==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 08-NOV-10 3PIX . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.WONG . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.6 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 2 0 0 2 0 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 1 1 0 0 2 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 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 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 1 391 A G 0 0 121 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-153.6 5.7 -6.9 20.7 2 392 A Y > - 0 0 58 1,-0.3 3,-2.0 71,-0.1 4,-0.1 0.290 360.0-153.6-102.9 8.5 5.2 -4.6 17.8 3 393 A G G > S- 0 0 61 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 -0.306 73.6 -1.4 56.9-130.6 2.2 -6.4 16.4 4 394 A S G 3 S+ 0 0 115 1,-0.3 -1,-0.3 68,-0.0 -2,-0.0 0.659 126.6 70.6 -65.7 -18.1 1.7 -5.9 12.7 5 395 A W G < S+ 0 0 70 -3,-2.0 68,-2.7 67,-0.1 2,-0.9 0.685 76.2 92.5 -71.9 -20.3 4.8 -3.7 12.6 6 396 A E B < S-a 73 0A 38 -3,-1.7 2,-0.3 66,-0.2 68,-0.2 -0.688 72.8-152.8 -78.0 105.1 6.9 -6.8 13.2 7 397 A I - 0 0 6 66,-2.5 68,-0.1 -2,-0.9 74,-0.1 -0.591 15.4-120.4 -83.1 138.1 7.8 -7.9 9.7 8 398 A D > - 0 0 76 -2,-0.3 3,-2.4 1,-0.1 4,-0.1 -0.715 16.2-145.4 -75.4 116.0 8.6 -11.6 9.0 9 399 A P G > S+ 0 0 51 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.746 97.1 68.9 -55.4 -24.3 12.2 -11.6 7.6 10 400 A K G 3 S+ 0 0 183 1,-0.3 -2,-0.0 22,-0.0 -3,-0.0 0.679 91.8 60.4 -65.1 -20.9 11.1 -14.6 5.4 11 401 A D G < S+ 0 0 59 -3,-2.4 21,-2.7 21,-0.1 22,-0.6 0.325 91.1 92.0 -90.5 5.4 8.9 -12.1 3.5 12 402 A L E < -B 31 0A 13 -3,-1.5 2,-0.3 19,-0.2 19,-0.2 -0.784 50.0-177.4-103.2 145.8 12.0 -10.0 2.5 13 403 A T E -B 30 0A 72 17,-2.1 17,-1.6 -2,-0.3 2,-0.4 -0.969 17.9-136.0-134.8 151.8 14.1 -10.2 -0.6 14 404 A F E +B 29 0A 85 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.918 27.5 162.0-117.7 136.9 17.3 -8.2 -1.5 15 405 A L E - 0 0 106 13,-2.9 2,-0.3 -2,-0.4 14,-0.2 0.748 61.6 -5.4-117.9 -38.7 18.1 -6.6 -4.9 16 406 A K E -B 28 0A 112 12,-1.8 12,-3.9 0, 0.0 2,-0.5 -0.964 61.4-110.5-168.0 137.6 20.8 -4.0 -4.6 17 407 A E E -B 27 0A 112 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.669 27.8-179.8 -77.5 125.1 22.9 -2.0 -2.1 18 408 A L E - 0 0 76 8,-2.3 2,-0.3 -2,-0.5 9,-0.2 0.814 59.5 -28.5 -92.3 -38.8 21.9 1.6 -1.9 19 409 A G E -B 26 0A 26 7,-1.9 7,-3.2 2,-0.0 2,-0.3 -0.988 42.1-139.2-170.5 169.4 24.3 2.9 0.8 20 410 A T E +B 25 0A 90 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.936 35.1 150.4-146.0 116.7 26.5 2.2 3.8 21 411 A G E > -B 24 0A 29 3,-2.0 3,-1.7 -2,-0.3 137,-0.1 -0.547 59.6 -59.9-132.0-162.9 26.8 4.6 6.7 22 412 A Q T 3 S+ 0 0 124 1,-0.3 3,-0.1 136,-0.2 133,-0.1 0.819 130.8 42.6 -54.9 -39.2 27.4 4.9 10.4 23 413 A F T 3 S- 0 0 11 1,-0.3 20,-2.8 132,-0.3 -1,-0.3 0.327 122.3 -93.2 -96.1 6.8 24.4 2.8 11.4 24 414 A G E < -BC 21 42A 10 -3,-1.7 -3,-2.0 18,-0.3 -1,-0.3 -0.626 59.4 -23.2 119.2-172.6 24.9 0.2 8.7 25 415 A V E -BC 20 41A 39 16,-0.6 16,-3.0 -5,-0.2 2,-0.5 -0.536 42.4-154.4 -83.0 136.2 24.0 -0.9 5.2 26 416 A V E -BC 19 40A 15 -7,-3.2 -8,-2.3 -2,-0.2 -7,-1.9 -0.956 17.6-173.3-107.2 127.7 20.9 0.2 3.4 27 417 A K E -BC 17 39A 66 12,-3.0 12,-3.6 -2,-0.5 2,-0.5 -0.912 24.0-128.1-120.1 147.7 19.6 -2.2 0.7 28 418 A Y E +BC 16 38A 39 -12,-3.9 -13,-2.9 -2,-0.3 -12,-1.8 -0.820 49.7 138.4 -87.6 130.3 16.9 -2.0 -1.9 29 419 A G E -BC 14 37A 0 8,-2.8 8,-3.0 -2,-0.5 2,-0.3 -0.801 46.4 -96.3-150.2-167.9 14.6 -5.0 -1.8 30 420 A K E -BC 13 36A 53 -17,-1.6 -17,-2.1 6,-0.2 2,-0.4 -0.936 19.3-148.6-124.6 149.3 11.0 -6.2 -2.0 31 421 A W E >> S+BC 12 35A 37 4,-2.6 4,-2.4 -2,-0.3 3,-1.5 -0.970 86.3 0.2-116.5 132.0 8.6 -7.1 0.8 32 422 A R T 34 S- 0 0 138 -21,-2.7 -1,-0.1 -2,-0.4 -20,-0.1 0.664 120.8 -78.6 64.4 17.4 6.0 -9.8 0.2 33 423 A G T 34 S+ 0 0 58 -22,-0.6 -1,-0.3 2,-0.2 3,-0.1 0.496 129.7 56.4 72.4 6.1 7.5 -10.3 -3.3 34 424 A Q T <4 S+ 0 0 126 -3,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.609 80.9 79.7-138.7 -30.0 5.7 -7.2 -4.6 35 425 A Y E < S-C 31 0A 112 -4,-2.4 -4,-2.6 1,-0.0 2,-0.2 -0.804 71.7-128.4 -97.7 125.6 6.4 -4.0 -2.6 36 426 A D E +C 30 0A 62 -2,-0.5 50,-1.1 -6,-0.2 2,-0.3 -0.506 37.9 177.9 -67.7 130.4 9.6 -2.0 -3.1 37 427 A V E -CD 29 85A 0 -8,-3.0 -8,-2.8 -2,-0.2 2,-0.6 -0.963 35.1-135.0-136.3 150.9 11.4 -1.4 0.1 38 428 A A E -CD 28 84A 9 46,-2.4 46,-2.6 -2,-0.3 2,-0.6 -0.938 29.6-159.5 -96.1 125.9 14.5 0.2 1.6 39 429 A I E -CD 27 83A 0 -12,-3.6 -12,-3.0 -2,-0.6 2,-0.5 -0.947 2.9-158.7-114.0 119.0 15.9 -2.2 4.1 40 430 A K E -CD 26 82A 0 42,-3.0 42,-2.0 -2,-0.6 2,-0.8 -0.852 3.8-156.6 -97.5 124.1 18.2 -0.9 6.8 41 431 A M E -CD 25 81A 54 -16,-3.0 -16,-0.6 -2,-0.5 2,-0.3 -0.883 23.3-136.1-100.8 105.4 20.5 -3.4 8.5 42 432 A I E -C 24 0A 11 38,-2.2 38,-0.4 -2,-0.8 2,-0.3 -0.446 11.3-124.4 -72.1 124.3 21.4 -1.8 11.8 43 433 A K > - 0 0 138 -20,-2.8 3,-1.3 -2,-0.3 4,-0.2 -0.532 36.9-108.1 -66.6 124.2 25.1 -2.0 12.9 44 434 A E T 3 S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.3 -20,-0.0 -0.366 102.2 22.0 -63.3 123.3 25.1 -3.6 16.3 45 435 A G T 3 S+ 0 0 87 2,-0.4 -1,-0.3 -2,-0.2 3,-0.1 0.636 91.2 105.0 93.4 19.3 26.0 -1.1 19.0 46 436 A S S < S+ 0 0 32 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.531 86.3 22.3-104.6 -12.1 25.0 2.0 17.1 47 437 A M S S- 0 0 30 -4,-0.2 -2,-0.4 -5,-0.0 -1,-0.3 -0.978 76.8-122.7-153.6 145.9 21.7 2.6 19.0 48 438 A S > - 0 0 59 -2,-0.3 4,-2.0 -3,-0.1 5,-0.1 -0.272 29.0-110.0 -81.7 170.1 20.3 1.6 22.4 49 439 A E H > S+ 0 0 152 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 118.5 48.2 -65.0 -47.1 17.1 -0.3 23.2 50 440 A D H > S+ 0 0 128 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.895 110.0 52.8 -61.4 -43.7 15.3 2.8 24.6 51 441 A E H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.934 110.6 48.1 -54.1 -49.9 16.4 4.9 21.7 52 442 A F H X S+ 0 0 21 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.928 112.3 47.9 -57.5 -49.6 14.9 2.3 19.3 53 443 A I H X S+ 0 0 76 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.896 115.1 46.0 -60.1 -42.8 11.6 2.1 21.3 54 444 A E H X S+ 0 0 118 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.945 115.8 43.8 -64.9 -50.0 11.3 5.9 21.4 55 445 A E H X S+ 0 0 31 -4,-3.0 4,-1.7 1,-0.2 97,-1.3 0.780 111.3 54.9 -70.7 -29.4 12.1 6.4 17.7 56 446 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.936 106.4 51.5 -64.2 -49.2 9.9 3.5 16.6 57 447 A K H X S+ 0 0 122 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.903 106.2 56.2 -52.2 -47.3 6.9 5.1 18.5 58 448 A V H X S+ 0 0 26 -4,-1.8 4,-1.1 1,-0.2 3,-0.4 0.940 112.9 39.1 -50.7 -55.2 7.6 8.4 16.6 59 449 A M H < S+ 0 0 2 -4,-1.7 11,-0.3 1,-0.2 -1,-0.2 0.765 112.9 55.9 -70.8 -28.9 7.3 6.7 13.2 60 450 A M H < S+ 0 0 34 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.747 108.8 46.8 -77.5 -23.9 4.4 4.4 14.1 61 451 A N H < S+ 0 0 104 -4,-1.7 2,-0.4 -3,-0.4 -1,-0.2 0.724 104.3 69.0 -87.7 -25.5 2.2 7.3 15.2 62 452 A L < + 0 0 14 -4,-1.1 2,-0.3 -5,-0.2 60,-0.0 -0.833 56.0 162.5-101.9 132.3 2.8 9.6 12.2 63 453 A S + 0 0 69 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.932 5.7 143.6-152.2 126.2 1.5 8.8 8.7 64 454 A H > - 0 0 47 3,-0.3 3,-2.0 -2,-0.3 54,-0.1 -0.980 54.3-114.6-158.2 147.7 1.1 11.0 5.7 65 455 A E T 3 S+ 0 0 150 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.782 118.1 47.5 -54.8 -28.2 1.4 10.6 1.9 66 456 A K T 3 S+ 0 0 27 2,-0.1 81,-2.3 80,-0.1 2,-0.5 0.223 96.6 83.7-105.4 13.9 4.3 13.1 1.9 67 457 A L B < S-f 147 0B 1 -3,-2.0 -3,-0.3 79,-0.2 2,-0.3 -0.975 92.7-108.7-110.4 132.0 6.2 11.5 4.8 68 458 A V - 0 0 2 79,-2.6 2,-0.3 -2,-0.5 85,-0.1 -0.435 46.3-129.2 -60.9 117.0 8.5 8.6 4.0 69 459 A Q - 0 0 36 -2,-0.3 16,-2.9 -4,-0.1 2,-0.4 -0.516 5.7-135.6 -84.1 132.6 6.5 5.7 5.5 70 460 A L E - E 0 84A 2 -11,-0.3 14,-0.3 -2,-0.3 3,-0.1 -0.697 18.3-176.1 -73.5 131.1 7.8 3.0 7.9 71 461 A Y E - 0 0 69 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.753 53.5 -66.9 -98.2 -35.3 6.6 -0.4 6.8 72 462 A G E - E 0 83A 0 11,-2.2 11,-3.4 -65,-0.1 -1,-0.4 -0.991 39.1-105.7 170.5-173.8 8.0 -2.4 9.7 73 463 A V E -aE 6 82A 0 -68,-2.7 -66,-2.5 -2,-0.3 2,-0.5 -0.961 9.5-144.9-138.6 152.5 10.9 -3.8 11.8 74 464 A C E + E 0 81A 1 7,-2.2 7,-2.1 -2,-0.3 -66,-0.1 -0.969 32.8 155.7-118.6 111.9 12.6 -7.2 12.4 75 465 A T + 0 0 34 -2,-0.5 -1,-0.1 5,-0.2 5,-0.1 0.411 56.4 74.2-118.5 -3.7 13.7 -7.3 16.0 76 466 A K S S+ 0 0 169 3,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.416 96.3 55.7 -93.2 0.6 13.8 -11.0 16.8 77 467 A Q S S- 0 0 57 2,-0.1 4,-0.1 4,-0.1 -3,-0.1 -0.796 89.6 -88.2-125.5 167.8 17.1 -11.4 14.8 78 468 A R S S+ 0 0 155 -2,-0.3 2,-0.1 1,-0.1 -3,-0.1 -0.997 107.2 35.3-123.9 127.8 20.6 -10.0 14.7 79 469 A P S S- 0 0 41 0, 0.0 -36,-0.1 0, 0.0 -1,-0.1 0.564 96.4-125.8 -76.2 163.3 21.2 -7.6 13.1 80 470 A I - 0 0 25 -38,-0.4 -38,-2.2 -2,-0.1 2,-0.4 -0.410 21.7-143.7 -65.7 145.2 17.9 -5.7 13.4 81 471 A F E -DE 41 74A 14 -7,-2.1 -7,-2.2 -40,-0.2 2,-0.5 -0.937 10.8-163.8-112.1 140.5 16.1 -4.6 10.3 82 472 A I E -DE 40 73A 0 -42,-2.0 -42,-3.0 -2,-0.4 2,-0.6 -0.995 13.6-159.4-117.4 125.0 14.2 -1.3 9.7 83 473 A I E +DE 39 72A 0 -11,-3.4 -12,-3.2 -2,-0.5 -11,-2.2 -0.914 17.4 167.5-113.7 119.8 11.9 -1.5 6.6 84 474 A T E -DE 38 70A 7 -46,-2.6 -46,-2.4 -2,-0.6 -14,-0.2 -0.787 42.8 -79.0-125.1 166.4 10.7 1.7 4.9 85 475 A E E -D 37 0A 24 -16,-2.9 2,-0.4 -2,-0.3 -48,-0.2 -0.342 53.7-112.5 -62.6 143.6 9.0 2.8 1.7 86 476 A Y - 0 0 39 -50,-1.1 2,-0.6 -57,-0.1 -1,-0.1 -0.679 23.8-164.9 -88.8 133.9 11.4 2.9 -1.2 87 477 A M > - 0 0 12 -2,-0.4 3,-1.6 53,-0.1 52,-0.2 -0.921 4.9-163.6-118.8 100.7 12.3 6.2 -2.9 88 478 A A T 3 S+ 0 0 46 -2,-0.6 52,-0.2 1,-0.3 -1,-0.1 0.686 85.0 49.4 -65.7 -24.0 13.8 5.5 -6.2 89 479 A N T 3 S- 0 0 66 50,-2.3 -1,-0.3 1,-0.3 51,-0.2 0.409 96.0-155.9 -97.5 2.7 15.5 8.9 -6.8 90 480 A G E < +G 139 0B 27 -3,-1.6 49,-2.7 49,-0.6 -1,-0.3 -0.226 50.7 18.9 67.4-144.5 17.1 9.0 -3.4 91 481 A C E > -G 138 0B 29 47,-0.2 4,-2.1 1,-0.1 47,-0.3 -0.355 63.3-137.6 -69.1 133.4 18.1 12.1 -1.6 92 482 A L H > S+ 0 0 0 45,-2.8 4,-2.8 42,-0.6 43,-0.2 0.857 101.8 58.6 -58.2 -39.2 16.5 15.4 -2.7 93 483 A L H > S+ 0 0 24 41,-1.0 4,-1.4 44,-0.4 -1,-0.2 0.935 110.2 41.1 -58.6 -48.6 19.8 17.3 -2.5 94 484 A N H > S+ 0 0 103 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.871 112.8 56.7 -65.7 -37.3 21.6 15.0 -4.9 95 485 A Y H >< S+ 0 0 24 -4,-2.1 3,-1.1 1,-0.2 6,-0.2 0.938 107.5 47.2 -57.1 -50.1 18.4 15.0 -7.1 96 486 A L H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 107.8 57.1 -61.5 -34.4 18.5 18.8 -7.4 97 487 A R H 3< S+ 0 0 122 -4,-1.4 2,-1.0 -5,-0.2 -1,-0.2 0.552 80.0 98.7 -78.9 -9.8 22.3 18.8 -8.2 98 488 A E X< - 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0 0 20 4,-2.3 3,-1.8 -2,-0.4 -53,-0.1 -0.219 39.2 -87.3 -87.6-177.0 10.4 8.7 -5.5 141 531 A D T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 -54,-0.1 0.695 126.5 54.4 -62.5 -20.1 10.1 7.3 -9.0 142 532 A Q T 3 S- 0 0 147 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.291 119.4-105.5 -98.4 7.0 7.4 9.8 -9.8 143 533 A G S < S+ 0 0 23 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.521 71.4 147.6 77.9 7.3 9.3 12.9 -8.8 144 534 A V - 0 0 31 -30,-0.0 -4,-2.3 1,-0.0 2,-0.4 -0.612 40.0-142.6 -77.5 127.6 7.3 13.3 -5.5 145 535 A V E - H 0 139B 0 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.756 20.0-175.6 -92.9 136.3 9.3 14.7 -2.7 146 536 A K E - H 0 138B 12 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.3 -0.992 25.9-117.4-132.3 142.5 8.7 13.3 0.9 147 537 A V E +fH 67 137B 0 -81,-2.3 -79,-2.6 -2,-0.4 -10,-0.2 -0.574 42.2 159.0 -74.8 134.0 10.1 14.4 4.2 148 538 A S + 0 0 3 -12,-2.1 3,-0.1 -2,-0.3 6,-0.1 -0.451 34.2 89.4-130.0-152.3 12.2 11.7 6.0 149 539 A D + 0 0 4 4,-0.3 2,-0.3 1,-0.2 -18,-0.2 0.907 65.9 118.9 55.9 45.9 14.9 11.8 8.8 150 540 A F S > S- 0 0 5 -3,-0.1 3,-1.5 -95,-0.0 -1,-0.2 -0.992 74.3 -20.7-136.8 147.5 12.3 11.5 11.7 151 541 A G T > S- 0 0 2 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 -0.320 134.9 -6.8 55.3-135.0 12.1 8.7 14.3 152 542 A L T >> S+ 0 0 0 -97,-1.3 3,-1.9 1,-0.3 4,-1.5 0.770 126.2 73.2 -59.0 -30.2 13.8 5.5 13.1 153 543 A S H <> S+ 0 0 1 -3,-1.5 4,-2.1 1,-0.3 -1,-0.3 0.678 82.3 71.3 -63.7 -17.0 14.4 7.0 9.6 154 544 A R H <4>S+ 0 0 57 -3,-1.7 5,-2.7 2,-0.2 -1,-0.3 0.834 104.3 41.0 -60.9 -35.2 17.1 9.2 11.3 155 545 A Y H X45S+ 0 0 8 -3,-1.9 3,-0.9 -4,-0.3 -132,-0.3 0.824 110.1 57.1 -83.6 -36.3 19.1 6.0 11.6 156 546 A V H 3<5S+ 0 0 8 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.1 0.899 112.0 42.8 -57.4 -41.0 18.1 4.7 8.1 157 547 A L T 3<5S- 0 0 52 -4,-2.1 -1,-0.2 -117,-0.0 -2,-0.2 0.416 109.4-122.5 -89.0 0.7 19.6 7.9 6.6 158 548 A D T < 5 - 0 0 27 -3,-0.9 -3,-0.2 1,-0.2 -136,-0.2 0.908 33.8-144.5 54.2 46.7 22.7 7.9 8.8 159 549 A D >< - 0 0 6 -5,-2.7 4,-3.2 1,-0.1 5,-0.2 -0.114 5.4-144.5 -45.1 125.2 21.7 11.4 10.0 160 550 A E H > S+ 0 0 100 1,-0.2 4,-1.0 2,-0.2 8,-0.5 0.750 99.2 53.8 -72.5 -25.9 24.9 13.4 10.5 161 551 A Y H 4>S+ 0 0 85 2,-0.2 5,-2.3 1,-0.1 6,-0.2 0.867 115.9 40.9 -69.0 -38.7 23.5 15.2 13.6 162 552 A T H >45S+ 0 0 20 3,-0.2 3,-1.3 1,-0.2 -2,-0.2 0.916 117.4 45.9 -74.0 -46.5 22.7 11.8 15.1 163 553 A S H 3<5S+ 0 0 34 -4,-3.2 -3,-0.2 1,-0.3 -1,-0.2 0.668 113.9 49.6 -74.0 -18.6 25.9 10.1 14.1 164 554 A S T ><5S- 0 0 27 -4,-1.0 3,-2.3 -5,-0.2 -1,-0.3 0.213 109.8-125.6 -98.7 11.9 28.0 13.1 15.2 165 555 A V T < 5S- 0 0 140 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.764 78.2 -41.8 45.0 35.1 26.2 13.1 18.6 166 556 A G T 3 + 0 0 10 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.343 49.5 158.8 -74.6 63.4 22.4 22.7 11.0 171 561 A V G > + 0 0 22 -2,-2.5 3,-1.7 1,-0.3 8,-0.1 0.856 68.3 56.3 -50.5 -44.5 23.6 26.3 11.4 172 562 A R G 3 S+ 0 0 30 1,-0.3 -1,-0.3 -3,-0.3 36,-0.0 0.589 110.1 45.5 -73.3 -11.0 22.6 27.3 7.9 173 563 A W G < S+ 0 0 28 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.231 96.9 100.6-110.0 10.1 19.0 26.1 8.5 174 564 A S < - 0 0 8 -3,-1.7 15,-0.1 -4,-0.2 14,-0.1 -0.824 65.3-131.8-109.3 136.1 18.6 27.8 11.9 175 565 A P >> - 0 0 1 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.279 36.6-100.6 -71.7 164.7 16.9 31.0 13.0 176 566 A P H 3> S+ 0 0 12 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.852 120.9 58.4 -57.5 -37.9 18.7 33.6 15.2 177 567 A E H 3> S+ 0 0 21 1,-0.2 6,-2.1 69,-0.2 4,-1.2 0.735 109.5 45.0 -67.2 -22.7 16.8 32.4 18.4 178 568 A V H <> S+ 0 0 4 -3,-1.2 4,-1.9 4,-0.3 -1,-0.2 0.910 114.5 46.4 -80.4 -47.8 18.2 28.9 17.9 179 569 A L H < S+ 0 0 48 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.837 124.7 33.5 -64.4 -34.4 21.8 30.0 17.1 180 570 A M H < S+ 0 0 114 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.902 140.4 7.0 -84.2 -46.5 21.8 32.4 20.1 181 571 A Y H < S- 0 0 168 -4,-1.2 -3,-0.2 -5,-0.3 -2,-0.2 0.391 88.9-115.1-125.3 -2.9 19.6 30.7 22.7 182 572 A S < + 0 0 85 -4,-1.9 2,-1.3 1,-0.2 -4,-0.3 0.843 54.6 165.3 59.3 36.8 18.7 27.2 21.5 183 573 A K - 0 0 127 -6,-2.1 2,-0.3 -8,-0.1 -1,-0.2 -0.686 13.8-173.7 -88.6 87.8 15.0 28.3 21.3 184 574 A F + 0 0 72 -2,-1.3 2,-0.3 -3,-0.1 3,-0.0 -0.615 18.1 137.2 -84.4 142.5 13.4 25.6 19.2 185 575 A S S >> S- 0 0 31 -2,-0.3 3,-1.8 1,-0.0 4,-1.1 -0.951 70.8 -78.3-166.6 175.1 9.7 25.9 18.2 186 576 A S H 3> S+ 0 0 61 -2,-0.3 4,-2.1 1,-0.3 3,-0.4 0.858 127.9 61.8 -52.8 -33.0 7.4 25.4 15.2 187 577 A K H 3> S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.655 96.5 56.0 -73.3 -17.7 8.9 28.7 14.0 188 578 A S H <> S+ 0 0 7 -3,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.757 108.0 48.9 -80.7 -27.5 12.4 27.2 13.8 189 579 A D H X S+ 0 0 5 -4,-1.1 4,-2.2 -3,-0.4 -2,-0.2 0.888 109.2 53.5 -70.6 -40.7 10.9 24.5 11.5 190 580 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.916 108.1 49.6 -58.2 -46.3 9.3 27.3 9.5 191 581 A W H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.927 109.5 51.6 -57.7 -47.4 12.7 29.0 9.1 192 582 A A H X S+ 0 0 5 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.882 105.4 56.2 -58.1 -41.3 14.3 25.8 7.9 193 583 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.905 104.3 52.6 -58.3 -44.0 11.5 25.3 5.3 194 584 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.915 109.8 48.4 -57.9 -45.0 12.4 28.8 3.8 195 585 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.894 109.7 53.5 -61.8 -39.7 16.0 27.7 3.5 196 586 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.917 105.5 52.4 -61.0 -44.9 14.9 24.5 1.9 197 587 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.903 109.2 51.4 -54.5 -42.0 12.9 26.4 -0.6 198 588 A W H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.907 107.8 51.2 -63.6 -43.8 16.1 28.3 -1.3 199 589 A E H <>S+ 0 0 3 -4,-2.4 5,-3.2 2,-0.2 6,-0.4 0.915 111.8 48.4 -55.3 -45.5 18.0 25.0 -1.8 200 590 A I H ><5S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.969 113.5 44.6 -62.2 -52.4 15.3 23.9 -4.3 201 591 A Y H 3<5S+ 0 0 5 -4,-2.8 30,-0.6 1,-0.3 -1,-0.2 0.660 113.2 52.5 -69.5 -13.7 15.3 27.1 -6.3 202 592 A S T ><5S- 0 0 8 -4,-1.3 3,-0.5 -5,-0.2 -1,-0.3 0.232 114.7-117.6-101.3 9.1 19.2 27.1 -6.2 203 593 A L T < 5S- 0 0 42 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.900 77.6 -41.5 50.1 48.7 19.3 23.6 -7.6 204 594 A G T 3 S- 0 0 11 1,-0.1 3,-2.4 2,-0.1 8,-0.1 0.958 83.8-172.6 60.8 55.9 25.4 30.9 2.3 209 599 A E T 3 S+ 0 0 70 -3,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.631 76.7 40.7 -60.8 -22.0 27.7 29.4 -0.3 210 600 A R T 3 S+ 0 0 217 2,-0.1 2,-0.3 -4,-0.0 -1,-0.3 0.252 105.2 84.0-108.4 6.5 30.7 31.7 0.5 211 601 A F < - 0 0 67 -3,-2.4 2,-0.1 -4,-0.1 0, 0.0 -0.836 68.0-132.2-114.3 150.2 30.3 31.7 4.3 212 602 A T > - 0 0 73 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.376 43.6-100.1 -74.1 168.8 31.4 29.5 7.2 213 603 A N H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.877 127.2 53.1 -57.0 -37.9 28.8 28.6 9.8 214 604 A S H > S+ 0 0 84 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 109.1 45.6 -66.0 -46.1 30.3 31.4 11.9 215 605 A E H > S+ 0 0 89 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 110.8 56.5 -63.7 -36.4 30.0 34.0 9.2 216 606 A T H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.937 104.9 50.0 -58.5 -50.3 26.5 32.8 8.5 217 607 A A H X S+ 0 0 35 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.880 113.6 46.9 -57.4 -40.7 25.4 33.4 12.2 218 608 A E H X S+ 0 0 121 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.890 108.7 55.1 -65.6 -43.8 26.9 36.9 12.0 219 609 A H H ><>S+ 0 0 31 -4,-2.6 5,-1.9 1,-0.2 3,-0.8 0.947 111.9 42.3 -55.1 -53.3 25.1 37.6 8.6 220 610 A I H ><5S+ 0 0 3 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.854 107.0 61.7 -68.3 -32.2 21.7 36.7 10.0 221 611 A A H 3<5S+ 0 0 71 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.792 100.2 56.2 -61.0 -27.2 22.4 38.6 13.3 222 612 A Q T <<5S- 0 0 135 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.350 124.9-107.2 -83.6 5.5 22.7 41.7 11.0 223 613 A G T < 5S+ 0 0 28 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.572 76.2 140.7 78.4 10.5 19.2 41.0 9.7 224 614 A L < - 0 0 82 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.2 -0.525 28.4-173.7 -91.1 154.6 20.6 39.9 6.4 225 615 A R - 0 0 28 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.717 33.3 -64.5-137.3 179.2 19.3 36.9 4.4 226 616 A L - 0 0 5 -2,-0.2 -1,-0.0 1,-0.1 -28,-0.0 -0.562 56.3-116.5 -71.3 135.0 19.7 34.6 1.5 227 617 A Y - 0 0 108 -2,-0.3 -1,-0.1 1,-0.1 3,-0.0 -0.150 39.0 -84.9 -62.3 163.2 19.4 36.4 -1.9 228 618 A R - 0 0 81 1,-0.1 -1,-0.1 2,-0.0 6,-0.0 -0.647 45.4-124.1 -72.5 116.0 16.6 35.5 -4.4 229 619 A P > - 0 0 2 0, 0.0 3,-1.6 0, 0.0 -27,-0.1 -0.331 21.1-118.7 -55.4 143.3 17.7 32.5 -6.5 230 620 A H T 3 S+ 0 0 176 1,-0.3 -28,-0.1 -28,-0.0 -2,-0.0 0.830 113.6 54.8 -53.7 -36.0 17.5 33.4 -10.2 231 621 A L T 3 S+ 0 0 66 -30,-0.6 2,-0.5 2,-0.0 -1,-0.3 0.600 91.3 89.7 -77.2 -13.4 14.9 30.7 -10.8 232 622 A A S < S- 0 0 1 -3,-1.6 -34,-0.0 -31,-0.1 -4,-0.0 -0.764 72.7-138.4 -89.9 124.9 12.6 32.1 -8.1 233 623 A S > - 0 0 55 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.195 31.3-102.4 -66.1 169.2 10.0 34.6 -9.1 234 624 A E H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.892 124.7 52.2 -64.0 -37.6 9.4 37.6 -6.9 235 625 A K H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.897 110.7 46.6 -63.7 -42.3 6.2 36.0 -5.6 236 626 A V H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 111.2 52.0 -66.5 -42.8 8.1 32.8 -4.7 237 627 A Y H X S+ 0 0 39 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.887 103.2 58.5 -60.9 -39.3 10.8 34.7 -3.0 238 628 A T H X S+ 0 0 94 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.903 107.1 49.2 -54.2 -42.3 8.2 36.6 -0.9 239 629 A I H X S+ 0 0 8 -4,-1.3 4,-0.7 2,-0.2 3,-0.4 0.980 114.6 41.2 -64.3 -57.6 7.1 33.2 0.4 240 630 A M H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.2 0.929 114.6 53.3 -57.9 -41.9 10.5 31.9 1.3 241 631 A Y H >< S+ 0 0 109 -4,-3.3 3,-1.9 1,-0.3 -1,-0.2 0.821 98.1 64.3 -63.5 -31.3 11.5 35.3 2.7 242 632 A S H >< S+ 0 0 38 -4,-1.8 3,-0.8 -3,-0.4 -1,-0.3 0.748 94.2 62.8 -63.0 -23.3 8.4 35.3 5.0 243 633 A C T << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.582 97.5 59.0 -74.3 -13.3 9.9 32.3 6.7 244 634 A W T < + 0 0 1 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.119 66.6 144.6-111.1 21.0 12.9 34.4 7.8 245 635 A H < - 0 0 80 -3,-0.8 6,-0.1 1,-0.1 5,-0.1 -0.316 54.4-129.7 -57.0 138.1 11.4 37.2 9.9 246 636 A E S S+ 0 0 119 -23,-0.1 2,-0.6 1,-0.1 -69,-0.2 0.903 97.5 68.2 -55.1 -45.6 13.6 38.2 12.8 247 637 A K S > S- 0 0 134 1,-0.2 3,-1.7 2,-0.0 4,-0.5 -0.718 77.9-150.3 -81.3 115.6 10.5 37.9 15.1 248 638 A A G > S+ 0 0 28 -2,-0.6 3,-1.4 1,-0.3 -1,-0.2 0.853 94.7 56.3 -52.8 -42.0 9.5 34.2 15.4 249 639 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.578 99.2 61.3 -72.5 -10.9 5.8 35.0 15.9 250 640 A E G < S+ 0 0 118 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.568 83.8 99.9 -88.4 -12.2 5.7 37.0 12.7 251 641 A R S < S- 0 0 5 -3,-1.4 -8,-0.2 -4,-0.5 -9,-0.1 -0.464 79.1-111.4 -73.8 146.2 6.6 33.9 10.7 252 642 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.160 25.4-113.8 -70.3 169.9 3.8 32.1 8.9 253 643 A T > - 0 0 45 1,-0.1 4,-2.4 -63,-0.0 5,-0.1 -0.548 30.4-107.7 -89.2 167.7 2.4 28.7 9.8 254 644 A F H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -134,-0.2 0.793 121.4 59.4 -66.7 -28.7 2.8 25.7 7.4 255 645 A K H > S+ 0 0 148 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 109.3 42.4 -60.3 -45.8 -1.0 26.0 6.7 256 646 A I H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.927 113.3 52.5 -68.3 -45.1 -0.5 29.6 5.5 257 647 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.876 108.1 51.6 -57.7 -40.9 2.6 28.6 3.5 258 648 A L H X S+ 0 0 34 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.927 110.9 47.2 -64.2 -45.1 0.7 25.8 1.8 259 649 A S H X S+ 0 0 51 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.917 112.7 49.9 -61.5 -43.7 -2.1 28.2 0.8 260 650 A N H X S+ 0 0 57 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.916 111.7 48.2 -58.9 -44.4 0.5 30.8 -0.5 261 651 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.911 111.1 49.6 -65.6 -44.6 2.3 28.2 -2.5 262 652 A L H X S+ 0 0 61 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.910 108.1 54.1 -60.8 -43.7 -0.9 26.8 -4.1 263 653 A D H X S+ 0 0 103 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.891 111.9 44.7 -57.4 -41.6 -2.0 30.3 -5.0 264 654 A V H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.901 111.1 54.0 -70.8 -40.9 1.3 30.9 -6.8 265 655 A M H < S+ 0 0 37 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.870 109.9 46.5 -57.7 -41.3 1.1 27.4 -8.5 266 656 A D H < S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.798 115.1 46.6 -74.0 -29.4 -2.3 28.2 -9.9 267 657 A E H < 0 0 114 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.762 360.0 360.0 -76.7 -28.8 -1.0 31.6 -11.1 268 658 A E < 0 0 161 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.485 360.0 360.0 62.7 360.0 2.1 29.8 -12.5