==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 29-APR-11 3RRH . 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) . 24277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 71.2 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 9.9 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 43.3 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 5 2 2 0 0 2 2 0 0 1 1 1 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 1 295 A E 0 0 159 0, 0.0 37,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 21.5 50.0 -59.3 -19.8 2 296 A E E -a 38 0A 152 35,-0.2 37,-0.2 37,-0.1 35,-0.0 -0.502 360.0-178.1 -70.7 125.4 52.5 -56.4 -20.4 3 297 A A E -a 39 0A 21 35,-2.9 37,-0.7 -2,-0.3 2,-0.1 -0.897 30.7 -94.0-125.3 153.7 52.6 -55.4 -24.1 4 298 A P E -a 40 0A 112 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.380 58.6 -77.9 -63.4 137.9 54.6 -52.9 -26.1 5 299 A W S S+ 0 0 39 35,-0.5 35,-0.1 -2,-0.1 26,-0.0 -0.448 95.6 66.4 -61.5 148.3 53.1 -49.4 -26.7 6 300 A P S S- 0 0 78 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.548 71.2-143.5 -90.8 165.2 51.1 -48.3 -28.5 7 301 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.368 26.0 -98.0 -80.3 164.0 47.7 -49.9 -27.6 8 302 A P > - 0 0 59 0, 0.0 3,-1.3 0, 0.0 2,-0.1 -0.308 55.2 -77.8 -72.6 166.6 45.0 -50.9 -30.1 9 303 A E T 3 S+ 0 0 142 1,-0.2 42,-0.0 42,-0.1 0, 0.0 -0.373 117.4 32.1 -66.5 143.8 42.1 -48.5 -30.8 10 304 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.2 43,-0.1 0, 0.0 0.392 84.5 145.5 91.4 -3.2 39.4 -48.5 -28.2 11 305 A A < - 0 0 14 -3,-1.3 2,-0.4 1,-0.1 44,-0.3 -0.231 52.6-113.0 -64.0 155.5 41.8 -49.2 -25.3 12 306 A F E -B 33 0A 15 21,-2.8 21,-2.7 42,-0.1 2,-0.3 -0.756 32.1-138.0 -90.9 138.4 41.2 -47.7 -21.9 13 307 A V E -B 32 0A 4 42,-3.7 44,-0.4 -2,-0.4 2,-0.4 -0.690 16.7-170.4-101.0 148.3 43.8 -45.1 -20.8 14 308 A G E +B 31 0A 2 17,-2.9 17,-2.9 -2,-0.3 2,-0.3 -0.984 14.5 170.8-129.0 144.9 45.4 -44.6 -17.4 15 309 A F E -B 30 0A 10 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.995 23.5-144.9-153.7 155.1 47.5 -41.6 -16.6 16 310 A V E -B 29 0A 12 13,-2.0 12,-2.0 -2,-0.3 13,-1.3 -0.990 14.7-161.8-126.4 128.5 49.2 -39.9 -13.7 17 311 A L E -B 27 0A 29 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.773 26.2-129.4-106.3 153.7 49.6 -36.1 -13.2 18 312 A S S S+ 0 0 64 8,-2.1 2,-0.3 -2,-0.3 9,-0.1 0.683 95.9 7.3 -72.6 -18.1 52.0 -34.2 -11.0 19 313 A R S S- 0 0 114 7,-0.3 -1,-0.2 2,-0.1 6,-0.1 -0.972 82.6-104.1-160.4 160.6 49.0 -32.2 -9.7 20 314 A K S S+ 0 0 126 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.768 94.6 84.7 -65.1 -30.9 45.2 -32.3 -10.0 21 315 A E >> - 0 0 26 1,-0.2 3,-1.6 2,-0.1 4,-1.5 -0.633 64.9-157.2 -78.7 110.5 44.9 -29.3 -12.4 22 316 A P T 34 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 46,-0.1 0.790 90.5 57.4 -61.7 -28.9 45.4 -30.5 -16.0 23 317 A M T 34 S+ 0 0 7 1,-0.2 -2,-0.1 244,-0.1 245,-0.0 0.722 118.9 32.7 -71.2 -19.1 46.4 -27.1 -17.4 24 318 A W T <4 S+ 0 0 73 -3,-1.6 -1,-0.2 -5,-0.1 2,-0.1 0.538 98.7 108.6-110.1 -10.9 49.2 -27.0 -14.8 25 319 A A < - 0 0 2 -4,-1.5 2,-0.4 -6,-0.1 -5,-0.0 -0.361 61.1-135.3 -81.6 147.2 50.2 -30.6 -14.5 26 320 A D - 0 0 75 -2,-0.1 -8,-2.1 1,-0.0 2,-1.1 -0.810 28.6-124.6 -85.4 132.8 53.2 -32.5 -15.7 27 321 A L E +B 17 0A 3 -2,-0.4 18,-0.2 -10,-0.2 -10,-0.2 -0.736 33.9 178.5 -80.8 101.2 52.1 -35.8 -17.3 28 322 A L E - 0 0 91 -12,-2.0 2,-0.3 -2,-1.1 -1,-0.2 0.859 59.3 -4.1 -76.2 -36.8 54.2 -38.2 -15.3 29 323 A A E -B 16 0A 31 -13,-1.3 -13,-2.0 14,-0.1 2,-0.3 -0.994 54.8-163.8-158.5 155.9 53.0 -41.5 -16.9 30 324 A L E +B 15 0A 2 11,-0.4 11,-2.5 -2,-0.3 2,-0.3 -0.995 15.5 161.1-148.0 135.7 50.6 -42.9 -19.4 31 325 A A E -BC 14 40A 0 -17,-2.9 -17,-2.9 -2,-0.3 2,-0.3 -0.943 18.6-149.8-147.9 168.3 49.3 -46.4 -20.1 32 326 A A E -BC 13 39A 1 7,-2.4 7,-3.4 -2,-0.3 2,-0.4 -0.991 5.7-155.6-143.9 151.9 46.4 -48.2 -21.9 33 327 A A E +BC 12 38A 2 -21,-2.7 -21,-2.8 -2,-0.3 2,-0.3 -0.988 24.1 140.7-133.7 136.5 44.5 -51.5 -21.3 34 328 A R E > + C 0 37A 109 3,-2.1 3,-1.9 -2,-0.4 -23,-0.1 -0.915 61.9 4.0-169.6 142.7 42.6 -53.7 -23.7 35 329 A G T 3 S- 0 0 59 1,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.765 129.0 -48.3 53.8 33.5 41.9 -57.4 -24.4 36 330 A G T 3 S+ 0 0 54 1,-0.3 2,-0.3 77,-0.0 -1,-0.3 0.628 117.1 107.9 84.3 14.4 44.0 -58.7 -21.5 37 331 A R E < - C 0 34A 144 -3,-1.9 -3,-2.1 -35,-0.0 2,-0.4 -0.911 52.4-155.3-122.3 151.2 47.0 -56.5 -22.2 38 332 A V E -aC 2 33A 11 -37,-2.1 -35,-2.9 -2,-0.3 2,-0.5 -0.996 10.7-163.0-123.2 127.2 48.5 -53.5 -20.5 39 333 A H E -aC 3 32A 11 -7,-3.4 -7,-2.4 -2,-0.4 2,-0.5 -0.942 2.7-160.9-112.7 123.3 50.6 -51.1 -22.6 40 334 A R E -aC 4 31A 93 -37,-0.7 -35,-0.5 -2,-0.5 -9,-0.2 -0.894 17.8-128.5-108.3 126.9 52.9 -48.6 -20.9 41 335 A A - 0 0 15 -11,-2.5 -11,-0.4 -2,-0.5 4,-0.1 -0.548 5.8-152.6 -73.4 127.2 54.2 -45.6 -22.7 42 336 A P S S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.867 94.3 22.3 -66.6 -36.7 58.0 -45.1 -22.5 43 337 A E S > S- 0 0 71 1,-0.1 4,-2.3 -3,-0.0 5,-0.2 -0.896 76.1-158.8-133.7 108.3 57.6 -41.4 -22.9 44 338 A P H > S+ 0 0 16 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.844 86.0 51.1 -54.9 -49.5 54.1 -40.0 -22.0 45 339 A Y H > S+ 0 0 49 -18,-0.2 4,-0.6 1,-0.2 3,-0.2 0.929 115.9 40.9 -60.5 -47.0 54.1 -36.7 -23.9 46 340 A K H >4 S+ 0 0 122 1,-0.2 3,-1.1 -3,-0.2 4,-0.2 0.877 111.7 56.9 -66.6 -38.2 55.1 -38.3 -27.2 47 341 A A H >< S+ 0 0 3 -4,-2.3 3,-2.3 1,-0.3 4,-0.3 0.804 91.8 71.9 -64.0 -29.3 52.8 -41.3 -26.6 48 342 A L H >< S+ 0 0 3 -4,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.861 88.2 63.3 -52.6 -36.7 49.9 -38.9 -26.2 49 343 A R T << S+ 0 0 130 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.667 93.2 64.2 -66.0 -14.1 50.1 -38.4 -30.0 50 344 A D T < S+ 0 0 80 -3,-2.3 2,-0.3 -4,-0.2 -1,-0.3 0.553 84.2 94.2 -86.0 -9.3 49.3 -42.0 -30.5 51 345 A L < - 0 0 30 -3,-1.6 3,-0.1 -4,-0.3 -42,-0.1 -0.654 51.4-166.7 -95.4 142.5 45.8 -41.9 -29.1 52 346 A K S S+ 0 0 142 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.767 78.9 0.1 -91.2 -33.4 42.5 -41.3 -31.0 53 347 A E - 0 0 75 20,-0.2 2,-0.9 2,-0.1 -1,-0.3 -0.984 69.6-114.0-150.7 156.8 40.4 -40.6 -27.9 54 348 A A B +d 75 0B 0 20,-2.6 22,-3.0 -2,-0.3 2,-0.5 -0.858 41.2 174.0 -93.6 105.5 40.8 -40.4 -24.1 55 349 A R + 0 0 45 -2,-0.9 -42,-3.7 -44,-0.3 2,-0.3 -0.960 37.6 49.7-117.4 116.7 38.7 -43.3 -22.8 56 350 A G S > S- 0 0 0 21,-2.4 3,-1.4 -2,-0.5 24,-0.1 -0.930 92.6 -16.2 150.1-176.2 38.9 -44.0 -19.1 57 351 A L T 3 S+ 0 0 4 -44,-0.4 -42,-0.1 54,-0.3 58,-0.1 -0.382 128.9 3.4 -59.5 134.1 38.6 -42.5 -15.6 58 352 A L T >> S+ 0 0 45 1,-0.1 4,-1.3 3,-0.1 3,-0.7 0.825 79.7 163.2 59.2 35.9 38.9 -38.7 -15.7 59 353 A A H <> + 0 0 0 -3,-1.4 4,-2.2 1,-0.2 3,-0.2 0.875 67.2 61.1 -53.7 -42.5 39.1 -38.7 -19.5 60 354 A K H 3> S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 100.7 54.3 -52.8 -43.3 38.3 -35.0 -19.6 61 355 A D H <> S+ 0 0 11 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.903 108.7 47.1 -60.8 -42.3 41.4 -34.1 -17.6 62 356 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.904 111.7 52.3 -64.9 -39.0 43.7 -36.0 -20.1 63 357 A S H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 10,-0.3 0.912 106.8 52.0 -62.9 -43.8 41.9 -34.3 -23.0 64 358 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.940 110.7 48.2 -57.5 -46.5 42.5 -30.9 -21.5 65 359 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.907 111.6 50.2 -62.7 -40.4 46.2 -31.6 -21.1 66 360 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 3,-0.6 0.937 109.9 49.8 -61.9 -46.5 46.3 -32.9 -24.7 67 361 A L H ><5S+ 0 0 37 -4,-3.0 3,-1.8 1,-0.3 -2,-0.2 0.885 105.8 58.0 -59.1 -37.9 44.6 -29.7 -25.9 68 362 A R H 3<5S+ 0 0 36 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.857 106.0 49.5 -58.0 -35.3 47.1 -27.7 -23.9 69 363 A E T <<5S- 0 0 47 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.282 126.2-101.8 -91.3 10.0 49.8 -29.4 -26.0 70 364 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.693 80.4 132.5 80.0 21.1 48.1 -28.6 -29.2 71 365 A L < - 0 0 32 -5,-2.7 2,-1.6 -6,-0.2 -1,-0.3 -0.911 55.5-138.6-109.6 130.0 46.6 -32.1 -29.7 72 366 A G + 0 0 74 -2,-0.5 -9,-0.1 -3,-0.1 -5,-0.0 -0.577 43.2 151.8 -85.7 78.8 43.0 -32.7 -30.6 73 367 A L - 0 0 6 -2,-1.6 -6,-0.2 -10,-0.3 -20,-0.2 -0.882 28.8-157.3-113.4 100.5 42.2 -35.6 -28.3 74 368 A P - 0 0 61 0, 0.0 -20,-2.6 0, 0.0 2,-0.2 -0.452 17.7-116.3 -79.7 150.5 38.6 -35.8 -27.3 75 369 A P B +d 54 0B 12 0, 0.0 -20,-0.2 0, 0.0 70,-0.1 -0.613 37.3 171.7 -80.0 143.4 37.3 -37.6 -24.2 76 370 A G + 0 0 6 -22,-3.0 -16,-0.1 1,-0.4 -17,-0.1 -0.029 50.0 7.4-119.1-132.4 35.0 -40.6 -24.7 77 371 A D - 0 0 16 -2,-0.1 -21,-2.4 -22,-0.1 -1,-0.4 -0.179 59.7-179.4 -54.3 141.7 33.7 -43.1 -22.2 78 372 A D >> - 0 0 12 -23,-0.2 3,-1.2 -3,-0.1 4,-1.2 -0.917 25.8-149.7-145.7 115.2 34.5 -42.4 -18.5 79 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.797 96.4 68.3 -56.6 -27.3 33.3 -44.7 -15.8 80 374 A M H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.899 99.6 49.0 -57.4 -40.7 33.1 -41.7 -13.4 81 375 A L H <> S+ 0 0 3 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.872 110.4 50.1 -68.5 -37.5 30.2 -40.4 -15.5 82 376 A L H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.927 113.5 45.7 -62.3 -46.8 28.4 -43.8 -15.4 83 377 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 7,-0.3 0.896 110.5 53.4 -64.4 -40.4 28.8 -44.0 -11.6 84 378 A Y H < S+ 0 0 3 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 108.9 49.2 -64.2 -40.6 27.7 -40.4 -11.1 85 379 A L H < S+ 0 0 1 -4,-1.9 348,-0.5 1,-0.2 -1,-0.2 0.875 110.1 51.8 -64.6 -38.5 24.5 -41.1 -13.0 86 380 A L H < S- 0 0 19 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.889 138.9 -10.3 -63.1 -37.3 23.9 -44.2 -11.0 87 381 A D >< - 0 0 17 -4,-2.0 3,-2.7 -5,-0.1 -1,-0.3 -0.777 60.9-145.7-167.2 108.8 24.3 -42.2 -7.7 88 382 A P T 3 S+ 0 0 4 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.515 94.2 78.3 -70.5 0.1 25.6 -38.7 -7.6 89 383 A S T 3 S+ 0 0 79 -6,-0.1 2,-1.4 1,-0.1 3,-0.2 0.591 72.2 93.4 -74.1 -10.6 27.3 -39.4 -4.3 90 384 A N < + 0 0 8 -3,-2.7 -3,-0.1 -7,-0.3 -1,-0.1 -0.671 46.5 136.3 -79.8 89.2 29.9 -41.1 -6.6 91 385 A T + 0 0 61 -2,-1.4 -1,-0.2 183,-0.1 182,-0.2 0.565 50.5 54.6-116.1 -15.4 32.2 -38.1 -6.9 92 386 A T > - 0 0 56 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.928 68.5-133.8-124.4 149.8 35.8 -39.4 -6.6 93 387 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.844 109.2 59.1 -68.0 -31.0 37.7 -42.2 -8.4 94 388 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 10,-0.3 0.923 112.8 38.4 -57.4 -46.8 38.9 -43.4 -4.9 95 389 A G H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 115.4 51.2 -73.0 -43.1 35.3 -44.0 -3.9 96 390 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.903 110.2 50.6 -63.8 -41.1 34.1 -45.3 -7.2 97 391 A A H X>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 4,-1.8 0.961 111.1 47.3 -59.0 -52.2 36.9 -47.8 -7.4 98 392 A R H <5S+ 0 0 167 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.868 117.5 43.9 -59.0 -35.3 36.2 -49.1 -3.9 99 393 A R H <5S+ 0 0 125 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.827 121.5 34.6 -81.5 -32.1 32.5 -49.4 -4.6 100 394 A Y H <5S- 0 0 12 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.340 127.7 -63.7-118.2 6.7 32.6 -50.9 -8.1 101 395 A G T <5S+ 0 0 48 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.727 94.1 35.7 129.5 32.2 35.6 -53.2 -8.1 102 396 A G < - 0 0 20 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.3 -0.911 68.3 -88.5-169.2-160.4 39.1 -52.0 -7.7 103 397 A E - 0 0 121 -2,-0.3 2,-0.8 7,-0.1 11,-0.1 -0.996 26.9-128.8-137.4 131.3 41.5 -49.5 -6.1 104 398 A W + 0 0 33 -2,-0.4 2,-0.1 -10,-0.3 7,-0.1 -0.696 43.0 172.4 -78.4 110.4 42.6 -46.1 -7.3 105 399 A T - 0 0 27 -2,-0.8 -1,-0.0 2,-0.2 -11,-0.0 -0.373 44.8-108.5-109.9-171.8 46.4 -46.2 -7.2 106 400 A E S S+ 0 0 137 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 0.050 85.5 96.5-108.6 22.7 49.2 -44.0 -8.3 107 401 A E > - 0 0 56 1,-0.1 4,-2.0 -92,-0.1 -2,-0.2 -0.955 66.0-143.5-120.5 133.6 50.4 -46.1 -11.2 108 402 A A H > S+ 0 0 2 -2,-0.4 4,-2.3 1,-0.2 -77,-0.2 0.909 99.4 50.2 -63.6 -47.2 49.3 -45.5 -14.8 109 403 A G H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 111.9 48.7 -57.5 -44.6 49.0 -49.1 -15.9 110 404 A E H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 110.3 52.1 -63.9 -35.7 46.9 -50.0 -12.9 111 405 A R H X S+ 0 0 21 -4,-2.0 4,-2.3 2,-0.2 -54,-0.3 0.867 109.4 49.8 -67.7 -36.1 44.7 -46.9 -13.6 112 406 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -79,-0.2 0.928 112.6 46.1 -66.9 -45.9 44.2 -48.2 -17.2 113 407 A A H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 112.4 52.0 -61.4 -43.9 43.3 -51.7 -16.0 114 408 A L H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.918 106.5 53.4 -57.5 -46.8 41.0 -50.2 -13.4 115 409 A S H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.912 109.7 48.1 -57.8 -43.8 39.2 -48.0 -16.0 116 410 A E H X S+ 0 0 60 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.933 115.2 43.6 -62.4 -48.1 38.5 -51.1 -18.2 117 411 A R H X S+ 0 0 127 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.905 114.9 48.6 -67.9 -42.2 37.2 -53.2 -15.3 118 412 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.896 108.8 54.4 -64.6 -40.6 35.1 -50.4 -13.8 119 413 A F H X S+ 0 0 23 -4,-2.4 4,-3.0 -5,-0.3 5,-0.2 0.953 109.2 47.3 -59.1 -48.7 33.6 -49.6 -17.2 120 414 A A H X S+ 0 0 66 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.936 116.1 44.1 -56.2 -49.7 32.4 -53.1 -17.8 121 415 A N H X S+ 0 0 59 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.945 117.5 43.7 -64.6 -48.0 30.9 -53.4 -14.3 122 416 A L H X S+ 0 0 0 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.865 108.7 57.3 -67.2 -36.5 29.2 -50.0 -14.4 123 417 A W H X S+ 0 0 66 -4,-3.0 4,-0.5 -5,-0.3 3,-0.4 0.904 106.8 51.4 -59.5 -39.5 28.0 -50.4 -18.0 124 418 A G H >< S+ 0 0 45 -4,-1.7 3,-0.7 -5,-0.2 -1,-0.2 0.842 104.3 55.4 -64.9 -36.3 26.2 -53.5 -16.7 125 419 A R H 3< S+ 0 0 123 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.773 105.2 55.2 -68.2 -25.6 24.5 -51.7 -13.8 126 420 A L H >< S+ 0 0 0 -4,-1.2 3,-1.8 -3,-0.4 7,-0.3 0.614 78.3 114.1 -82.5 -15.2 23.1 -49.2 -16.3 127 421 A E T << S+ 0 0 98 -3,-0.7 3,-0.1 -4,-0.5 -3,-0.0 -0.392 85.5 18.0 -65.0 131.4 21.3 -51.8 -18.5 128 422 A G T 3 S+ 0 0 76 -2,-0.1 2,-2.5 1,-0.1 -1,-0.3 -0.047 96.4 109.5 94.3 -29.5 17.6 -51.4 -18.3 129 423 A E <> + 0 0 53 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 -0.444 42.8 167.7 -78.8 69.9 18.2 -47.9 -16.9 130 424 A E H > + 0 0 160 -2,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.856 69.7 47.2 -56.1 -44.0 16.9 -46.3 -20.2 131 425 A R H > S+ 0 0 114 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 113.2 47.8 -71.0 -39.8 16.7 -42.8 -18.9 132 426 A L H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.893 110.5 52.9 -66.0 -39.2 20.1 -42.8 -17.3 133 427 A L H X S+ 0 0 16 -4,-2.6 4,-2.6 -7,-0.3 5,-0.2 0.865 107.6 52.3 -63.9 -35.2 21.6 -44.2 -20.4 134 428 A W H X S+ 0 0 101 -4,-1.8 4,-2.9 -5,-0.2 5,-0.5 0.926 108.3 49.9 -65.6 -45.9 20.0 -41.4 -22.4 135 429 A L H X>S+ 0 0 0 -4,-2.2 5,-2.5 295,-0.2 4,-1.7 0.909 112.6 49.2 -57.0 -41.6 21.5 -38.8 -20.1 136 430 A Y H <>S+ 0 0 0 -4,-2.2 5,-2.7 3,-0.2 -2,-0.2 0.971 119.0 35.4 -63.3 -53.3 24.9 -40.5 -20.5 137 431 A R H <5S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.853 128.2 33.5 -71.2 -37.0 24.9 -40.7 -24.3 138 432 A E H <5S+ 0 0 96 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.653 135.2 10.6 -98.0 -17.8 23.0 -37.4 -25.1 139 433 A V T X5S+ 0 0 1 -4,-1.7 4,-2.5 -5,-0.5 -3,-0.2 0.675 122.0 39.7-123.6 -68.6 24.3 -35.2 -22.3 140 434 A E H >> S+ 0 0 40 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.882 111.3 58.6 -63.6 -34.2 29.3 -35.2 -25.2 143 437 A L H 3X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.872 95.1 64.0 -61.6 -35.0 29.4 -32.5 -22.5 144 438 A S H 3X S+ 0 0 3 -4,-1.8 4,-1.7 -3,-0.3 -1,-0.2 0.847 102.0 50.6 -59.0 -33.1 32.8 -33.8 -21.3 145 439 A A H + 0 0 62 145,-2.8 4,-1.7 -2,-0.4 5,-0.1 -0.647 34.2 176.3 -81.3 90.5 43.2 -7.5 -16.9 159 453 A V H > S+ 0 0 43 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.897 73.2 51.4 -66.9 -45.2 46.0 -8.2 -14.5 160 454 A A H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.908 108.4 54.6 -59.4 -40.9 47.4 -4.6 -14.2 161 455 A Y H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 110.5 45.0 -57.3 -46.5 44.0 -3.4 -13.4 162 456 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.880 110.2 53.8 -67.2 -38.9 43.6 -5.9 -10.5 163 457 A R H X S+ 0 0 114 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.944 111.6 46.1 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-40.1 40.9 -1.8 4.6 174 468 A A H X S+ 0 0 48 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.895 105.7 51.8 -62.9 -40.0 43.5 0.0 6.8 175 469 A R H X S+ 0 0 174 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.916 113.7 43.6 -61.6 -44.8 41.1 2.9 7.5 176 470 A L H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.903 114.0 49.9 -66.7 -42.9 38.4 0.4 8.6 177 471 A E H X S+ 0 0 55 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.938 110.5 50.2 -62.0 -48.3 40.7 -1.7 10.7 178 472 A A H X S+ 0 0 59 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.888 112.0 47.3 -58.6 -43.3 42.1 1.3 12.5 179 473 A E H X S+ 0 0 61 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.867 110.2 52.2 -69.5 -37.4 38.7 2.6 13.3 180 474 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.953 110.4 48.8 -61.3 -47.5 37.5 -0.8 14.6 181 475 A F H X>S+ 0 0 43 -4,-2.6 4,-1.3 1,-0.2 5,-1.0 0.885 109.3 52.3 -61.6 -40.3 40.5 -1.0 16.8 182 476 A R H <5S+ 0 0 153 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.943 111.4 46.9 -59.6 -47.1 39.9 2.5 18.2 183 477 A L H <5S+ 0 0 34 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.858 111.9 50.1 -64.3 -36.2 36.3 1.6 19.0 184 478 A A H <5S- 0 0 12 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.709 108.6-126.3 -74.1 -19.4 37.4 -1.7 20.6 185 479 A G T <5S+ 0 0 65 -4,-1.3 -3,-0.2 -3,-0.5 -4,-0.1 0.416 83.2 39.9 87.0 -0.8 40.0 0.2 22.7 186 480 A H S - 0 0 73 -2,-0.3 3,-2.0 1,-0.2 7,-0.3 -0.709 40.8-171.7 -84.6 98.6 43.0 -9.9 14.8 190 484 A L T 3 S+ 0 0 4 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.682 83.6 64.0 -64.7 -16.1 39.9 -8.7 13.1 191 485 A N T 3 S+ 0 0 108 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.642 85.3 85.6 -78.2 -17.2 40.2 -11.7 10.8 192 486 A S <> - 0 0 27 -3,-2.0 4,-2.5 1,-0.2 3,-0.2 -0.784 60.2-165.4 -90.7 111.9 39.6 -14.1 13.7 193 487 A R H > S+ 0 0 65 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.789 91.4 59.5 -66.1 -23.5 35.9 -14.6 14.3 194 488 A D H > S+ 0 0 50 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.905 108.7 41.8 -69.0 -41.0 36.9 -16.0 17.7 195 489 A Q H > S+ 0 0 63 -6,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.898 114.9 51.5 -72.5 -38.5 38.6 -12.8 18.8 196 490 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -7,-0.3 5,-0.3 0.893 103.7 58.6 -63.7 -39.9 35.8 -10.7 17.3 197 491 A E H X>S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.2 5,-0.6 0.932 107.8 46.1 -54.4 -47.5 33.2 -12.7 19.2 198 492 A R H X>S+ 0 0 122 -4,-1.3 5,-2.7 1,-0.2 4,-1.6 0.903 112.7 50.0 -64.7 -42.4 34.8 -11.8 22.6 199 493 A V H <>S+ 0 0 3 -4,-1.9 5,-3.3 3,-0.2 -1,-0.2 0.940 117.6 38.6 -59.7 -48.7 35.2 -8.2 21.7 200 494 A L H <5S+ 0 0 0 -4,-2.7 6,-1.7 3,-0.2 -2,-0.2 0.914 129.9 24.5 -71.5 -46.8 31.6 -7.7 20.6 201 495 A F H <5S+ 0 0 17 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.739 133.8 28.9 -99.5 -25.6 29.7 -9.9 23.1 202 496 A D T < - 0 0 38 5,-2.4 4,-0.8 -2,-0.3 -1,-0.0 -0.399 30.1-119.8 -81.0 159.1 27.1 -21.5 15.2 213 507 A E T 4 S+ 0 0 169 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.958 98.1 27.0 -69.5 -55.6 26.2 -24.9 14.0 214 508 A K T 4 S+ 0 0 191 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.845 135.6 21.2 -82.4 -36.1 29.0 -27.3 14.9 215 509 A T T 4 S- 0 0 100 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.422 91.7-128.3-118.8 -3.9 30.5 -25.7 18.0 216 510 A G < + 0 0 31 -4,-0.8 -3,-0.1 1,-0.2 2,-0.1 0.773 49.5 155.4 63.7 29.8 27.8 -23.5 19.3 217 511 A K - 0 0 75 1,-0.1 -5,-2.4 -6,-0.1 2,-0.6 -0.378 58.4 -85.5 -76.6 165.9 29.8 -20.3 19.6 218 512 A R B -I 211 0E 57 -7,-0.2 -7,-0.3 -2,-0.1 -1,-0.1 -0.670 54.4-120.6 -74.3 118.6 28.1 -16.9 19.4 219 513 A S - 0 0 20 -9,-2.4 -10,-0.3 -2,-0.6 -9,-0.2 -0.290 28.1-174.1 -66.3 140.6 27.8 -16.1 15.7 220 514 A T + 0 0 5 -12,-0.1 -1,-0.1 -11,-0.1 5,-0.1 -0.063 39.3 143.5-115.8 27.4 29.4 -13.0 14.2 221 515 A S > - 0 0 46 1,-0.1 4,-2.8 -11,-0.1 3,-0.5 -0.183 68.1-106.4 -67.7 161.6 27.8 -13.7 10.8 222 516 A A H > S+ 0 0 57 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.858 122.1 60.1 -58.6 -34.5 26.5 -10.8 8.6 223 517 A A H > S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.924 111.0 40.5 -57.7 -44.3 23.0 -11.9 9.5 224 518 A V H > S+ 0 0 9 -3,-0.5 4,-0.6 2,-0.2 -2,-0.2 0.898 115.5 49.5 -69.2 -44.7 23.8 -11.2 13.2 225 519 A L H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.880 106.8 56.5 -64.2 -38.5 25.8 -8.0 12.5 226 520 A E H >< S+ 0 0 96 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.912 103.3 53.8 -59.4 -43.3 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