1 -21,-2.3 -22,-0.1 -1,-0.5 -0.192 60.1-176.7 -54.4 142.6 33.5 -42.9 -22.0 79 372 A D >> - 0 0 11 -23,-0.2 3,-1.3 -3,-0.1 4,-1.2 -0.922 25.0-149.0-143.4 115.2 34.3 -42.2 -18.4 80 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.816 97.3 67.5 -55.6 -29.9 33.2 -44.5 -15.6 81 374 A M H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.894 99.8 49.2 -53.2 -42.1 32.9 -41.5 -13.3 82 375 A L H <> S+ 0 0 2 -3,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.868 110.5 50.1 -69.2 -35.8 30.0 -40.2 -15.4 83 376 A L H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.944 114.1 44.3 -63.7 -48.3 28.3 -43.6 -15.2 84 377 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 7,-0.3 0.896 110.7 54.7 -64.8 -38.7 28.6 -43.8 -11.4 85 378 A Y H < S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.861 108.6 48.3 -65.5 -36.7 27.6 -40.2 -11.0 86 379 A L H < S+ 0 0 1 -4,-1.6 348,-0.6 1,-0.2 -1,-0.2 0.860 110.6 51.5 -69.9 -38.0 24.3 -40.8 -12.9 87 380 A L H < S- 0 0 20 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.888 138.9 -9.0 -63.4 -38.1 23.7 -44.0 -10.8 88 381 A D >< - 0 0 17 -4,-2.2 3,-2.3 -5,-0.1 -1,-0.3 -0.810 61.6-147.4-164.3 112.7 24.2 -42.0 -7.6 89 382 A P T 3 S+ 0 0 7 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.544 93.8 76.1 -73.6 -2.2 25.5 -38.4 -7.5 90 383 A S T 3 S+ 0 0 80 -6,-0.1 2,-1.4 1,-0.1 3,-0.2 0.541 72.7 95.3 -75.9 -4.9 27.2 -39.0 -4.2 91 384 A N < + 0 0 9 -3,-2.3 -3,-0.1 -7,-0.3 -1,-0.1 -0.685 46.4 137.8 -80.0 89.3 29.7 -40.8 -6.4 92 385 A T + 0 0 56 -2,-1.4 -1,-0.2 183,-0.1 182,-0.2 0.548 49.7 54.2-116.4 -15.0 32.0 -37.8 -6.8 93 386 A T > - 0 0 56 -3,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.934 67.9-133.8-127.1 150.5 35.5 -39.2 -6.5 94 387 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.845 109.4 59.8 -68.2 -31.5 37.6 -41.9 -8.2 95 388 A E H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 10,-0.3 0.940 113.4 36.3 -54.4 -50.7 38.7 -43.1 -4.8 96 389 A G H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 116.6 50.9 -73.7 -45.4 35.1 -43.8 -3.8 97 390 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.915 111.4 49.9 -60.9 -41.5 33.9 -45.0 -7.2 98 391 A A H X>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 4,-1.7 0.962 112.3 46.3 -60.6 -51.2 36.7 -47.5 -7.4 99 392 A R H <5S+ 0 0 192 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.885 117.1 45.5 -59.6 -36.7 36.1 -48.8 -3.9 100 393 A R H <5S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 121.4 32.3 -79.8 -32.0 32.3 -49.1 -4.6 101 394 A Y H <5S- 0 0 14 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.326 128.2 -56.6-121.1 7.6 32.4 -50.7 -8.0 102 395 A G T <5S+ 0 0 41 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.748 95.4 23.0 134.1 36.1 35.5 -53.0 -8.1 103 396 A G < - 0 0 25 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.948 69.1 -83.0-178.9-156.3 39.0 -51.8 -7.5 104 397 A E - 0 0 125 -2,-0.3 2,-0.9 7,-0.1 11,-0.1 -0.999 27.6-126.6-141.9 133.0 41.3 -49.2 -5.9 105 398 A W + 0 0 34 -2,-0.4 2,-0.1 -10,-0.3 7,-0.1 -0.715 44.0 169.6 -81.0 107.9 42.4 -45.8 -7.1 106 399 A T - 0 0 28 -2,-0.9 -1,-0.0 2,-0.2 -11,-0.0 -0.194 46.0-104.0-105.9-164.5 46.2 -46.0 -6.9 107 400 A E S S+ 0 0 137 -2,-0.1 2,-0.4 -90,-0.1 -90,-0.1 -0.053 86.2 96.7-117.7 31.8 49.0 -43.7 -8.1 108 401 A E > - 0 0 61 1,-0.1 4,-2.4 -92,-0.1 3,-0.3 -0.986 64.3-145.5-130.1 125.2 50.1 -45.9 -11.1 109 402 A A H > S+ 0 0 2 -2,-0.4 4,-2.2 1,-0.2 -77,-0.2 0.876 99.5 51.7 -57.5 -47.8 49.0 -45.2 -14.7 110 403 A G H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 112.7 46.4 -57.0 -40.8 48.9 -48.9 -15.7 111 404 A E H > S+ 0 0 101 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.882 111.2 52.0 -70.2 -37.5 46.8 -49.8 -12.7 112 405 A R H X S+ 0 0 18 -4,-2.4 4,-2.2 2,-0.2 -54,-0.3 0.823 109.3 51.0 -67.2 -31.4 44.5 -46.8 -13.4 113 406 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -79,-0.2 0.929 111.5 45.8 -69.4 -48.2 44.0 -48.0 -16.9 114 407 A A H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.908 113.6 51.4 -60.1 -42.2 43.1 -51.5 -15.8 115 408 A L H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.921 106.9 52.4 -61.1 -47.1 40.8 -50.0 -13.2 116 409 A S H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.909 111.2 48.1 -56.0 -41.9 39.1 -47.8 -15.8 117 410 A E H X S+ 0 0 49 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.946 115.2 43.0 -66.3 -47.8 38.5 -50.9 -18.0 118 411 A R H X S+ 0 0 124 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 115.4 48.5 -65.2 -47.4 37.1 -53.0 -15.2 119 412 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.871 109.1 53.9 -62.9 -39.0 34.9 -50.2 -13.7 120 413 A F H X S+ 0 0 22 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.949 108.7 49.0 -61.6 -47.9 33.5 -49.3 -17.1 121 414 A A H X S+ 0 0 65 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.938 116.7 42.2 -54.0 -49.4 32.4 -52.9 -17.7 122 415 A N H X S+ 0 0 69 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.950 116.1 45.3 -68.3 -50.3 30.8 -53.1 -14.3 123 416 A L H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.876 110.9 54.6 -63.4 -37.0 29.1 -49.7 -14.2 124 417 A W H < S+ 0 0 66 -4,-2.6 4,-0.4 -5,-0.3 3,-0.4 0.924 107.2 52.4 -61.3 -42.4 27.8 -50.2 -17.8 125 418 A G H >< S+ 0 0 42 -4,-1.9 3,-1.5 -5,-0.3 -2,-0.2 0.921 106.4 52.6 -55.9 -44.9 26.3 -53.4 -16.5 126 419 A R H 3< S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.8 56.5 -66.7 -25.7 24.5 -51.6 -13.7 127 420 A L T >< S+ 0 0 0 -4,-1.4 3,-1.5 -3,-0.4 -1,-0.3 0.497 78.0 117.7 -84.8 -3.5 23.0 -49.0 -16.1 128 421 A E T < S+ 0 0 101 -3,-1.5 3,-0.0 -4,-0.4 -3,-0.0 -0.473 83.5 15.2 -67.7 131.0 21.3 -51.7 -18.2 129 422 A G T 3 S+ 0 0 63 -2,-0.2 2,-1.7 1,-0.1 -1,-0.3 0.125 97.1 107.8 90.5 -19.9 17.6 -51.3 -18.2 130 423 A E <> + 0 0 61 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 -0.520 43.3 167.4 -86.4 69.6 18.0 -47.8 -16.8 131 424 A E H > + 0 0 118 -2,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.817 69.3 50.7 -59.3 -36.9 17.0 -46.2 -20.1 132 425 A R H > S+ 0 0 123 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.939 112.2 46.4 -69.7 -44.0 16.6 -42.7 -18.8 133 426 A L H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.894 111.1 54.1 -62.1 -39.9 20.0 -42.6 -17.2 134 427 A L H X S+ 0 0 6 -4,-2.5 4,-2.7 -7,-0.2 5,-0.3 0.881 107.2 50.5 -58.8 -41.2 21.5 -44.1 -20.4 135 428 A W H X S+ 0 0 97 -4,-1.9 4,-2.8 2,-0.2 5,-0.5 0.886 109.4 51.0 -66.4 -37.9 19.9 -41.3 -22.4 136 429 A L H X>S+ 0 0 0 -4,-2.0 5,-2.1 3,-0.2 4,-1.5 0.915 112.2 47.7 -64.8 -41.3 21.5 -38.8 -20.0 137 430 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.6 3,-0.2 -2,-0.2 0.968 121.4 33.3 -63.3 -53.8 24.9 -40.5 -20.4 138 431 A R H <5S+ 0 0 103 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.849 128.6 34.2 -73.0 -39.2 24.8 -40.6 -24.2 139 432 A E H <5S+ 0 0 98 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.671 134.1 11.5 -95.0 -18.7 22.9 -37.4 -25.0 140 433 A V T X5S+ 0 0 1 -4,-1.5 4,-2.4 -5,-0.5 -3,-0.2 0.674 122.4 35.6-120.7 -75.9 24.1 -35.1 -22.2 141 434 A E H >> S+ 0 0 41 0, 0.0 4,-1.4 0, 0.0 3,-0.6 0.868 112.3 60.9 -66.3 -29.8 29.2 -35.2 -25.1 144 437 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.863 94.0 63.0 -65.4 -33.4 29.2 -32.5 -22.4 145 438 A S H 3X S+ 0 0 3 -4,-2.0 4,-2.1 -3,-0.3 -1,-0.2 0.886 102.3 51.1 -59.0 -35.5 32.6 -33.7 -21.2 146 439 A A H + 0 0 61 145,-2.5 4,-1.7 -2,-0.4 5,-0.1 -0.641 35.4 174.5 -81.7 88.9 42.9 -7.4 -16.9 160 453 A V H > S+ 0 0 43 -2,-1.6 4,-2.6 1,-0.2 5,-0.2 0.915 72.7 53.4 -65.0 -45.7 45.7 -8.1 -14.6 161 454 A A H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 107.8 53.7 -59.5 -36.3 47.2 -4.6 -14.4 162 455 A Y H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 110.3 45.5 -65.8 -44.8 43.7 -3.3 -13.4 163 456 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.887 110.5 53.8 -68.1 -38.7 43.4 -5.8 -10.5 164 457 A R H X S+ 0 0 113 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.940 111.7 45.2 -58.3 -47.3 47.0 -5.1 -9.3 165 458 A A H X S+ 0 0 60 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.919 110.8 53.9 -64.6 -41.1 46.2 -1.4 -9.2 166 459 A L H X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.900 101.5 60.4 -60.0 -40.9 42.9 -2.0 -7.5 167 460 A S H X S+ 0 0 17 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.915 102.9 49.9 -53.1 -48.0 44.6 -4.1 -4.7 168 461 A L H X S+ 0 0 126 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.886 112.7 47.4 -62.4 -37.9 46.7 -1.1 -3.6 169 462 A E H X S+ 0 0 119 -4,-1.4 4,-1.7 2,-0.2 3,-0.2 0.936 112.3 47.7 -70.6 -45.2 43.7 1.2 -3.4 170 463 A V H X S+ 0 0 8 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.873 105.1 61.7 -65.1 -34.2 41.5 -1.4 -1.4 171 464 A A H X S+ 0 0 40 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.926 104.6 47.3 -55.0 -46.3 44.5 -2.0 1.0 172 465 A E H X S+ 0 0 136 -4,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.905 112.7 48.5 -66.2 -40.3 44.4 1.7 2.1 173 466 A E H X S+ 0 0 62 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.894 108.7 53.9 -64.9 -40.9 40.6 1.6 2.5 174 467 A I H X S+ 0 0 15 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.910 107.4 51.4 -59.4 -41.7 40.8 -1.6 4.5 175 468 A A H X S+ 0 0 44 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.877 105.0 55.9 -65.6 -38.0 43.4 0.0 6.9 176 469 A R H X S+ 0 0 141 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.925 113.1 42.7 -56.5 -42.9 41.0 3.0 7.4 177 470 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.889 114.0 47.8 -73.5 -41.5 38.3 0.6 8.5 178 471 A E H X S+ 0 0 64 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.917 110.0 53.2 -72.7 -36.6 40.4 -1.7 10.7 179 472 A A H X S+ 0 0 57 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.885 111.1 46.7 -62.1 -40.8 42.1 1.3 12.5 180 473 A E H X S+ 0 0 62 -4,-1.4 4,-2.6 -5,-0.2 -1,-0.2 0.914 109.8 53.5 -69.5 -41.2 38.6 2.7 13.3 181 474 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.939 111.0 46.8 -57.7 -44.8 37.4 -0.7 14.5 182 475 A F H X>S+ 0 0 38 -4,-2.6 4,-1.7 2,-0.2 5,-1.2 0.892 109.5 53.5 -66.5 -39.0 40.5 -0.9 16.8 183 476 A R H <5S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.946 111.6 46.4 -56.8 -47.1 39.9 2.6 18.1 184 477 A L H <5S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.805 112.1 49.2 -69.2 -31.5 36.3 1.7 18.9 185 478 A A H <5S- 0 0 12 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.751 110.2-124.6 -76.7 -24.0 37.3 -1.6 20.6 186 479 A G T <5S+ 0 0 64 -4,-1.7 -3,-0.2 -3,-0.2 -2,-0.1 0.441 83.1 35.9 92.7 2.8 39.9 0.4 22.6 187 480 A H S - 0 0 79 -2,-0.3 3,-2.0 1,-0.2 7,-0.3 -0.649 43.5-170.4 -75.4 99.4 43.1 -9.9 14.8 191 484 A L T 3 S+ 0 0 5 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.737 83.5 64.1 -65.1 -19.5 40.0 -8.5 13.1 192 485 A N T 3 S+ 0 0 108 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.604 85.5 87.0 -76.1 -12.0 40.2 -11.5 10.8 193 486 A S <> - 0 0 27 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 -0.810 59.2-167.0 -95.6 111.1 39.6 -13.8 13.8 194 487 A R H > S+ 0 0 64 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.760 90.8 57.7 -67.9 -21.5 35.9 -14.3 14.4 195 488 A D H > S+ 0 0 53 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.905 109.6 42.5 -71.5 -43.1 36.8 -15.9 17.8 196 489 A Q H > S+ 0 0 67 -6,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.885 115.4 50.3 -71.3 -37.4 38.7 -12.7 18.9 197 490 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -7,-0.3 5,-0.3 0.872 104.5 59.2 -64.9 -38.0 35.9 -10.5 17.5 198 491 A E H X>S+ 0 0 19 -4,-1.8 4,-2.4 1,-0.2 5,-0.5 0.925 107.3 45.8 -56.4 -46.4 33.3 -12.6 19.4 199 492 A R H X>S+ 0 0 135 -4,-1.5 5,-2.3 1,-0.2 4,-1.5 0.880 113.4 49.6 -68.6 -36.6 35.0 -11.7 22.7 200 493 A V H <>S+ 0 0 3 -4,-1.7 5,-3.0 3,-0.2 -2,-0.2 0.930 117.0 39.4 -67.2 -45.2 35.3 -8.1 21.8 201 494 A L H <5S+ 0 0 0 -4,-2.9 6,-1.7 3,-0.2 -2,-0.2 0.914 130.1 25.2 -70.8 -43.5 31.7 -7.6 20.7 202 495 A F H <5S+ 0 0 17 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.779 131.9 29.7-101.8 -31.4 30.0 -9.8 23.3 203 496 A D T < - 0 0 39 5,-2.5 4,-1.0 -2,-0.3 7,-0.0 -0.422 30.7-119.9 -82.3 160.0 27.3 -21.2 15.3 214 507 A E T 4 S+ 0 0 171 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.933 97.8 27.0 -71.3 -52.4 26.3 -24.6 14.1 215 508 A K T 4 S+ 0 0 189 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.842 134.7 22.1 -84.1 -38.1 29.1 -27.0 15.1 216 509 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.307 92.2-127.0-121.0 6.1 30.6 -25.5 18.2 217 510 A G < + 0 0 38 -4,-1.0 -3,-0.1 1,-0.1 2,-0.1 0.766 49.7 158.0 54.6 32.3 27.9 -23.2 19.5 218 511 A K - 0 0 74 1,-0.1 -5,-2.5 -6,-0.0 2,-0.6 -0.412 57.3 -87.9 -75.8 162.2 30.0 -20.1 19.7 219 512 A R B -H 212 0E 58 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.650 55.6-122.3 -72.9 118.2 28.3 -16.7 19.7 220 513 A S - 0 0 18 -9,-2.4 -10,-0.4 -2,-0.6 -9,-0.3 -0.299 29.0-173.7 -69.0 146.0 28.0 -15.9 16.0 221 514 A T + 0 0 5 -12,-0.1 -1,-0.1 -11,-0.1 5,-0.1 -0.017 37.1 145.5-120.5 25.3 29.4 -12.8 14.3 222 515 A S > - 0 0 50 1,-0.1 4,-2.5 3,-0.1 3,-0.3 -0.114 66.5-103.6 -62.5 163.5 27.9 -13.5 10.9 223 516 A A H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.841 122.8 56.5 -59.7 -33.8 26.7 -10.6 8.7 224 517 A A H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.921 109.6 45.1 -64.4 -43.9 23.1 -11.4 9.6 225 518 A V H > S+ 0 0 9 -3,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.922 114.4 47.8 -61.8 -47.6 23.9 -11.0 13.3 226 519 A L H < S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.892 107.5 57.7 -62.2 -39.0 25.9 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