==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JAN-07 2OIX . COMPND 2 MOLECULE: XANTHOMONAS OUTER PROTEIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS EUVESICATORIA; . AUTHOR R.CHOSED,D.R.TOMCHICK,C.A.BRAUTIGAM,M.MACHIUS,K.ORTH . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 1 0 0 1 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 336 A T 0 0 135 0, 0.0 2,-0.3 0, 0.0 132,-0.1 0.000 360.0 360.0 360.0 -31.6 -35.3 46.2 -4.8 2 337 A S - 0 0 54 130,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.869 360.0-109.4-129.2 164.8 -36.1 43.8 -2.0 3 338 A W - 0 0 118 -2,-0.3 2,-0.3 132,-0.1 130,-0.1 -0.676 26.8-112.3-100.9 153.1 -35.1 43.9 1.7 4 339 A L - 0 0 5 128,-0.4 2,-0.2 -2,-0.3 131,-0.1 -0.629 28.1-149.1 -79.9 137.3 -32.7 41.7 3.7 5 340 A L >> - 0 0 91 -2,-0.3 4,-1.6 1,-0.0 3,-1.0 -0.538 35.1 -96.4 -95.9 169.6 -34.1 39.3 6.3 6 341 A D H 3> S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 28,-0.3 0.875 125.2 57.4 -50.2 -44.9 -32.3 38.1 9.5 7 342 A G H 3> S+ 0 0 49 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.751 103.1 51.5 -59.8 -32.7 -31.2 35.0 7.6 8 343 A H H <> S+ 0 0 68 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.894 111.1 46.8 -70.7 -42.8 -29.4 37.0 4.9 9 344 A L H X S+ 0 0 2 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.946 113.7 49.6 -62.8 -49.2 -27.5 39.0 7.4 10 345 A R H X S+ 0 0 110 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.871 110.9 48.8 -53.9 -43.4 -26.6 35.8 9.2 11 346 A A H X S+ 0 0 36 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.883 113.1 47.9 -67.8 -40.2 -25.5 34.0 6.0 12 347 A Y H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.947 114.5 44.2 -65.2 -47.3 -23.3 37.0 5.1 13 348 A T H X S+ 0 0 5 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.855 111.6 53.9 -72.7 -30.4 -21.7 37.3 8.5 14 349 A D H X S+ 0 0 53 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.942 112.6 44.4 -57.4 -50.8 -21.2 33.5 8.7 15 350 A D H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.908 112.3 52.0 -63.9 -44.7 -19.4 33.7 5.3 16 351 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.931 107.1 52.9 -52.0 -52.3 -17.4 36.8 6.4 17 352 A A H < S+ 0 0 42 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.853 109.9 48.9 -55.0 -37.5 -16.3 35.0 9.6 18 353 A R H >< S+ 0 0 126 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.894 109.9 51.3 -68.7 -41.2 -15.0 32.1 7.4 19 354 A R H 3< S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.877 112.3 46.8 -63.2 -35.8 -13.2 34.5 5.1 20 355 A L T >< S+ 0 0 6 -4,-2.4 3,-2.1 -5,-0.1 -1,-0.2 0.474 81.1 135.8 -85.0 -4.9 -11.4 36.1 8.1 21 356 A R T < S+ 0 0 195 -3,-0.8 -3,-0.1 -4,-0.4 -4,-0.0 -0.180 75.5 5.4 -54.0 125.3 -10.4 32.8 9.8 22 357 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.3 0, 0.0 3,-0.1 0.311 93.5 135.9 88.1 -10.2 -6.9 32.9 11.1 23 358 A E S X S- 0 0 100 -3,-2.1 3,-2.2 1,-0.1 4,-0.3 -0.370 70.8 -80.8 -67.6 147.0 -6.2 36.5 10.3 24 359 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 128,-0.1 -0.300 116.0 2.0 -42.1 122.4 -4.4 38.8 12.9 25 360 A N T > S+ 0 0 61 -3,-0.1 3,-2.1 1,-0.1 4,-0.3 0.371 88.4 126.0 76.0 -1.0 -7.0 39.9 15.5 26 361 A A G X + 0 0 20 -3,-2.2 3,-1.5 1,-0.3 -1,-0.1 0.796 67.4 65.0 -59.8 -29.3 -10.0 37.9 14.0 27 362 A H G 3 S+ 0 0 140 -4,-0.3 -1,-0.3 1,-0.2 -6,-0.0 0.539 90.3 67.0 -67.3 -11.4 -10.6 36.3 17.4 28 363 A L G < S+ 0 0 35 -3,-2.1 35,-2.2 33,-0.1 2,-0.3 0.623 89.6 86.3 -78.2 -15.6 -11.4 39.8 18.8 29 364 A L E < -a 63 0A 17 -3,-1.5 2,-0.4 -4,-0.3 35,-0.2 -0.685 49.9-178.5 -97.7 139.4 -14.6 39.9 16.6 30 365 A H E -a 64 0A 47 33,-2.2 35,-2.6 -2,-0.3 2,-0.9 -0.968 12.4-157.9-131.7 118.1 -18.1 38.6 17.2 31 366 A F E -a 65 0A 30 -2,-0.4 35,-0.1 33,-0.2 2,-0.1 -0.834 24.2-141.8 -91.5 105.8 -20.8 39.0 14.6 32 367 A A - 0 0 2 33,-2.6 2,-0.5 -2,-0.9 -19,-0.1 -0.388 10.6-118.5 -72.8 147.2 -24.0 38.8 16.4 33 368 A D > - 0 0 26 1,-0.1 4,-1.7 -2,-0.1 3,-0.3 -0.749 23.6-135.9 -76.6 132.2 -27.1 37.0 15.1 34 369 A S H > S+ 0 0 3 -2,-0.5 4,-2.1 -28,-0.3 35,-0.3 0.771 101.6 55.2 -67.8 -26.5 -29.9 39.6 14.8 35 370 A Q H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 106.8 51.5 -76.3 -36.2 -32.6 37.5 16.3 36 371 A V H > S+ 0 0 14 -3,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.866 107.4 53.8 -62.9 -40.2 -30.4 37.0 19.4 37 372 A V H >< S+ 0 0 7 -4,-1.7 3,-1.4 1,-0.2 4,-0.4 0.947 107.9 49.9 -55.6 -48.7 -30.0 40.8 19.5 38 373 A T H >< S+ 0 0 75 -4,-2.1 3,-1.6 1,-0.3 4,-0.3 0.897 102.4 63.2 -57.5 -39.4 -33.9 41.1 19.5 39 374 A M H >< S+ 0 0 35 -4,-1.8 3,-1.0 1,-0.3 -1,-0.3 0.673 80.8 78.0 -65.4 -19.6 -34.1 38.6 22.3 40 375 A L T << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.849 102.7 41.6 -54.1 -31.7 -32.2 40.9 24.8 41 376 A S T < S+ 0 0 57 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.524 89.1 130.1 -93.3 -8.7 -35.5 42.7 25.1 42 377 A S < - 0 0 24 -3,-1.0 6,-0.1 -4,-0.3 -3,-0.0 0.038 58.4-138.0 -49.4 152.8 -37.8 39.6 25.2 43 378 A A S S+ 0 0 101 4,-0.0 -1,-0.1 5,-0.0 -4,-0.0 0.791 85.5 89.0 -85.1 -30.1 -40.4 39.3 28.0 44 379 A D S >> S- 0 0 75 1,-0.2 4,-1.8 2,-0.1 3,-0.8 -0.603 74.7-150.3 -63.5 109.9 -39.6 35.6 28.4 45 380 A P H 3> S+ 0 0 93 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.817 93.8 53.0 -55.3 -48.2 -36.8 35.8 31.0 46 381 A D H 3> S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.708 107.1 53.1 -60.8 -26.9 -35.0 32.7 29.8 47 382 A Q H <> S+ 0 0 86 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.893 113.3 43.3 -68.3 -43.5 -35.0 34.1 26.2 48 383 A Q H X S+ 0 0 49 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.904 112.5 52.2 -70.9 -41.2 -33.3 37.3 27.5 49 384 A A H X S+ 0 0 27 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.922 109.6 49.6 -58.9 -47.5 -30.9 35.4 29.8 50 385 A R H X S+ 0 0 111 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.914 111.5 49.7 -55.6 -44.8 -29.8 33.2 26.9 51 386 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 5,-0.3 0.919 108.1 52.8 -66.0 -43.6 -29.3 36.3 24.8 52 387 A Q H X S+ 0 0 69 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.880 111.7 47.0 -56.6 -38.0 -27.3 37.9 27.6 53 388 A R H X S+ 0 0 142 -4,-2.1 4,-1.1 1,-0.2 6,-0.3 0.884 112.4 48.5 -69.8 -42.6 -25.0 34.8 27.7 54 389 A L H < S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.712 126.2 27.0 -72.1 -22.9 -24.5 34.6 23.9 55 390 A L H < S+ 0 0 2 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.602 137.2 22.8-116.1 -18.9 -23.6 38.3 23.6 56 391 A A H < S+ 0 0 37 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.018 87.2 131.7-139.0 25.2 -22.2 39.2 26.9 57 392 A G S >< S- 0 0 21 -4,-1.1 3,-1.4 1,-0.1 -4,-0.1 -0.260 74.1 -94.1 -73.0 170.9 -21.0 35.9 28.4 58 393 A D T 3 S+ 0 0 186 1,-0.3 -1,-0.1 -2,-0.0 -5,-0.0 0.500 123.0 37.6 -66.9 6.8 -17.5 35.4 29.9 59 394 A D T 3 S+ 0 0 132 -6,-0.3 -1,-0.3 2,-0.1 -5,-0.0 0.234 81.2 116.0-142.2 6.6 -16.1 34.1 26.7 60 395 A I S < S- 0 0 31 -3,-1.4 -30,-0.1 -7,-0.1 -5,-0.1 -0.741 76.1-102.0 -81.5 130.6 -17.7 36.2 23.9 61 396 A P - 0 0 33 0, 0.0 -33,-0.1 0, 0.0 -31,-0.1 -0.067 28.2-119.3 -54.3 154.6 -15.1 38.2 22.1 62 397 A P S S+ 0 0 30 0, 0.0 20,-3.0 0, 0.0 2,-0.7 0.587 95.3 66.3 -84.0 -9.6 -14.9 41.9 23.0 63 398 A I E S-aB 29 81A 0 -35,-2.2 -33,-2.2 18,-0.2 2,-0.5 -0.910 71.2-177.0-112.1 106.3 -15.7 43.7 19.7 64 399 A V E -aB 30 80A 2 16,-3.0 16,-3.2 -2,-0.7 2,-0.6 -0.917 21.3-154.5-119.2 126.4 -19.3 42.8 18.9 65 400 A F E -aB 31 79A 1 -35,-2.6 -33,-2.6 -2,-0.5 14,-0.2 -0.902 16.5-171.3 -95.8 114.7 -21.3 43.8 15.8 66 401 A L E - B 0 78A 0 12,-3.2 12,-2.8 -2,-0.6 2,-0.3 -0.913 13.6-148.9-116.1 105.3 -25.0 43.9 16.6 67 402 A P E - B 0 77A 4 0, 0.0 2,-0.6 0, 0.0 10,-0.2 -0.619 14.8-147.0 -72.3 131.6 -27.4 44.3 13.8 68 403 A I E - B 0 76A 4 8,-3.0 8,-1.7 -2,-0.3 2,-0.6 -0.921 12.8-158.3-105.1 110.4 -30.5 46.2 15.1 69 404 A N E - B 0 75A 25 -2,-0.6 6,-0.2 -35,-0.3 8,-0.0 -0.805 17.7-166.9 -94.1 119.4 -33.7 45.1 13.3 70 405 A Q E >> - B 0 74A 25 4,-3.1 3,-2.6 -2,-0.6 4,-2.4 -0.938 50.6-108.1 -95.1 106.1 -36.8 47.2 13.3 71 406 A P T 34 S- 0 0 79 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.065 87.2 -16.7 -52.6 125.3 -39.0 44.3 12.1 72 407 A N T 34 S+ 0 0 140 1,-0.1 -67,-0.0 2,-0.0 -3,-0.0 0.697 135.0 70.6 51.9 26.3 -40.1 44.8 8.4 73 408 A A T <4 S- 0 0 64 -3,-2.6 2,-0.3 1,-0.4 -1,-0.1 0.655 98.5 -22.8-132.1 -50.4 -39.0 48.4 8.7 74 409 A H E < -B 70 0A 7 -4,-2.4 -4,-3.1 60,-0.1 -1,-0.4 -0.989 40.4-139.6-168.6 155.3 -35.3 49.2 9.0 75 410 A W E +B 69 0A 12 -2,-0.3 20,-0.5 -6,-0.2 2,-0.3 -0.991 21.7 164.9-124.5 145.6 -31.8 48.0 9.9 76 411 A S E -B 68 0A 1 -8,-1.7 -8,-3.0 -2,-0.3 2,-0.5 -0.883 29.7-115.2-144.0-178.6 -28.9 49.7 11.7 77 412 A L E -BC 67 93A 0 16,-2.5 16,-3.0 -2,-0.3 2,-0.5 -0.969 16.4-170.4-128.3 125.7 -25.7 48.7 13.3 78 413 A L E -BC 66 92A 0 -12,-2.8 -12,-3.2 -2,-0.5 2,-0.5 -0.961 10.4-165.7-109.2 130.3 -24.6 48.9 16.9 79 414 A V E -BC 65 91A 0 12,-3.2 12,-2.3 -2,-0.5 2,-0.5 -0.924 0.9-166.3-115.2 130.6 -20.9 48.1 17.6 80 415 A V E -BC 64 90A 1 -16,-3.2 -16,-3.0 -2,-0.5 2,-0.6 -0.972 4.1-170.6-120.1 125.3 -19.7 47.5 21.1 81 416 A D E +BC 63 89A 19 8,-3.2 8,-2.3 -2,-0.5 3,-0.3 -0.917 15.5 163.1-116.9 99.0 -16.0 47.5 22.0 82 417 A R + 0 0 50 -20,-3.0 -19,-0.1 -2,-0.6 6,-0.1 0.044 33.0 121.7-108.0 33.5 -15.4 46.2 25.5 83 418 A R S S+ 0 0 96 -21,-0.2 2,-0.7 1,-0.2 -1,-0.2 0.878 81.2 48.6 -60.6 -35.0 -11.7 45.4 25.3 84 419 A N S > S- 0 0 86 3,-0.3 3,-1.4 -3,-0.3 -1,-0.2 -0.911 77.6-163.4-106.4 107.7 -11.4 47.9 28.2 85 420 A K T 3 S+ 0 0 159 -2,-0.7 3,-0.4 1,-0.3 -1,-0.1 0.713 89.3 49.8 -66.9 -24.0 -13.9 46.9 30.8 86 421 A D T 3 S+ 0 0 129 1,-0.2 -1,-0.3 -4,-0.0 -4,-0.0 0.469 120.1 37.5 -87.8 -3.3 -13.7 50.3 32.6 87 422 A A S < S+ 0 0 59 -3,-1.4 -3,-0.3 -5,-0.1 -1,-0.2 -0.410 75.8 179.0-146.4 62.9 -14.2 52.2 29.4 88 423 A V - 0 0 50 -3,-0.4 2,-0.4 -6,-0.1 -6,-0.2 -0.455 13.4-155.2 -64.3 131.4 -16.6 50.4 27.1 89 424 A A E -C 81 0A 19 -8,-2.3 -8,-3.2 -2,-0.2 2,-0.3 -0.878 10.8-173.9-112.3 144.1 -17.2 52.2 23.8 90 425 A A E -C 80 0A 6 30,-0.4 32,-2.9 -2,-0.4 2,-0.4 -0.996 3.1-167.0-141.7 138.6 -20.4 51.8 21.7 91 426 A Y E -Cd 79 122A 16 -12,-2.3 -12,-3.2 -2,-0.3 2,-0.5 -0.996 5.1-158.5-134.1 126.1 -21.1 53.2 18.3 92 427 A H E -Cd 78 123A 0 30,-3.2 32,-2.9 -2,-0.4 2,-0.5 -0.953 5.8-169.6-111.5 126.4 -24.5 53.4 16.4 93 428 A Y E +Cd 77 124A 2 -16,-3.0 -16,-2.5 -2,-0.5 2,-0.4 -0.959 8.1 174.8-116.1 117.3 -24.7 53.7 12.6 94 429 A D - 0 0 3 30,-0.6 32,-0.3 -2,-0.5 -18,-0.1 -0.989 16.3-168.4-125.7 123.9 -28.0 54.5 11.0 95 430 A S + 0 0 2 -20,-0.5 34,-2.1 -2,-0.4 2,-0.3 0.453 48.2 121.7 -91.6 -1.8 -28.2 55.1 7.3 96 431 A M - 0 0 49 32,-0.2 3,-0.3 1,-0.1 -2,-0.1 -0.526 58.7-143.4 -72.8 125.6 -31.8 56.4 7.4 97 432 A A S S+ 0 0 65 -2,-0.3 2,-0.7 32,-0.3 -1,-0.1 0.889 94.3 32.9 -54.2 -53.8 -31.9 60.0 6.0 98 433 A Q S S- 0 0 173 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.889 95.3-136.1-109.2 98.9 -34.6 61.2 8.4 99 434 A K - 0 0 104 -2,-0.7 -2,-0.1 -3,-0.3 3,-0.0 -0.091 10.9-149.9 -51.3 147.4 -34.1 59.4 11.7 100 435 A D >> - 0 0 63 1,-0.1 4,-0.8 -4,-0.0 3,-0.8 -0.947 20.7-124.9-118.5 141.5 -37.0 57.9 13.6 101 436 A P H 3> S+ 0 0 110 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.801 103.6 69.3 -63.3 -21.9 -36.9 57.7 17.4 102 437 A Q H 3> S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 93.4 53.9 -62.3 -42.8 -37.7 53.9 17.3 103 438 A Q H <> S+ 0 0 1 -3,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.922 111.4 42.1 -61.6 -48.2 -34.3 52.9 15.8 104 439 A R H X S+ 0 0 60 -4,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.876 111.8 58.1 -68.5 -33.2 -32.0 54.5 18.3 105 440 A Y H X S+ 0 0 133 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.927 105.6 48.5 -54.8 -49.9 -34.4 53.3 21.0 106 441 A L H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.934 113.2 47.8 -58.3 -48.1 -33.9 49.7 19.9 107 442 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.863 112.6 50.1 -57.6 -37.5 -30.1 50.3 19.9 108 443 A D H X S+ 0 0 24 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.872 109.2 49.7 -72.6 -37.2 -30.4 51.8 23.4 109 444 A M H X S+ 0 0 45 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.924 110.7 50.7 -67.4 -42.5 -32.4 48.9 24.7 110 445 A A H X S+ 0 0 3 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.953 113.5 45.3 -56.2 -50.8 -29.8 46.5 23.3 111 446 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 3,-0.7 0.927 112.9 51.4 -58.8 -46.8 -27.0 48.6 25.1 112 447 A Y H ><5S+ 0 0 140 -4,-3.1 3,-1.6 1,-0.2 -1,-0.2 0.931 110.4 47.0 -56.6 -48.3 -29.0 48.7 28.2 113 448 A H H 3<5S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.603 105.9 60.1 -73.3 -11.7 -29.6 44.9 28.3 114 449 A L T <<5S- 0 0 21 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.335 124.5-103.8 -87.8 4.7 -25.9 44.3 27.6 115 450 A G T < 5S+ 0 0 70 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.570 78.2 134.7 80.1 15.4 -25.1 46.2 30.8 116 451 A L < - 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