==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-06 2FNQ . COMPND 2 MOLECULE: ALLENE OXIDE SYNTHASE-LIPOXYGENASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLEXAURA HOMOMALLA; . AUTHOR M.L.OLDHAM,A.R.BRASH,M.E.NEWCOMER . 1338 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 892 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 9.7 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 2 0.1 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 . 94 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 176 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 388 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 3.3 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 10 0 2 4 0 0 6 6 2 2 2 2 0 0 0 0 2 0 0 0 2 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 12 2 2 2 4 2 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 4 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 1 374 A A 0 0 42 0, 0.0 90,-0.5 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 131.3 22.9 17.0 -30.5 2 375 A I - 0 0 73 1,-0.1 89,-1.3 88,-0.1 2,-0.4 0.952 360.0-173.1 59.7 99.4 23.8 19.5 -27.7 3 376 A Y E -AB 55 90A 0 52,-4.1 52,-3.1 87,-0.2 2,-0.7 -0.947 21.6-136.6-123.0 140.3 22.7 18.4 -24.2 4 377 A N E -AB 54 89A 59 85,-1.6 85,-1.3 -2,-0.4 2,-0.7 -0.863 22.0-168.2 -97.2 117.3 22.8 20.4 -20.9 5 378 A V E -AB 53 88A 0 48,-3.6 48,-3.4 -2,-0.7 2,-0.7 -0.900 6.5-165.9-113.4 105.3 24.0 18.1 -18.2 6 379 A E E -AB 52 87A 50 81,-2.3 81,-2.2 -2,-0.7 2,-0.6 -0.813 10.9-171.3 -88.8 115.1 23.6 19.5 -14.6 7 380 A V E -AB 51 86A 0 44,-3.1 44,-1.0 -2,-0.7 2,-0.4 -0.785 3.4-170.6-118.0 91.1 25.7 17.3 -12.4 8 381 A E E -AB 50 85A 60 77,-1.1 76,-1.9 -2,-0.6 77,-1.4 -0.649 10.3-151.2 -82.6 128.5 25.3 17.9 -8.6 9 382 A T E - B 0 83A 3 40,-2.6 74,-0.2 -2,-0.4 7,-0.1 -0.802 21.6-108.9-101.9 136.2 27.8 16.2 -6.4 10 383 A G - 0 0 0 72,-2.8 39,-0.3 -2,-0.4 72,-0.2 -0.144 17.1-130.8 -58.3 159.1 27.0 15.1 -2.8 11 384 A D + 0 0 126 37,-0.2 37,-0.1 4,-0.1 -1,-0.1 0.289 64.4 127.5 -95.2 6.9 28.5 17.0 0.1 12 385 A R S > S- 0 0 58 70,-0.2 3,-2.4 1,-0.1 4,-0.3 -0.302 79.2 -90.2 -60.4 146.2 29.7 13.8 1.8 13 386 A E T 3 S+ 0 0 46 1,-0.3 158,-0.3 2,-0.1 -1,-0.1 -0.476 120.2 13.2 -62.0 124.9 33.4 13.8 2.8 14 387 A H T 3 S+ 0 0 93 -2,-0.2 -1,-0.3 -3,-0.1 68,-0.1 0.165 87.6 127.3 91.9 -13.6 35.0 12.2 -0.3 15 388 A A < + 0 0 0 -3,-2.4 67,-3.1 66,-0.2 -5,-0.3 0.740 62.0 73.7 -45.0 -26.2 31.8 12.7 -2.4 16 389 A G - 0 0 11 -4,-0.3 64,-0.2 65,-0.2 2,-0.2 -0.417 63.4-169.8 -91.0 167.5 34.0 14.4 -4.9 17 390 A T - 0 0 6 28,-1.9 30,-0.1 27,-0.2 63,-0.0 -0.726 28.4-149.6-136.9-173.1 36.6 13.1 -7.4 18 391 A D + 0 0 85 -2,-0.2 2,-0.1 28,-0.1 57,-0.1 -0.071 60.2 125.3-151.4 22.8 39.2 14.3 -9.7 19 392 A A S S- 0 0 9 26,-0.1 2,-0.8 55,-0.1 55,-0.1 -0.477 75.6 -96.5 -83.0 158.7 38.8 11.4 -12.1 20 393 A T - 0 0 64 51,-0.5 2,-0.4 53,-0.3 53,-0.1 -0.691 46.4-157.4 -80.5 112.8 38.1 12.1 -15.7 21 394 A I + 0 0 2 -2,-0.8 16,-1.9 16,-0.4 2,-0.3 -0.767 17.5 172.4 -98.0 137.7 34.3 11.9 -16.0 22 395 A T E -EF 36 69B 26 47,-1.7 47,-2.7 -2,-0.4 2,-0.3 -0.983 15.1-151.4-139.4 145.6 32.5 11.2 -19.3 23 396 A I E -EF 35 68B 0 12,-2.2 12,-3.7 -2,-0.3 2,-0.4 -0.890 2.2-157.2-119.7 150.1 28.8 10.5 -19.9 24 397 A R - 0 0 78 43,-2.1 43,-0.5 -2,-0.3 2,-0.3 -0.910 11.4-152.6-131.0 106.6 27.1 8.5 -22.6 25 398 A I - 0 0 0 -2,-0.4 7,-3.1 8,-0.2 2,-0.3 -0.589 14.2-172.6 -80.1 135.8 23.5 9.3 -23.3 26 399 A T B +HI 31 65C 19 39,-2.0 38,-2.3 -2,-0.3 39,-1.8 -0.954 21.6 113.9-128.4 145.3 21.3 6.5 -24.7 27 400 A G - 0 0 6 3,-1.8 3,-0.2 -2,-0.3 33,-0.0 -0.832 63.6 -25.0-171.0-148.9 17.8 6.6 -26.1 28 401 A A S S+ 0 0 61 -2,-0.2 -1,-0.1 1,-0.2 32,-0.1 0.972 127.8 32.6 -53.4 -77.0 15.3 6.3 -28.9 29 402 A K S S- 0 0 193 30,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.586 130.2 -84.8 -61.7 -8.3 17.2 7.0 -32.1 30 403 A G - 0 0 30 -3,-0.2 -3,-1.8 28,-0.1 2,-0.3 -0.938 52.5 -58.5 139.9-162.5 20.2 5.4 -30.4 31 404 A R B -H 26 0C 48 -2,-0.3 -5,-0.3 -5,-0.3 28,-0.1 -0.856 37.2-141.2-120.5 156.9 23.1 6.2 -28.0 32 405 A T - 0 0 7 -7,-3.1 2,-0.4 -2,-0.3 -1,-0.1 0.166 33.0 -88.2 -93.2-148.1 25.9 8.8 -28.3 33 406 A D - 0 0 126 -10,-0.1 -8,-0.2 25,-0.1 -10,-0.2 -0.977 54.9 -77.9-128.8 145.3 29.6 8.4 -27.3 34 407 A Y - 0 0 74 -2,-0.4 2,-0.5 -10,-0.2 -10,-0.3 -0.149 51.4-154.9 -45.4 120.3 31.0 9.2 -23.9 35 408 A L E -E 23 0B 21 -12,-3.7 -12,-2.2 20,-0.0 2,-0.4 -0.880 17.6-117.4-103.5 129.5 31.3 12.9 -23.8 36 409 A K E -E 22 0B 124 -2,-0.5 2,-0.7 -14,-0.2 -14,-0.3 -0.510 23.2-155.4 -69.6 120.6 33.9 14.5 -21.5 37 410 A L + 0 0 3 -16,-1.9 -16,-0.4 -2,-0.4 2,-0.2 -0.874 40.2 127.7 -96.1 117.5 32.2 16.6 -18.8 38 411 A D - 0 0 68 -2,-0.7 2,-0.3 -18,-0.1 5,-0.1 -0.638 48.5-141.8-175.8 114.9 34.7 19.3 -17.6 39 412 A K > - 0 0 71 -2,-0.2 3,-0.8 1,-0.1 5,-0.2 -0.617 36.7-115.3 -78.8 134.8 34.8 23.0 -17.3 40 413 A W T 3 S+ 0 0 212 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.224 94.4 11.9 -67.0 160.5 38.2 24.5 -18.2 41 414 A F T 3 S+ 0 0 218 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.855 113.6 108.4 35.9 45.1 40.4 26.3 -15.6 42 415 A H S < S- 0 0 76 -3,-0.8 2,-1.2 2,-0.0 -1,-0.2 -0.996 75.7-126.0-150.4 141.9 37.9 24.8 -13.1 43 416 A N - 0 0 82 -2,-0.3 3,-0.3 -3,-0.1 -3,-0.1 -0.761 39.7-154.5 -91.7 96.6 37.9 22.0 -10.5 44 417 A D + 0 0 14 -2,-1.2 -27,-0.2 -5,-0.2 -6,-0.0 -0.262 61.4 12.4 -72.2 155.9 35.0 19.9 -11.6 45 418 A F S S+ 0 0 6 -38,-0.2 -28,-1.9 1,-0.1 -1,-0.2 0.899 86.9 161.6 46.5 59.9 32.9 17.6 -9.4 46 419 A E > - 0 0 68 -3,-0.3 3,-3.2 -30,-0.2 -37,-0.2 -0.420 51.2 -40.1-103.4 179.5 34.2 18.8 -6.0 47 420 A A T 3 S- 0 0 69 1,-0.3 -35,-0.1 -2,-0.1 -32,-0.1 0.450 129.8 -20.1 4.8 -83.2 33.1 18.6 -2.4 48 421 A G T 3 S+ 0 0 41 -37,-0.1 -1,-0.3 -33,-0.1 -37,-0.2 -0.315 95.2 164.0-138.7 50.2 29.4 19.3 -2.9 49 422 A S < - 0 0 24 -3,-3.2 -40,-2.6 -39,-0.3 2,-0.2 0.021 26.6-164.6 -64.1 173.0 29.5 20.8 -6.4 50 423 A K E +A 8 0A 120 -42,-0.3 2,-0.3 2,-0.0 -42,-0.3 -0.746 21.5 177.1-161.5 106.7 26.6 21.3 -8.8 51 424 A E E -A 7 0A 58 -44,-1.0 -44,-3.1 -2,-0.2 2,-0.7 -0.883 30.0-137.5-124.0 152.7 27.7 22.2 -12.3 52 425 A Q E -A 6 0A 75 -2,-0.3 2,-0.6 -46,-0.3 -46,-0.3 -0.859 24.9-172.4-109.4 98.1 26.0 22.8 -15.7 53 426 A Y E -A 5 0A 5 -48,-3.4 -48,-3.6 -2,-0.7 2,-0.6 -0.809 9.6-155.2 -95.2 122.6 28.0 21.0 -18.4 54 427 A T E +A 4 0A 83 -2,-0.6 2,-0.3 -50,-0.2 -50,-0.2 -0.846 23.6 168.3 -97.1 120.8 26.9 21.7 -22.0 55 428 A V E -A 3 0A 21 -52,-3.1 -52,-4.1 -2,-0.6 2,-0.4 -0.911 22.4-144.6-131.6 159.0 27.9 18.9 -24.4 56 429 A Q + 0 0 132 -2,-0.3 2,-0.2 -54,-0.3 3,-0.1 -0.982 33.4 125.3-130.8 130.3 27.1 17.9 -28.0 57 430 A G - 0 0 20 -2,-0.4 -55,-0.1 1,-0.3 -25,-0.1 -0.822 60.2 -30.3-156.4-167.0 26.6 14.5 -29.7 58 431 A F S S- 0 0 61 -2,-0.2 2,-1.4 1,-0.1 -1,-0.3 -0.069 71.2-101.7 -51.3 160.5 24.3 12.3 -31.8 59 432 A D - 0 0 64 -28,-0.1 -30,-0.2 -30,-0.1 -1,-0.1 -0.681 37.2-158.2 -93.2 88.5 20.6 13.0 -31.2 60 433 A V - 0 0 1 -2,-1.4 -29,-0.1 -31,-0.1 -34,-0.1 -0.440 23.5-119.8 -61.5 134.2 19.6 10.2 -28.9 61 434 A G S S- 0 0 9 -31,-0.2 31,-0.1 1,-0.2 -1,-0.1 0.902 79.1 -22.9 -41.2-100.9 15.8 10.0 -29.3 62 435 A D S S- 0 0 82 -3,-0.0 -1,-0.2 31,-0.0 -35,-0.1 0.295 93.1-107.4-102.7 9.0 13.9 10.6 -26.1 63 436 A I - 0 0 2 -33,-0.2 -36,-0.3 1,-0.1 3,-0.1 0.890 38.8-174.6 64.2 101.1 16.8 9.7 -23.7 64 437 A Q - 0 0 52 -38,-2.3 2,-0.2 1,-0.4 -37,-0.2 0.639 64.1 -20.9-102.7 -14.9 16.0 6.4 -22.2 65 438 A L B -I 26 0C 2 -39,-1.8 -39,-2.0 47,-0.2 -1,-0.4 -0.845 59.5-136.0 175.7 150.7 19.0 6.2 -19.8 66 439 A I E - G 0 111B 0 45,-2.0 45,-2.0 -2,-0.2 2,-0.3 -0.642 8.2-144.8-114.0 173.4 22.4 7.7 -19.3 67 440 A E E - G 0 110B 19 -43,-0.5 -43,-2.1 43,-0.2 2,-0.4 -0.926 5.9-161.0-145.0 114.7 25.8 6.2 -18.3 68 441 A L E -FG 23 109B 0 41,-1.8 41,-1.4 -2,-0.3 2,-0.4 -0.775 12.2-166.4 -93.4 137.2 28.4 8.0 -16.2 69 442 A H E -FG 22 108B 65 -47,-2.7 -47,-1.7 -2,-0.4 39,-0.2 -0.976 5.5-174.6-132.6 125.2 32.0 6.7 -16.4 70 443 A S - 0 0 1 37,-2.9 2,-0.1 -2,-0.4 -49,-0.1 -0.176 12.9-144.6 -98.3-168.4 34.9 7.4 -14.1 71 444 A D - 0 0 70 8,-0.2 2,-1.6 35,-0.1 -51,-0.5 -0.495 52.4 -71.9-168.0 92.0 38.6 6.5 -14.2 72 445 A G S S- 0 0 77 -53,-0.1 2,-0.2 -2,-0.1 8,-0.1 0.365 79.9-105.3 40.4 -5.1 40.8 5.7 -11.2 73 446 A G - 0 0 15 -2,-1.6 -53,-0.3 6,-0.2 2,-0.3 -0.519 50.4 -50.9 92.4-162.2 40.8 9.3 -10.2 74 447 A G - 0 0 45 -2,-0.2 -55,-0.1 -55,-0.1 -56,-0.0 -0.759 40.5-113.0-118.1 164.2 43.6 11.9 -10.5 75 448 A Y 0 0 229 -2,-0.3 -1,-0.1 -57,-0.1 -56,-0.0 0.983 360.0 360.0 -54.9 -77.9 47.3 12.0 -9.7 76 449 A W 0 0 265 -3,-0.1 -2,-0.1 -58,-0.1 -58,-0.0 0.975 360.0 360.0 -79.2 360.0 47.3 14.7 -7.0 77 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 78 452 A D 0 0 76 0, 0.0 2,-1.0 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 60.6 39.2 8.9 -3.2 79 453 A P + 0 0 47 0, 0.0 2,-0.7 0, 0.0 -8,-0.2 0.244 360.0 119.3 -59.0 21.1 38.4 8.9 -6.9 80 454 A D - 0 0 40 -2,-1.0 2,-0.5 -64,-0.2 26,-0.2 -0.842 54.3-156.8 -94.0 117.8 35.0 7.6 -5.7 81 455 A W E - C 0 105A 0 24,-1.4 24,-3.1 -2,-0.7 2,-1.1 -0.858 9.8-151.4-103.4 124.1 32.4 10.1 -6.7 82 456 A F E - C 0 104A 7 -67,-3.1 -72,-2.8 -2,-0.5 2,-0.3 -0.701 17.3-162.0 -96.6 85.9 29.1 10.4 -4.9 83 457 A V E -BC 9 103A 0 -2,-1.1 19,-2.0 20,-0.9 20,-1.1 -0.495 13.0-175.8 -70.4 124.4 26.7 11.6 -7.5 84 458 A N E - 0 0 14 -76,-1.9 17,-2.4 1,-0.3 2,-0.3 0.915 64.9 -24.2 -84.1 -48.9 23.5 13.1 -6.0 85 459 A R E -B 8 0A 86 -77,-1.4 -77,-1.1 15,-0.2 2,-0.4 -0.991 46.7-152.0-161.3 159.3 21.7 13.7 -9.3 86 460 A V E -B 7 0A 0 -2,-0.3 13,-1.4 13,-0.3 2,-0.5 -0.995 11.8-174.0-137.8 130.5 22.1 14.4 -13.0 87 461 A I E -BD 6 98A 29 -81,-2.2 -81,-2.3 -2,-0.4 2,-0.3 -0.917 9.6-179.2-130.7 105.8 19.6 16.4 -15.0 88 462 A I E -BD 5 97A 0 9,-1.1 9,-1.3 -2,-0.5 2,-0.4 -0.714 12.5-154.3-106.2 156.6 20.1 16.5 -18.7 89 463 A I E -B 4 0A 73 -85,-1.3 -85,-1.6 -2,-0.3 2,-0.5 -0.987 11.0-140.1-132.2 126.8 18.1 18.3 -21.4 90 464 A S E > -B 3 0A 2 -2,-0.4 3,-1.9 5,-0.4 5,-0.2 -0.717 11.5-141.9 -86.5 128.5 17.9 17.4 -25.1 91 465 A S T 3 S+ 0 0 71 -89,-1.3 -1,-0.1 -90,-0.5 -88,-0.1 0.138 106.8 44.0 -74.4 21.0 18.0 20.4 -27.4 92 466 A T T 3 S+ 0 0 63 1,-0.2 2,-0.4 -31,-0.1 -1,-0.3 0.244 103.4 72.3-143.0 2.1 15.4 18.4 -29.3 93 467 A Q < - 0 0 51 -3,-1.9 2,-0.6 2,-0.2 -3,-0.3 -0.990 68.4-143.3-129.8 127.2 13.2 17.1 -26.6 94 468 A D S S+ 0 0 121 -2,-0.4 2,-0.3 -3,-0.1 -3,-0.1 -0.006 72.4 92.5 -76.8 31.0 10.7 19.2 -24.6 95 469 A R S S- 0 0 44 -2,-0.6 2,-0.6 -5,-0.2 -5,-0.4 -0.772 70.1-132.3-122.1 167.4 11.4 17.3 -21.3 96 470 A V - 0 0 90 -2,-0.3 2,-0.5 -7,-0.1 -7,-0.2 -0.867 25.6-148.1-121.6 93.8 13.7 17.7 -18.3 97 471 A Y E -D 88 0A 15 -9,-1.3 -9,-1.1 -2,-0.6 2,-0.3 -0.492 11.5-163.0 -68.2 115.3 15.3 14.3 -17.6 98 472 A S E -D 87 0A 16 -2,-0.5 -11,-0.2 -11,-0.2 16,-0.1 -0.753 8.3-172.7 -96.7 144.2 16.0 13.8 -13.9 99 473 A F - 0 0 0 -13,-1.4 -13,-0.3 -2,-0.3 15,-0.1 -0.434 7.8-166.3-135.2 61.6 18.4 11.1 -12.9 100 474 A P + 0 0 10 0, 0.0 -15,-0.2 0, 0.0 12,-0.1 -0.184 22.2 153.7 -49.9 140.0 18.3 10.8 -9.1 101 475 A C + 0 0 1 -17,-2.4 -17,-0.2 521,-0.1 -16,-0.2 0.455 19.2 176.4-130.9 -82.2 21.3 8.7 -8.0 102 476 A F + 0 0 25 -19,-2.0 2,-0.3 1,-0.3 -18,-0.2 0.955 50.0 103.7 64.2 53.3 22.8 9.1 -4.5 103 477 A R E S-C 83 0A 22 -20,-1.1 -20,-0.9 -22,-0.1 -1,-0.3 -0.957 77.8 -88.4-152.5 163.4 25.4 6.4 -4.7 104 478 A W E -C 82 0A 13 -2,-0.3 2,-0.8 -22,-0.2 -22,-0.3 -0.524 31.6-141.2 -78.4 146.0 29.1 6.2 -5.1 105 479 A V E +C 81 0A 0 -24,-3.1 -24,-1.4 -2,-0.2 4,-0.1 -0.874 30.0 165.3-112.5 95.9 30.3 6.1 -8.7 106 480 A I S S- 0 0 102 -2,-0.8 -1,-0.2 2,-0.4 -25,-0.1 0.922 75.6 -30.0 -71.3 -95.0 33.3 3.7 -8.8 107 481 A K S S+ 0 0 57 1,-0.3 -37,-2.9 -38,-0.1 2,-0.3 0.894 127.3 3.5 -94.2 -52.5 34.0 2.8 -12.4 108 482 A D E -G 69 0B 65 -39,-0.2 -2,-0.4 2,-0.0 -1,-0.3 -0.846 51.6-172.0-132.1 170.0 30.5 3.0 -14.0 109 483 A M E -G 68 0B 31 -41,-1.4 -41,-1.8 -2,-0.3 2,-0.3 -0.586 9.6-157.6-167.3 96.8 26.9 4.0 -13.1 110 484 A V E -G 67 0B 38 -43,-0.2 2,-0.5 -2,-0.1 -43,-0.2 -0.605 16.3-165.3 -76.9 131.7 23.8 3.5 -15.3 111 485 A L E -G 66 0B 4 -45,-2.0 -45,-2.0 -2,-0.3 -10,-0.1 -0.955 9.0-151.8-127.3 120.1 21.0 5.9 -14.4 112 486 A F - 0 0 34 -2,-0.5 -47,-0.2 -47,-0.2 -48,-0.1 -0.514 34.2 -99.6 -81.1 152.6 17.3 5.5 -15.5 113 487 A P - 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -14,-0.1 0.384 52.9 -62.6 -56.0-161.4 15.2 8.7 -15.8 114 488 A G S S+ 0 0 10 511,-0.1 511,-0.2 -16,-0.1 512,-0.2 0.955 94.9 74.5 -49.5 -95.0 12.7 10.1 -13.3 115 489 A E S S- 0 0 116 510,-0.2 2,-0.2 1,-0.1 509,-0.0 0.140 75.3-122.6 -33.9 128.8 9.6 8.1 -12.5 116 490 A A - 0 0 7 270,-0.1 2,-0.3 271,-0.0 270,-0.2 -0.506 35.6-161.2 -74.9 145.6 10.0 5.0 -10.3 117 491 A T - 0 0 38 268,-1.3 371,-0.1 -2,-0.2 -1,-0.0 -0.931 23.3-125.1-135.0 158.0 8.8 1.8 -11.8 118 492 A L > - 0 0 8 -2,-0.3 3,-1.1 268,-0.2 380,-0.0 -0.664 43.5-108.5 -89.4 151.7 7.7 -1.8 -11.1 119 493 A P T 3 S+ 0 0 27 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.764 118.1 49.1 -54.4 -25.2 9.7 -4.3 -13.1 120 494 A F T 3 S+ 0 0 87 374,-0.1 3,-0.2 2,-0.1 378,-0.0 0.697 84.0 108.8 -90.3 -19.8 6.7 -5.0 -15.3 121 495 A N S < S- 0 0 37 -3,-1.1 2,-0.7 1,-0.2 -4,-0.1 0.010 92.8 -67.5 -51.5 165.1 5.7 -1.5 -16.2 122 496 A E + 0 0 110 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.444 69.7 164.0 -63.1 106.0 6.3 -0.3 -19.8 123 497 A V - 0 0 33 -2,-0.7 5,-0.1 -3,-0.2 -1,-0.0 -0.987 41.9-108.8-129.2 126.7 10.0 -0.2 -20.1 124 498 A P >> - 0 0 50 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.201 39.7-106.0 -52.9 143.1 12.0 -0.1 -23.4 125 499 A A G >4 S+ 0 0 90 1,-0.3 3,-1.3 2,-0.2 5,-0.3 0.858 119.9 45.1 -32.6 -62.8 13.8 -3.3 -24.2 126 500 A I G 34 S+ 0 0 76 1,-0.3 -1,-0.3 3,-0.1 4,-0.2 0.794 103.3 62.2 -57.8 -35.7 17.2 -1.9 -23.3 127 501 A V G <4 S+ 0 0 16 -3,-1.1 -1,-0.3 3,-0.1 4,-0.2 0.742 108.4 50.0 -65.9 -21.3 16.1 -0.2 -20.1 128 502 A S S << S+ 0 0 39 -3,-1.3 0, 0.0 -4,-1.3 0, 0.0 -0.531 106.1 41.6 -99.5 177.4 15.2 -3.6 -18.8 129 503 A E S S+ 0 0 120 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.221 116.7 59.7 67.3 -25.2 18.0 -6.2 -19.3 130 504 A Q S > S+ 0 0 40 -5,-0.3 4,-1.5 -4,-0.2 -1,-0.2 0.666 111.1 36.9 -99.5 -28.5 19.8 -3.1 -18.1 131 505 A R H > S+ 0 0 10 2,-0.2 4,-2.0 -4,-0.2 5,-0.2 0.902 118.2 46.3 -85.5 -55.1 17.7 -3.2 -14.9 132 506 A Q H > S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.861 109.3 66.7 -54.6 -27.5 17.7 -6.9 -14.6 133 507 A K H >> S+ 0 0 123 1,-0.2 3,-1.2 2,-0.2 4,-1.2 0.986 99.7 41.9 -54.6 -67.7 21.3 -6.2 -15.3 134 508 A E H 3X S+ 0 0 37 -4,-1.5 4,-2.5 1,-0.3 3,-0.4 0.841 107.8 62.5 -51.7 -38.1 22.0 -4.3 -12.1 135 509 A L H 3X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.3 -1,-0.3 0.859 99.6 53.0 -58.5 -36.9 20.0 -6.9 -10.0 136 510 A E H << S+ 0 0 65 -4,-1.5 -1,-0.3 -3,-1.2 -2,-0.2 0.873 112.1 48.0 -65.4 -33.7 22.4 -9.7 -11.0 137 511 A Q H >X S+ 0 0 51 -4,-1.2 4,-1.5 -3,-0.4 3,-1.4 0.884 108.3 52.3 -73.0 -40.8 25.2 -7.4 -9.8 138 512 A R H 3X S+ 0 0 18 -4,-2.5 4,-0.7 1,-0.3 3,-0.3 0.918 104.8 55.4 -61.9 -45.2 23.5 -6.5 -6.4 139 513 A K H 3< S+ 0 0 72 -4,-2.2 -1,-0.3 241,-0.3 -2,-0.2 0.320 111.4 49.6 -70.9 12.6 22.9 -10.2 -5.6 140 514 A L H <4 S+ 0 0 119 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.660 113.2 38.8-118.9 -34.1 26.7 -10.4 -6.1 141 515 A T H < S+ 0 0 84 -4,-1.5 2,-0.2 -3,-0.3 -2,-0.2 0.210 119.5 49.2-103.5 11.8 28.0 -7.6 -4.0 142 516 A Y S < S+ 0 0 6 -4,-0.7 2,-0.3 -5,-0.2 -1,-0.2 -0.673 74.5 158.6-149.2 85.5 25.5 -8.2 -1.2 143 517 A Q - 0 0 79 13,-0.2 13,-2.5 -3,-0.2 -3,-0.1 -0.876 39.3-102.2-117.9 151.0 25.4 -11.8 -0.2 144 518 A W E +J 155 0D 24 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.152 34.4 173.9 -63.9 157.5 24.2 -13.5 3.0 145 519 A D E -J 154 0D 70 9,-1.5 9,-2.7 11,-0.1 2,-0.4 -0.933 15.9-147.7-158.0 148.9 26.4 -14.8 5.8 146 520 A Y - 0 0 60 -2,-0.3 3,-0.1 7,-0.2 7,-0.1 -0.954 17.2-161.5-128.0 146.3 25.4 -16.3 9.1 147 521 A V S S- 0 0 104 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.778 82.4 -12.4 -89.6 -32.0 27.0 -16.2 12.5 148 522 A S > - 0 0 30 3,-0.2 3,-1.1 4,-0.1 -1,-0.3 -0.975 67.2-101.8-159.2 169.4 24.9 -19.1 13.7 149 523 A D T 3 S+ 0 0 107 -2,-0.3 367,-0.3 1,-0.2 4,-0.1 0.727 118.1 53.3 -71.2 -17.4 21.9 -21.3 12.9 150 524 A D T 3 S+ 0 0 32 2,-0.1 -1,-0.2 365,-0.1 286,-0.2 0.016 94.4 75.1-109.8 31.2 19.9 -19.3 15.5 151 525 A M S < S- 0 0 22 -3,-1.1 -3,-0.2 285,-0.1 363,-0.2 -0.997 88.6 -96.6-139.0 141.4 20.4 -15.7 14.4 152 526 A P - 0 0 6 0, 0.0 -5,-0.3 0, 0.0 361,-0.2 -0.222 53.3 -95.3 -56.4 145.1 18.9 -13.8 11.5 153 527 A G - 0 0 0 359,-2.7 2,-0.2 358,-0.3 -7,-0.2 -0.252 47.2-167.1 -61.0 150.5 21.1 -13.8 8.4 154 528 A N E -J 145 0D 13 -9,-2.7 -9,-1.5 -3,-0.1 2,-0.2 -0.796 29.3 -72.5-133.7 175.7 23.3 -10.8 7.9 155 529 A I E -J 144 0D 5 -2,-0.2 2,-0.2 -11,-0.2 -11,-0.2 -0.504 48.0-117.3 -74.4 134.8 25.4 -9.1 5.2 156 530 A K + 0 0 82 -13,-2.5 -13,-0.2 -2,-0.2 2,-0.2 -0.529 62.0 119.0 -72.2 134.7 28.7 -10.8 4.4 157 531 A A - 0 0 19 -2,-0.2 6,-0.1 6,-0.1 3,-0.1 -0.514 52.2-144.6 165.1 123.6 31.7 -8.6 5.2 158 532 A K S S+ 0 0 145 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.976 86.1 9.2 -66.4 -55.3 34.7 -9.0 7.5 159 533 A T S >> S- 0 0 88 1,-0.1 3,-2.0 249,-0.0 4,-0.8 -0.778 82.0-101.8-123.5 169.5 34.9 -5.4 8.5 160 534 A H G >4 S+ 0 0 12 1,-0.3 3,-2.2 -2,-0.3 -1,-0.1 0.962 124.5 50.7 -50.3 -58.5 33.0 -2.2 8.0 161 535 A D G 34 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.506 101.1 68.4 -61.6 -0.4 35.3 -1.1 5.3 162 536 A D G <4 S+ 0 0 69 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.735 86.6 79.1 -90.1 -25.4 34.8 -4.5 3.8 163 537 A L S << S- 0 0 4 -3,-2.2 5,-0.1 -4,-0.8 -6,-0.1 -0.428 100.1 -67.8 -84.5 159.5 31.2 -3.9 2.8 164 538 A P >> - 0 0 32 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.080 40.5-125.5 -44.8 133.4 29.9 -1.9 -0.2 165 539 A R G >4 S+ 0 0 70 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.819 107.6 67.6 -53.9 -33.0 30.5 1.8 -0.1 166 540 A D G 34 S+ 0 0 43 1,-0.2 -1,-0.3 -62,-0.1 -3,-0.0 0.811 109.7 36.1 -57.5 -29.6 26.8 2.5 -0.6 167 541 A V G <4 S+ 0 0 5 -3,-2.0 234,-0.5 230,-0.1 231,-0.4 0.539 95.8 111.4-101.2 -9.3 26.2 1.0 2.9 168 542 A Q S << S- 0 0 32 -4,-1.0 2,-0.2 -3,-0.5 233,-0.1 -0.151 77.2 -88.5 -66.5 160.3 29.3 2.3 4.7 169 543 A F - 0 0 16 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.458 42.2-113.6 -70.3 136.2 29.4 4.9 7.4 170 544 A T > - 0 0 19 -2,-0.2 4,-2.5 1,-0.1 5,-0.3 -0.342 32.7-108.3 -64.0 150.9 29.7 8.5 6.3 171 545 A D H > S+ 0 0 86 -158,-0.3 4,-3.9 1,-0.3 5,-0.2 0.915 126.2 53.6 -48.3 -40.8 33.1 9.9 7.4 172 546 A E H > S+ 0 0 66 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.909 105.4 50.1 -60.4 -46.2 30.9 11.8 9.8 173 547 A K H > S+ 0 0 12 2,-0.2 4,-2.9 -3,-0.2 -1,-0.2 0.899 117.1 41.8 -60.2 -41.2 29.2 8.7 11.2 174 548 A S H X S+ 0 0 23 -4,-2.5 4,-3.9 2,-0.2 5,-0.3 0.954 116.3 48.2 -68.6 -51.2 32.6 7.1 11.7 175 549 A R H X S+ 0 0 36 -4,-3.9 4,-2.6 -5,-0.3 5,-0.3 0.913 117.6 42.0 -54.6 -46.5 34.1 10.3 13.1 176 550 A S H X S+ 0 0 16 -4,-3.8 4,-2.9 -5,-0.2 5,-0.2 0.944 115.9 51.2 -67.2 -45.2 31.1 10.7 15.4 177 551 A Y H X S+ 0 0 25 -4,-2.9 4,-1.3 -5,-0.3 -2,-0.2 0.939 117.4 37.0 -54.3 -56.5 31.2 7.0 16.2 178 552 A Q H <>S+ 0 0 105 -4,-3.9 5,-0.7 2,-0.2 6,-0.3 0.930 116.8 49.4 -64.6 -51.8 34.9 7.0 17.1 179 553 A E H <>S+ 0 0 63 -4,-2.6 5,-0.5 -5,-0.3 -2,-0.2 0.967 118.1 43.1 -51.8 -51.1 35.0 10.4 18.8 180 554 A S H <5S+ 0 0 9 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.756 99.2 99.9 -63.9 -27.0 32.0 9.1 20.7 181 555 A R T ><5S- 0 0 62 -4,-1.3 3,-4.1 -5,-0.2 4,-0.3 0.203 113.8 -59.3 -47.1-179.3 33.7 5.8 21.1 182 556 A K T 3>5S+ 0 0 36 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.493 133.3 81.6 -49.7 2.5 35.5 5.1 24.4 183 557 A A H >>4>S+ 0 0 38 -4,-0.3 5,-1.1 -3,-0.3 3,-0.9 0.901 92.6 50.6 -70.1 -40.1 34.9 7.8 27.9 186 560 A V H X<5S+ 0 0 97 -3,-1.1 3,-0.8 -4,-0.6 -2,-0.2 0.816 104.3 55.6 -64.3 -37.5 37.7 10.2 28.9 187 561 A N T 3<5S+ 0 0 127 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.537 101.1 60.7 -75.3 -7.5 35.6 13.3 28.4 188 562 A L T < 5S- 0 0 4 -3,-0.9 24,-0.6 -4,-0.3 -1,-0.2 0.645 107.7-126.7 -92.5 -16.4 33.0 11.8 30.9 189 563 A G T < 5S+ 0 0 52 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.910 77.7 114.5 71.6 44.8 35.6 11.8 33.6 190 564 A I >>< + 0 0 2 -5,-1.1 3,-1.3 2,-0.1 4,-0.9 0.573 32.7 109.5-116.4 -20.0 35.2 8.1 34.4 191 565 A G H >> S+ 0 0 39 -6,-0.5 4,-0.6 1,-0.3 3,-0.5 0.695 79.7 48.5 -25.2 -49.4 38.6 6.8 33.3 192 566 A S H >4 S+ 0 0 80 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.914 100.0 63.6 -67.0 -43.9 39.7 6.1 36.9 193 567 A L H X4 S+ 0 0 26 -3,-1.3 3,-1.1 1,-0.3 -1,-0.2 0.758 92.8 68.0 -52.1 -27.8 36.6 4.2 38.0 194 568 A F H << S+ 0 0 54 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.929 102.0 42.2 -59.5 -48.1 37.4 1.6 35.4 195 569 A T T << S+ 0 0 111 -3,-1.1 2,-0.7 -4,-0.6 -1,-0.3 0.370 100.8 93.5 -80.3 6.2 40.5 0.4 37.3 196 570 A M < + 0 0 87 -3,-1.1 398,-1.2 -4,-0.3 399,-0.2 -0.880 44.8 171.4-106.5 109.0 38.5 0.7 40.5 197 571 A F + 0 0 147 -2,-0.7 -1,-0.1 396,-0.2 395,-0.1 0.114 42.7 113.5-102.9 20.8 36.8 -2.6 41.5 198 572 A E - 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0 0 0 -4,-2.4 4,-1.6 -3,-0.3 5,-0.1 -0.326 51.9-175.2 -58.1 92.4 5.8 -7.6 -9.0 499 893 A N H > S+ 0 0 84 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.867 79.7 55.4 -57.5 -37.5 8.4 -10.3 -9.4 500 894 A E H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 106.9 43.9 -63.3 -54.3 10.8 -8.0 -7.5 501 895 A I H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.791 112.4 57.7 -63.1 -24.4 8.9 -7.4 -4.3 502 896 A Q H X S+ 0 0 30 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.920 108.0 43.8 -70.8 -42.0 8.1 -11.1 -4.4 503 897 A S H X S+ 0 0 39 -4,-1.9 4,-2.9 -3,-0.2 -2,-0.2 0.888 111.2 57.7 -67.5 -40.3 11.8 -12.0 -4.4 504 898 A W H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.9 0.979 109.8 39.2 -51.4 -75.0 12.4 -9.4 -1.6 505 899 A I H 3X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.3 -1,-0.2 0.679 118.3 53.0 -50.8 -21.9 10.0 -10.8 1.0 506 900 A Y H 3X S+ 0 0 119 -4,-0.9 4,-2.8 2,-0.2 5,-0.4 0.848 98.6 59.0 -85.0 -37.7 11.1 -14.3 -0.1 507 901 A D H S+ 0 0 21 -4,-2.9 4,-1.7 -3,-0.9 5,-0.8 0.892 111.8 44.2 -57.5 -37.3 14.8 -13.8 0.4 508 902 A V H <>S+ 0 0 0 -4,-1.4 5,-3.2 3,-0.3 -1,-0.2 0.827 112.0 54.3 -74.1 -34.4 14.0 -12.9 4.0 509 903 A H H <5S+ 0 0 50 -4,-0.9 6,-0.4 -5,-0.2 -2,-0.2 0.911 122.6 23.8 -66.2 -47.4 11.6 -15.9 4.2 510 904 A K H <5S+ 0 0 42 -4,-2.8 -2,-0.2 4,-0.1 -3,-0.2 0.644 145.8 12.9 -95.8 -19.4 14.0 -18.6 3.1 511 905 A N T <5S+ 0 0 54 -4,-1.7 3,-0.3 -5,-0.4 -358,-0.3 0.524 119.4 61.4-132.8 -13.9 17.3 -16.9 4.0 512 906 A G T - 0 0 22 1,-0.1 4,-0.7 -35,-0.1 -39,-0.0 -0.577 68.0-118.9-127.1-171.8 -2.3 -8.0 -1.5 531 925 A R H > S+ 0 0 79 -2,-0.2 4,-3.2 2,-0.2 5,-0.2 0.813 114.3 57.1 -95.0 -44.3 -1.5 -4.3 -1.3 532 926 A E H > S+ 0 0 69 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.740 109.6 47.9 -56.8 -25.5 -2.7 -4.1 2.3 533 927 A Q H > S+ 0 0 50 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.907 109.3 48.9 -81.7 -48.1 -0.2 -6.9 3.1 534 928 A L H X S+ 0 0 0 -4,-0.7 4,-2.5 1,-0.2 5,-0.3 0.942 113.1 52.0 -54.6 -45.7 2.8 -5.3 1.4 535 929 A K H X S+ 0 0 63 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.898 107.3 52.1 -55.1 -46.2 1.7 -2.2 3.3 536 930 A E H X S+ 0 0 90 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.953 113.1 41.2 -59.5 -55.5 1.7 -4.1 6.6 537 931 A V H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.992 116.4 49.6 -56.0 -63.1 5.2 -5.6 6.2 538 932 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.866 111.1 49.9 -43.8 -48.8 6.6 -2.3 4.9 539 933 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 5,-0.3 0.964 111.6 46.6 -58.5 -54.0 5.1 -0.3 7.7 540 934 A S H X S+ 0 0 4 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.977 112.7 52.5 -48.7 -62.4 6.3 -2.6 10.5 541 935 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.855 114.8 37.6 -41.0 -58.7 9.8 -2.6 8.9 542 936 A V H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.861 112.9 57.5 -68.6 -33.7 10.2 1.2 8.7 543 937 A F H <>S+ 0 0 4 -4,-2.9 5,-3.0 -5,-0.3 6,-0.2 0.867 110.6 45.2 -63.0 -32.9 8.5 1.8 12.0 544 938 A T H <>S+ 0 0 1 -4,-2.3 5,-1.6 -5,-0.3 -2,-0.2 0.884 109.0 54.2 -76.5 -40.2 11.1 -0.5 13.6 545 939 A F H <5S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.852 129.8 14.1 -61.4 -34.2 14.0 1.1 11.7 546 940 A S T X5S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.703 132.4 25.3-103.5 -95.5 12.9 4.5 13.1 547 941 A C H >5S+ 0 0 0 -5,-0.2 4,-2.5 1,-0.2 5,-0.2 0.860 121.6 49.9 -40.7 -58.4 10.3 4.8 15.9 548 942 A Q H >XS+ 0 0 1 -5,-1.6 4,-1.8 -6,-0.2 5,-0.5 0.906 113.3 49.6 -51.8 -48.3 14.7 1.9 17.7 550 944 A A H X5S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 5,-0.4 0.920 110.7 47.6 -61.2 -44.2 14.6 5.4 19.0 551 945 A A H <5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.696 121.1 38.2 -69.9 -19.6 12.1 4.7 21.8 552 946 A V H <5S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.541 128.9 27.5-108.0 -13.5 14.1 1.7 23.0 553 947 A N H ><5S+ 0 0 0 -4,-1.8 3,-2.6 -5,-0.2 -3,-0.2 0.769 115.6 50.3-113.3 -61.9 17.6 3.0 22.4 554 948 A F T 3< S+ 0 0 1 -5,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.469 74.9 91.7 -89.1 2.5 15.9 6.4 26.0 556 950 A Q H <>>S+ 0 0 0 -3,-2.6 4,-1.7 1,-0.2 5,-0.6 0.780 71.2 61.7 -69.6 -30.9 19.1 5.0 27.6 557 951 A K H 45S+ 0 0 26 -3,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.900 114.3 38.2 -62.4 -38.3 20.8 8.1 28.9 558 952 A D H >5S+ 0 0 25 -3,-0.3 4,-0.5 -4,-0.3 -337,-0.2 0.940 121.1 45.3 -74.2 -49.3 17.7 8.6 31.1 559 953 A H H ><5S+ 0 0 4 -4,-2.1 3,-0.6 1,-0.2 6,-0.2 0.988 129.4 20.3 -56.1 -73.8 17.2 5.0 31.9 560 954 A Y T 3<5S+ 0 0 14 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.532 96.5 105.3 -77.7 -8.8 20.7 3.7 32.7 561 955 A G T 34 S+ 0 0 6 -2,-0.7 3,-1.0 -3,-0.5 -1,-0.1 0.626 88.6 70.5 -32.3 -29.6 22.8 2.9 37.2 564 958 A P G 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.711 94.5 57.6 -68.9 -11.7 21.0 2.3 40.5 565 959 A N G < S+ 0 0 16 -3,-3.8 -2,-0.2 1,-0.2 -5,-0.1 0.671 126.8 12.0 -87.6 -18.8 17.8 2.8 38.5 566 960 A A S < S- 0 0 3 -3,-1.0 -1,-0.2 -4,-0.3 -3,-0.1 -0.408 81.3-159.4-157.4 68.6 18.5 -0.0 36.0 567 961 A P - 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0 0 32 -2,-0.7 5,-0.1 -3,-0.2 -1,-0.0 -0.987 41.9-108.8-129.1 126.6 41.5 63.1 -94.7 797 498 B P >> - 0 0 49 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.201 39.7-106.0 -52.9 143.1 41.3 63.1 -98.5 798 499 B A G >4 S+ 0 0 91 1,-0.3 3,-1.3 2,-0.2 5,-0.3 0.858 119.9 45.1 -32.6 -62.7 40.0 66.5 -99.8 799 500 B I G 34 S+ 0 0 74 1,-0.3 -1,-0.3 3,-0.1 4,-0.2 0.794 103.3 62.2 -57.9 -35.8 36.6 65.1 -100.6 800 501 B V G <4 S+ 0 0 15 -3,-1.1 -1,-0.3 3,-0.1 4,-0.2 0.742 108.4 50.1 -65.8 -21.4 36.1 63.3 -97.3 801 502 B S S << S+ 0 0 39 -3,-1.3 0, 0.0 -4,-1.3 0, 0.0 -0.530 106.1 41.6 -99.5 177.4 36.4 66.7 -95.7 802 503 B E S S+ 0 0 119 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.221 116.7 59.7 67.2 -25.1 34.1 69.3 -97.2 803 504 B Q S > S+ 0 0 39 -5,-0.3 4,-1.5 -4,-0.2 -1,-0.2 0.665 111.1 36.9 -99.6 -28.4 31.9 66.3 -97.1 804 505 B R H > S+ 0 0 11 2,-0.2 4,-2.0 -4,-0.2 5,-0.2 0.902 118.2 46.3 -85.6 -55.1 32.4 66.2 -93.3 805 506 B Q H > S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.862 109.3 66.8 -54.7 -27.5 32.4 70.0 -92.9 806 507 B K H >> S+ 0 0 119 1,-0.2 3,-1.2 2,-0.2 4,-1.2 0.985 99.7 41.9 -54.7 -67.7 29.4 69.3 -95.2 807 508 B E H 3X S+ 0 0 36 -4,-1.5 4,-2.5 1,-0.3 3,-0.3 0.840 107.8 62.5 -51.7 -38.0 27.3 67.5 -92.6 808 509 B L H 3X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.3 -1,-0.3 0.860 99.6 52.9 -58.5 -36.8 28.2 69.9 -89.8 809 510 B E H << S+ 0 0 63 -4,-1.5 -1,-0.3 -3,-1.2 -2,-0.2 0.873 112.1 48.0 -65.6 -33.6 26.6 72.8 -91.7 810 511 B Q H >X S+ 0 0 52 -4,-1.2 4,-1.5 -3,-0.3 3,-1.4 0.884 108.3 52.3 -73.1 -40.7 23.5 70.6 -91.9 811 512 B R H 3X S+ 0 0 17 -4,-2.5 4,-0.7 1,-0.3 3,-0.3 0.919 104.7 55.4 -61.9 -45.1 23.5 69.6 -88.2 812 513 B K H 3< S+ 0 0 74 -4,-2.2 -1,-0.3 241,-0.3 -2,-0.2 0.321 111.4 49.6 -71.0 12.6 23.7 73.2 -87.1 813 514 B L H <4 S+ 0 0 119 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.660 113.2 38.8-118.9 -34.0 20.5 73.6 -89.2 814 515 B T H < S+ 0 0 86 -4,-1.5 2,-0.2 -3,-0.3 -2,-0.2 0.212 119.5 49.2-103.6 11.8 18.4 70.7 -88.0 815 516 B Y S < S+ 0 0 5 -4,-0.7 2,-0.3 -5,-0.2 -1,-0.2 -0.674 74.5 158.6-149.2 85.4 19.4 71.2 -84.4 816 517 B Q - 0 0 77 13,-0.2 13,-2.5 -3,-0.2 -3,-0.1 -0.877 39.3-102.1-117.8 151.0 19.1 74.8 -83.3 817 518 B W E +Z 828 0K 24 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.152 34.4 173.8 -63.8 157.5 18.8 76.4 -79.8 818 519 B D E -Z 827 0K 71 9,-1.5 9,-2.7 11,-0.1 2,-0.4 -0.933 15.9-147.7-158.0 148.9 15.6 77.7 -78.3 819 520 B Y - 0 0 60 -2,-0.3 3,-0.1 7,-0.2 7,-0.1 -0.954 17.2-161.5-128.1 146.3 15.0 79.0 -74.8 820 521 B V S S- 0 0 104 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.779 82.4 -12.4 -89.6 -32.0 12.1 78.9 -72.5 821 522 B S > - 0 0 31 3,-0.2 3,-1.1 4,-0.1 -1,-0.3 -0.975 67.2-101.8-159.2 169.4 13.5 81.8 -70.4 822 523 B D T 3 S+ 0 0 108 -2,-0.3 367,-0.3 1,-0.2 4,-0.1 0.726 118.1 53.3 -71.1 -17.4 16.6 83.8 -69.7 823 524 B D T 3 S+ 0 0 34 2,-0.1 -1,-0.2 365,-0.1 286,-0.2 0.016 94.4 75.1-109.8 31.2 17.1 81.7 -66.6 824 525 B M S < S- 0 0 21 -3,-1.1 -3,-0.2 285,-0.1 363,-0.2 -0.997 88.6 -96.7-139.0 141.3 17.1 78.2 -67.9 825 526 B P - 0 0 5 0, 0.0 -5,-0.3 0, 0.0 361,-0.2 -0.221 53.3 -95.2 -56.3 145.1 19.7 76.3 -69.9 826 527 B G - 0 0 0 359,-2.7 2,-0.2 358,-0.3 -7,-0.2 -0.252 47.2-167.1 -61.0 150.5 19.1 76.4 -73.6 827 528 B N E -Z 818 0K 14 -9,-2.7 -9,-1.5 -3,-0.1 2,-0.2 -0.797 29.3 -72.6-133.7 175.7 17.3 73.5 -75.2 828 529 B I E -Z 817 0K 3 -2,-0.2 2,-0.2 -11,-0.2 -11,-0.2 -0.503 48.0-117.3 -74.3 134.8 16.6 72.0 -78.6 829 530 B K + 0 0 85 -13,-2.5 -13,-0.2 -2,-0.2 2,-0.2 -0.529 62.0 119.0 -72.1 134.6 14.0 73.8 -80.7 830 531 B A - 0 0 18 -2,-0.2 6,-0.1 6,-0.1 3,-0.1 -0.514 52.2-144.6 165.1 123.6 11.0 71.6 -81.5 831 532 B K S S+ 0 0 146 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.976 86.1 9.2 -66.4 -55.3 7.3 72.1 -80.6 832 533 B T S >> S- 0 0 88 1,-0.1 3,-2.0 249,-0.0 4,-0.8 -0.778 82.1-101.8-123.5 169.5 6.5 68.5 -80.0 833 534 B H G >4 S+ 0 0 12 1,-0.3 3,-2.2 -2,-0.3 -1,-0.1 0.962 124.5 50.7 -50.2 -58.5 8.4 65.3 -79.7 834 535 B D G 34 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.505 101.1 68.4 -61.7 -0.4 7.5 64.2 -83.2 835 536 B D G <4 S+ 0 0 69 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.734 86.7 79.1 -90.1 -25.4 8.8 67.7 -84.2 836 537 B L S << S- 0 0 4 -3,-2.2 5,-0.1 -4,-0.8 -6,-0.1 -0.428 100.1 -67.8 -84.5 159.4 12.4 67.0 -83.4 837 538 B P >> - 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0 0 0 -3,-1.8 2,-0.3 -4,-0.2 81,-0.1 -0.453 39.6-175.8 -71.4 146.3 24.4 75.9 -61.3 1113 834 B N > - 0 0 25 83,-0.1 3,-2.7 -2,-0.1 4,-0.5 -0.995 36.3-123.4-142.1 140.6 28.1 75.5 -62.3 1114 835 B L G > S+ 0 0 16 81,-2.2 3,-0.8 -2,-0.3 82,-0.1 0.740 109.0 70.9 -56.0 -22.9 29.7 72.8 -64.3 1115 836 B Q G > S+ 0 0 129 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.605 88.2 66.1 -71.3 -8.5 32.1 72.2 -61.3 1116 837 B D G < S+ 0 0 65 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 89.8 62.4 -79.9 -32.6 29.0 70.8 -59.5 1117 838 B Y G < S+ 0 0 19 -3,-0.8 2,-1.0 -4,-0.5 -1,-0.2 0.398 79.4 95.7 -75.0 3.8 28.8 67.8 -61.9 1118 839 B H <> - 0 0 13 -3,-0.6 4,-3.0 1,-0.2 5,-0.2 -0.813 61.7-164.0 -97.4 99.0 32.3 66.6 -60.8 1119 840 B L H > S+ 0 0 10 -2,-1.0 4,-3.7 1,-0.2 5,-0.3 0.898 83.6 49.7 -47.1 -58.5 31.4 64.0 -58.1 1120 841 B P H > S+ 0 0 31 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.904 117.4 40.8 -48.8 -51.5 34.8 63.8 -56.5 1121 842 B N H > S+ 0 0 78 2,-0.2 4,-4.0 3,-0.2 5,-0.2 0.978 117.3 47.9 -61.3 -59.1 35.1 67.6 -56.2 1122 843 B A H X S+ 0 0 29 -4,-3.0 4,-0.5 -7,-0.3 6,-0.2 0.952 113.7 46.9 -45.7 -63.8 31.5 68.0 -55.1 1123 844 B L H ><>S+ 0 0 3 -4,-3.7 3,-1.5 1,-0.2 5,-1.4 0.927 117.2 44.1 -44.5 -55.9 31.7 65.3 -52.6 1124 845 B K H ><5S+ 0 0 147 -4,-2.5 3,-1.6 -5,-0.3 5,-0.3 0.891 106.5 58.7 -58.6 -46.1 35.0 66.6 -51.2 1125 846 B K H 3<5S+ 0 0 93 -4,-4.0 -1,-0.3 1,-0.3 -2,-0.2 0.491 105.4 54.5 -64.9 -0.7 33.9 70.3 -51.2 1126 847 B R T <<5S- 0 0 36 -3,-1.5 -207,-3.8 -4,-0.5 -1,-0.3 0.553 108.2-119.1-109.7 -11.6 31.1 69.2 -48.9 1127 848 B G T < 5S+ 0 0 8 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.779 91.1 107.8 75.6 27.5 33.1 67.5 -46.1 1128 849 B V < + 0 0 0 -5,-1.4 -4,-0.2 -6,-0.2 -5,-0.1 0.322 49.1 93.7-113.3 -2.0 31.2 64.3 -47.0 1129 850 B D + 0 0 68 -6,-0.5 -5,-0.1 -5,-0.3 -1,-0.1 0.754 64.3 86.6 -63.4 -33.2 34.3 62.9 -48.5 1130 851 B D > - 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0 0 0 -4,-2.4 4,-1.6 -3,-0.3 5,-0.1 -0.325 51.9-175.1 -58.1 92.4 40.5 70.1 -82.5 1172 893 B N H > S+ 0 0 89 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.867 79.7 55.4 -57.5 -37.4 38.3 72.9 -84.0 1173 894 B E H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.953 106.9 43.9 -63.4 -54.3 35.3 70.7 -83.4 1174 895 B I H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.791 112.4 57.7 -63.1 -24.5 35.6 69.9 -79.7 1175 896 B Q H X S+ 0 0 30 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.920 108.1 43.8 -70.7 -42.1 36.4 73.6 -79.4 1176 897 B S H X S+ 0 0 41 -4,-1.9 4,-2.9 -3,-0.2 -2,-0.2 0.887 111.2 57.7 -67.5 -40.3 33.1 74.6 -80.9 1177 898 B W H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-0.9 0.979 109.8 39.2 -51.4 -75.1 31.3 72.0 -78.9 1178 899 B I H 3X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.3 -1,-0.2 0.678 118.3 53.1 -50.8 -21.9 32.3 73.2 -75.4 1179 900 B Y H 3X S+ 0 0 118 -4,-0.9 4,-2.8 2,-0.2 5,-0.4 0.848 98.6 59.0 -85.0 -37.7 31.9 76.8 -76.7 1180 901 B D H S+ 0 0 21 -4,-2.9 4,-1.7 -3,-0.9 5,-0.8 0.892 111.8 44.2 -57.7 -37.3 28.3 76.4 -78.0 1181 902 B V H <>S+ 0 0 0 -4,-1.4 5,-3.2 3,-0.3 -1,-0.2 0.827 112.0 54.3 -74.1 -34.5 27.4 75.4 -74.4 1182 903 B H H <5S+ 0 0 51 -4,-0.9 6,-0.4 -5,-0.2 -2,-0.2 0.912 122.6 23.8 -66.2 -47.4 29.5 78.3 -73.0 1183 904 B K H <5S+ 0 0 41 -4,-2.8 -2,-0.2 4,-0.1 -3,-0.2 0.644 145.8 12.9 -95.9 -19.4 27.9 81.1 -75.0 1184 905 B N T <5S+ 0 0 55 -4,-1.7 3,-0.3 -5,-0.4 -358,-0.3 0.524 119.4 61.5-132.8 -13.9 24.5 79.5 -75.8 1185 906 B G T - 0 0 24 1,-0.1 4,-0.7 -35,-0.1 -39,-0.0 -0.577 68.0-118.9-127.1-171.8 44.4 70.0 -72.2 1204 925 B R H > S+ 0 0 78 -2,-0.2 4,-3.2 2,-0.2 5,-0.2 0.813 114.3 57.1 -95.0 -44.2 43.4 66.4 -72.5 1205 926 B E H > S+ 0 0 67 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.740 109.6 47.9 -56.7 -25.5 43.0 66.1 -68.7 1206 927 B Q H > S+ 0 0 48 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.907 109.3 48.9 -81.7 -48.1 40.4 68.9 -69.0 1207 928 B L H X S+ 0 0 0 -4,-0.7 4,-2.5 1,-0.2 5,-0.3 0.942 113.1 52.0 -54.6 -45.7 38.5 67.5 -72.0 1208 929 B K H X S+ 0 0 61 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.898 107.3 52.1 -55.0 -46.2 38.5 64.3 -69.9 1209 930 B E H X S+ 0 0 92 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.953 113.1 41.2 -59.5 -55.5 37.1 66.2 -66.9 1210 931 B V H X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.992 116.4 49.6 -56.0 -63.1 34.1 67.7 -68.7 1211 932 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.865 111.1 49.9 -43.8 -48.9 33.4 64.6 -70.7 1212 933 B T H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.3 5,-0.3 0.963 111.6 46.6 -58.5 -53.9 33.5 62.5 -67.5 1213 934 B S H X S+ 0 0 4 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.977 112.7 52.5 -48.8 -62.4 31.2 64.7 -65.5 1214 935 B L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.856 114.8 37.6 -40.9 -58.8 28.8 64.9 -68.5 1215 936 B V H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.861 112.9 57.5 -68.6 -33.6 28.4 61.1 -69.0 1216 937 B F H <>S+ 0 0 3 -4,-2.9 5,-3.0 -5,-0.3 6,-0.2 0.867 110.6 45.2 -63.1 -33.0 28.5 60.4 -65.3 1217 938 B T H <>S+ 0 0 1 -4,-2.3 5,-1.6 -5,-0.3 -2,-0.2 0.884 109.0 54.2 -76.4 -40.2 25.5 62.7 -65.0 1218 939 B F H <5S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.852 129.8 14.1 -61.5 -34.2 23.7 61.2 -68.0 1219 940 B S T X5S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.703 132.4 25.3-103.5 -95.6 24.0 57.8 -66.4 1220 941 B C H >5S+ 0 0 0 -5,-0.2 4,-2.5 1,-0.2 5,-0.2 0.860 121.6 49.9 -40.6 -58.5 25.0 57.3 -62.7 1221 942 B Q H >XS+ 0 0 1 -5,-1.6 4,-1.8 -6,-0.2 5,-0.5 0.906 113.3 49.7 -51.8 -48.4 20.3 60.3 -63.0 1223 944 B A H X5S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 5,-0.4 0.921 110.7 47.6 -61.2 -44.2 19.8 56.8 -61.9 1224 945 B A H <5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.697 121.1 38.2 -70.0 -19.5 20.8 57.4 -58.2 1225 946 B V H <5S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.540 128.9 27.5-108.1 -13.5 18.5 60.4 -58.0 1226 947 B N H ><5S+ 0 0 0 -4,-1.8 3,-2.6 -5,-0.2 -3,-0.2 0.769 115.7 50.3-113.3 -62.0 15.6 59.3 -60.1 1227 948 B F T 3< S+ 0 0 2 -5,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.468 74.9 91.7 -89.1 2.5 15.4 55.6 -56.3 1229 950 B Q H <>>S+ 0 0 0 -3,-2.6 4,-1.7 1,-0.2 5,-0.6 0.780 71.2 61.7 -69.6 -31.0 12.0 57.2 -56.2 1230 951 B K H 45S+ 0 0 26 -3,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.900 114.3 38.2 -62.5 -38.1 9.8 54.1 -55.9 1231 952 B D H >5S+ 0 0 23 -3,-0.3 4,-0.5 -4,-0.3 -337,-0.2 0.940 121.1 45.3 -74.3 -49.1 11.5 53.4 -52.6 1232 953 B H H ><5S+ 0 0 6 -4,-2.1 3,-0.6 1,-0.2 6,-0.2 0.988 129.4 20.3 -56.2 -73.8 11.7 57.0 -51.5 1233 954 B Y T 3<5S+ 0 0 15 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.532 96.5 105.3 -77.6 -8.8 8.2 58.4 -52.3 1234 955 B G T 34 S+ 0 0 5 -2,-0.7 3,-1.0 -3,-0.5 -1,-0.1 0.627 88.6 70.4 -32.2 -29.6 4.4 59.2 -49.2 1237 958 B P G 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.710 94.5 57.6 -69.0 -11.7 4.5 59.6 -45.5 1238 959 B N G < S+ 0 0 14 -3,-3.8 -2,-0.2 1,-0.2 -5,-0.1 0.671 126.8 12.0 -87.6 -18.8 8.3 59.1 -45.8 1239 960 B A S < S- 0 0 2 -3,-1.0 -1,-0.2 -4,-0.3 -3,-0.1 -0.406 81.3-159.4-157.4 68.7 8.8 62.0 -48.2 1240 961 B P - 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