==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-FEB-09 3GEN . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.MARCOTTE,Y.T.LIU,R.M.ARDUINI,C.A.HESSION,K.MIATKOWSKI, . 264 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 72.0 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 . 36 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 16 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 2 0 0 2 0 0 1 0 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 . 2 0 1 1 2 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 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 1 392 A Y 0 0 153 0, 0.0 2,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 128.9 -25.4 -9.9 -0.7 2 393 A G > - 0 0 25 4,-0.1 3,-1.6 1,-0.1 0, 0.0 -0.261 360.0 -94.9 -78.9 175.4 -27.4 -6.8 0.0 3 394 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.782 127.5 49.9 -63.8 -28.8 -29.5 -4.9 -2.5 4 395 A W T 3 S+ 0 0 59 65,-0.1 66,-2.7 2,-0.0 2,-0.5 0.417 97.3 92.7 -87.5 -0.3 -26.6 -2.4 -3.1 5 396 A E B < -a 70 0A 28 -3,-1.6 2,-0.3 64,-0.2 66,-0.2 -0.864 55.6-164.0-110.6 123.2 -24.1 -5.3 -3.6 6 397 A I - 0 0 20 64,-2.3 66,-0.1 -2,-0.5 72,-0.1 -0.773 28.0-118.3 -96.7 140.8 -23.2 -6.9 -6.9 7 398 A D > - 0 0 41 -2,-0.3 3,-2.3 1,-0.2 4,-0.2 -0.736 18.3-149.1 -76.4 115.4 -21.4 -10.3 -7.0 8 399 A P G > S+ 0 0 49 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.733 93.8 70.4 -60.7 -21.2 -18.0 -9.6 -8.7 9 400 A K G 3 S+ 0 0 177 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.665 87.9 65.0 -69.2 -15.7 -18.1 -13.1 -10.1 10 401 A D G < S+ 0 0 36 -3,-2.3 19,-3.0 19,-0.1 20,-0.5 0.488 88.9 94.1 -80.2 -4.6 -20.9 -11.9 -12.4 11 402 A L E < -B 28 0A 15 -3,-1.6 2,-0.4 17,-0.2 17,-0.2 -0.694 53.8-168.2 -94.6 140.0 -18.5 -9.5 -14.1 12 403 A T E -B 27 0A 71 15,-2.3 15,-2.2 -2,-0.3 2,-0.5 -0.996 18.8-142.0-122.0 123.8 -16.4 -10.1 -17.2 13 404 A F E +B 26 0A 80 -2,-0.4 13,-0.2 13,-0.2 3,-0.1 -0.751 28.4 164.6 -92.3 127.2 -13.7 -7.5 -17.8 14 405 A L E - 0 0 96 11,-2.8 2,-0.3 -2,-0.5 12,-0.2 0.793 56.4 -4.0-113.7 -41.6 -13.2 -6.5 -21.5 15 406 A K E -B 25 0A 108 10,-1.7 10,-3.3 0, 0.0 2,-0.4 -0.989 61.0-112.6-155.9 151.1 -11.2 -3.3 -21.8 16 407 A E E -B 24 0A 126 -2,-0.3 8,-0.2 8,-0.2 10,-0.0 -0.698 23.2-174.9 -81.7 133.3 -9.5 -0.6 -19.8 17 408 A L 0 0 79 6,-3.0 7,-0.2 -2,-0.4 -1,-0.1 0.644 360.0 360.0-101.6 -21.4 -11.1 2.8 -20.2 18 409 A G 0 0 60 5,-1.2 5,-2.9 0, 0.0 -1,-0.3 -0.987 360.0 360.0 133.7 360.0 -8.7 4.9 -18.2 19 ! 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 20 413 A F 0 0 96 0, 0.0 20,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -52.6 -8.9 7.2 -7.6 21 414 A G E - C 0 39A 48 18,-0.2 2,-0.3 22,-0.0 18,-0.2 -0.995 360.0 -31.0 147.7-135.9 -7.9 4.2 -9.7 22 415 A V E - C 0 38A 50 16,-1.0 16,-2.9 -2,-0.3 2,-0.4 -0.890 37.5-149.3-125.9 150.8 -8.9 2.5 -13.0 23 416 A V E - C 0 37A 43 -5,-2.9 -6,-3.0 -2,-0.3 -5,-1.2 -0.985 18.0-169.9-120.6 133.2 -12.2 2.2 -14.9 24 417 A K E -BC 16 36A 64 12,-2.6 12,-3.0 -2,-0.4 2,-0.4 -0.873 19.9-131.4-120.4 153.9 -12.9 -0.8 -17.0 25 418 A Y E +BC 15 35A 27 -10,-3.3 -11,-2.8 -2,-0.3 -10,-1.7 -0.852 45.4 138.9 -94.0 139.7 -15.6 -1.8 -19.6 26 419 A G E -BC 13 34A 0 8,-2.5 8,-2.5 -2,-0.4 2,-0.4 -0.919 45.9 -93.1-160.2-172.0 -17.2 -5.2 -19.1 27 420 A K E -BC 12 33A 52 -15,-2.2 -15,-2.3 -2,-0.3 2,-0.5 -0.910 21.7-142.1-116.2 142.9 -20.3 -7.3 -19.1 28 421 A W E >> S-BC 11 32A 70 4,-2.5 4,-2.0 -2,-0.4 3,-1.7 -0.928 89.7 -8.7-101.4 129.0 -22.6 -8.2 -16.2 29 422 A R T 34 S- 0 0 161 -19,-3.0 -1,-0.2 -2,-0.5 -18,-0.1 0.842 123.3 -69.6 47.9 39.9 -23.9 -11.8 -16.4 30 423 A G T 34 S+ 0 0 58 -20,-0.5 -1,-0.3 -3,-0.2 3,-0.1 0.399 130.6 55.3 73.2 0.7 -22.3 -12.2 -19.9 31 424 A Q T <4 S+ 0 0 121 -3,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.713 80.8 75.8-131.0 -44.4 -24.8 -9.9 -21.6 32 425 A Y E < S-C 28 0A 126 -4,-2.0 -4,-2.5 1,-0.1 -1,-0.2 -0.719 71.3-120.6-100.7 127.1 -25.2 -6.4 -20.2 33 426 A D E +C 27 0A 65 -2,-0.5 50,-0.4 -6,-0.2 2,-0.3 -0.313 40.8 165.2 -59.1 131.3 -22.8 -3.5 -20.7 34 427 A V E -C 26 0A 3 -8,-2.5 -8,-2.5 48,-0.2 2,-0.4 -0.970 32.9-135.1-141.0 156.4 -21.3 -2.0 -17.5 35 428 A A E -CD 25 81A 9 46,-2.8 46,-2.6 -2,-0.3 2,-0.5 -0.926 18.9-153.4-103.9 142.6 -18.5 0.2 -16.4 36 429 A I E -CD 24 80A 0 -12,-3.0 -12,-2.6 -2,-0.4 2,-0.7 -0.949 4.4-164.2-121.0 106.7 -16.5 -0.9 -13.4 37 430 A K E -CD 23 79A 36 42,-2.9 42,-2.8 -2,-0.5 2,-0.6 -0.847 12.0-154.6 -90.5 117.2 -14.8 1.8 -11.4 38 431 A M E -CD 22 78A 32 -16,-2.9 -16,-1.0 -2,-0.7 2,-0.7 -0.846 6.3-142.5-101.8 121.1 -12.1 0.2 -9.2 39 432 A I E -CD 21 77A 3 38,-3.2 38,-0.7 -2,-0.6 -18,-0.2 -0.740 18.2-128.5 -94.1 114.6 -11.3 2.2 -6.0 40 433 A K > - 0 0 41 -20,-2.8 3,-1.6 -2,-0.7 4,-0.5 -0.160 33.9 -88.2 -60.6 148.1 -7.6 2.1 -5.0 41 434 A E T 3 S+ 0 0 102 1,-0.2 -1,-0.1 2,-0.1 34,-0.0 -0.317 109.5 8.2 -57.4 131.9 -6.5 1.1 -1.5 42 435 A G T 3 S+ 0 0 59 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.405 102.5 99.9 79.8 -1.3 -6.3 4.0 1.0 43 436 A S S < S+ 0 0 34 -3,-1.6 111,-2.6 -23,-0.1 112,-0.5 0.788 77.6 46.4 -84.6 -28.9 -7.9 6.5 -1.5 44 437 A M B S-F 153 0B 14 -4,-0.5 2,-1.6 109,-0.2 -2,-0.2 -0.853 75.7-121.9-124.9 147.4 -11.4 6.4 -0.1 45 438 A S > - 0 0 28 107,-2.6 4,-2.3 -2,-0.3 5,-0.2 -0.701 44.3-175.6 -77.3 85.8 -13.4 6.6 3.2 46 439 A E H > + 0 0 22 -2,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.872 69.9 49.6 -65.0 -47.1 -14.9 3.2 2.4 47 440 A D H > S+ 0 0 140 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 114.7 47.2 -59.0 -43.0 -17.4 2.6 5.2 48 441 A E H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 112.0 49.7 -63.1 -43.7 -18.8 6.1 4.7 49 442 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.903 107.4 54.9 -61.8 -40.9 -19.0 5.6 0.9 50 443 A I H X S+ 0 0 27 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.898 109.0 46.8 -63.1 -42.2 -20.8 2.2 1.4 51 444 A E H >X S+ 0 0 116 -4,-1.8 4,-0.6 1,-0.2 3,-0.6 0.901 113.9 48.3 -64.1 -41.0 -23.5 3.8 3.5 52 445 A E H >X S+ 0 0 31 -4,-2.0 4,-2.4 1,-0.2 3,-0.9 0.841 98.4 68.8 -70.1 -31.9 -24.0 6.6 1.0 53 446 A A H 3X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.855 93.4 59.3 -51.4 -37.6 -24.1 4.1 -1.9 54 447 A K H < S+ 0 0 12 -4,-2.4 3,-1.0 1,-0.2 11,-0.3 0.799 100.0 62.9 -66.6 -31.5 -27.2 6.8 -4.4 57 450 A M H 3< S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.806 100.1 54.5 -60.1 -32.9 -28.9 3.6 -5.5 58 451 A N T << S+ 0 0 136 -3,-0.8 2,-0.4 -4,-0.6 -1,-0.2 0.519 85.6 97.9 -84.8 -7.7 -32.3 5.2 -5.0 59 452 A L < + 0 0 18 -3,-1.0 2,-0.3 -4,-0.3 8,-0.3 -0.686 51.2 172.3 -78.1 134.5 -31.5 8.1 -7.2 60 453 A S + 0 0 87 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.902 11.6 137.9-151.8 116.7 -32.9 7.6 -10.7 61 454 A H > - 0 0 52 3,-0.3 3,-1.9 -2,-0.3 54,-0.0 -0.958 53.4-122.2-156.5 143.8 -33.0 10.0 -13.7 62 455 A E T 3 S+ 0 0 134 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.718 114.3 48.9 -61.7 -21.0 -32.3 9.5 -17.4 63 456 A K T 3 S+ 0 0 14 80,-0.1 81,-2.4 2,-0.1 2,-0.4 0.277 97.1 83.6-105.3 9.1 -29.6 12.2 -17.3 64 457 A L B < S-g 144 0C 4 -3,-1.9 -3,-0.3 79,-0.3 2,-0.2 -0.948 90.2-110.3-108.5 132.2 -27.8 10.8 -14.2 65 458 A V - 0 0 6 79,-2.7 2,-0.4 -2,-0.4 82,-0.1 -0.432 42.1-121.8 -58.5 125.9 -25.3 8.0 -14.6 66 459 A Q - 0 0 93 -2,-0.2 16,-2.1 -4,-0.1 2,-0.7 -0.624 13.7-143.4 -83.1 127.3 -27.0 5.0 -13.0 67 460 A L E - E 0 81A 15 -2,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.815 16.0-176.2 -89.2 110.9 -25.3 3.2 -10.1 68 461 A Y E - 0 0 89 12,-2.5 2,-0.3 -2,-0.7 13,-0.2 0.801 54.8 -71.0 -78.4 -31.6 -26.0 -0.5 -10.5 69 462 A G E - E 0 80A 0 11,-1.3 11,-2.9 -63,-0.1 -1,-0.3 -0.943 44.1 -98.5 160.6-178.1 -24.3 -1.5 -7.2 70 463 A V E -aE 5 79A 1 -66,-2.7 -64,-2.3 -2,-0.3 2,-0.5 -0.894 11.7-144.5-129.8 158.6 -20.9 -1.9 -5.5 71 464 A C E + E 0 78A 7 7,-2.2 7,-2.4 -2,-0.3 -64,-0.1 -0.974 36.9 146.9-123.7 114.5 -18.5 -4.8 -4.7 72 465 A T + 0 0 26 -2,-0.5 5,-0.1 5,-0.2 -1,-0.1 0.425 43.7 89.5-133.7 -1.0 -16.9 -4.3 -1.3 73 466 A K S S+ 0 0 134 2,-0.0 2,-0.3 0, 0.0 4,-0.1 0.721 100.1 34.9 -73.3 -22.3 -16.3 -7.7 0.3 74 467 A Q S S- 0 0 68 2,-0.1 4,-0.1 4,-0.0 -3,-0.1 -0.812 98.8 -82.1-121.8 167.4 -12.9 -7.7 -1.5 75 468 A R S S+ 0 0 162 -2,-0.3 2,-0.1 2,-0.1 -35,-0.1 -0.968 103.0 45.0-124.7 142.1 -10.4 -4.9 -2.3 76 469 A P S S- 0 0 58 0, 0.0 -36,-0.2 0, 0.0 -2,-0.1 0.447 92.4-134.8 -67.1 145.5 -10.1 -2.8 -4.4 77 470 A I E -D 39 0A 2 -38,-0.7 -38,-3.2 -2,-0.1 2,-0.4 -0.422 16.9-137.0 -71.9 148.1 -13.8 -2.1 -4.1 78 471 A F E -DE 38 71A 31 -7,-2.4 -7,-2.2 -40,-0.2 2,-0.5 -0.876 10.8-157.2-110.0 142.1 -15.8 -1.7 -7.3 79 472 A I E -DE 37 70A 9 -42,-2.8 -42,-2.9 -2,-0.4 2,-0.6 -0.983 18.3-155.3-111.2 119.6 -18.5 0.8 -8.4 80 473 A I E +DE 36 69A 0 -11,-2.9 -12,-2.5 -2,-0.5 -11,-1.3 -0.838 25.1 159.7-103.0 122.0 -20.7 -0.7 -11.1 81 474 A T E -DE 35 67A 24 -46,-2.6 -46,-2.8 -2,-0.6 -14,-0.2 -0.856 45.5 -69.3-135.2 166.5 -22.4 1.7 -13.4 82 475 A E - 0 0 29 -16,-2.1 2,-0.5 -2,-0.3 -48,-0.2 -0.261 57.1-114.7 -42.4 136.7 -24.1 2.4 -16.7 83 476 A Y - 0 0 46 -50,-0.4 2,-0.7 -49,-0.1 -1,-0.1 -0.778 23.9-160.8 -89.0 127.5 -21.6 2.3 -19.6 84 477 A M > - 0 0 11 -2,-0.5 3,-2.4 1,-0.1 52,-0.3 -0.840 2.0-164.4-114.6 94.6 -21.0 5.6 -21.4 85 478 A A T 3 S+ 0 0 45 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.718 83.5 51.4 -57.1 -32.0 -19.5 4.8 -24.7 86 479 A N T 3 S- 0 0 66 50,-1.9 -1,-0.3 1,-0.2 51,-0.2 0.352 96.9-153.4 -93.4 6.8 -18.2 8.3 -25.6 87 480 A G < + 0 0 26 -3,-2.4 49,-2.5 49,-0.5 -1,-0.2 -0.130 48.3 14.5 70.5-151.1 -16.4 8.8 -22.3 88 481 A C B > -H 135 0C 30 47,-0.2 4,-2.2 1,-0.1 47,-0.3 -0.345 61.2-136.7 -69.0 134.0 -15.6 12.0 -20.5 89 482 A L H > S+ 0 0 0 45,-3.0 4,-3.0 42,-0.6 5,-0.2 0.877 102.7 57.5 -56.9 -40.0 -17.5 15.2 -21.6 90 483 A L H > S+ 0 0 28 41,-1.0 4,-1.4 44,-0.4 -1,-0.2 0.933 109.7 42.9 -59.2 -48.8 -14.3 17.2 -21.4 91 484 A N H > S+ 0 0 98 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.900 113.2 53.5 -61.9 -41.9 -12.4 15.0 -23.8 92 485 A Y H >< S+ 0 0 21 -4,-2.2 3,-1.1 1,-0.2 6,-0.2 0.915 107.4 50.7 -60.5 -45.6 -15.5 14.8 -26.1 93 486 A L H 3< S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 107.5 54.4 -58.4 -36.5 -15.7 18.6 -26.3 94 487 A R H 3< S+ 0 0 120 -4,-1.4 2,-1.2 -5,-0.2 -1,-0.2 0.560 80.5 99.2 -81.0 -10.0 -12.0 18.8 -27.2 95 488 A E X< - 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0 0 8 -3,-1.7 15,-0.1 -4,-0.1 14,-0.1 -0.835 64.6-132.5-111.4 133.7 -15.9 27.4 -7.0 172 565 A P >> - 0 0 2 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.278 36.0 -99.6 -75.0 165.2 -17.9 30.5 -6.0 173 566 A P H 3> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.886 121.7 56.2 -51.2 -44.0 -16.4 33.2 -3.8 174 567 A E H 3> S+ 0 0 16 69,-0.2 6,-2.0 1,-0.2 4,-1.4 0.740 108.7 47.4 -67.2 -23.7 -18.1 31.9 -0.6 175 568 A V H <> S+ 0 0 2 -3,-1.2 4,-2.0 4,-0.3 -1,-0.2 0.937 113.9 46.0 -75.6 -50.9 -16.5 28.5 -1.1 176 569 A L H < S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.861 124.6 33.5 -58.4 -38.5 -13.0 29.9 -1.8 177 570 A M H < S+ 0 0 90 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.867 140.6 6.1 -85.7 -40.9 -13.2 32.2 1.2 178 571 A Y H < S- 0 0 174 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.2 0.400 88.3-115.5-130.0 -2.9 -15.3 30.3 3.8 179 572 A S < + 0 0 62 -4,-2.0 2,-1.1 -5,-0.2 -4,-0.3 0.865 54.0 164.5 59.1 38.5 -16.0 26.8 2.5 180 573 A K - 0 0 124 -6,-2.0 2,-0.3 -7,-0.1 -1,-0.2 -0.753 14.3-173.4 -89.7 96.1 -19.7 27.5 2.3 181 574 A F + 0 0 77 -2,-1.1 2,-0.3 -3,-0.1 3,-0.0 -0.686 18.7 136.1 -89.9 146.0 -21.2 24.8 0.2 182 575 A S S >> S- 0 0 27 -2,-0.3 3,-1.6 1,-0.1 4,-1.4 -0.954 71.7 -75.0-168.1 175.1 -24.9 24.9 -0.9 183 576 A S H 3> S+ 0 0 43 -2,-0.3 4,-1.9 1,-0.3 3,-0.2 0.868 128.9 61.0 -48.7 -36.1 -27.2 24.4 -3.8 184 577 A K H 3> S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.670 96.3 55.5 -75.6 -17.5 -25.8 27.7 -5.0 185 578 A S H <> S+ 0 0 8 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.830 108.3 49.6 -79.1 -32.1 -22.2 26.4 -5.2 186 579 A D H X S+ 0 0 6 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.883 109.3 53.4 -64.0 -39.9 -23.6 23.7 -7.5 187 580 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.949 108.4 48.5 -61.3 -46.7 -25.3 26.5 -9.5 188 581 A W H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 3,-0.3 0.945 111.1 50.1 -56.0 -50.8 -22.0 28.4 -9.8 189 582 A A H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.877 106.3 56.7 -57.9 -40.3 -20.2 25.2 -11.0 190 583 A F H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.892 104.3 52.1 -59.1 -41.5 -23.0 24.6 -13.6 191 584 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.3 -1,-0.2 0.924 109.7 49.1 -61.2 -42.9 -22.4 28.1 -15.1 192 585 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 109.0 53.6 -61.7 -40.0 -18.7 27.3 -15.4 193 586 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.910 106.4 51.1 -62.1 -43.2 -19.7 24.0 -17.0 194 587 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.924 109.9 51.6 -56.1 -42.9 -21.8 25.8 -19.6 195 588 A W H X S+ 0 0 18 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.905 108.8 49.6 -61.8 -41.7 -18.8 28.0 -20.3 196 589 A E H <>S+ 0 0 3 -4,-2.4 5,-3.1 2,-0.2 6,-0.4 0.910 111.9 49.6 -62.5 -43.2 -16.6 24.8 -20.8 197 590 A I H ><5S+ 0 0 1 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.963 113.7 42.9 -61.0 -52.5 -19.2 23.4 -23.2 198 591 A Y H 3<5S+ 0 0 6 -4,-2.9 30,-0.6 1,-0.3 -1,-0.2 0.698 113.1 54.6 -70.7 -16.0 -19.4 26.6 -25.3 199 592 A S T ><5S- 0 0 14 -4,-1.5 3,-0.6 -5,-0.2 -1,-0.3 0.288 113.2-119.4 -94.7 6.8 -15.7 26.9 -25.1 200 593 A L T < 5S- 0 0 40 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.884 77.8 -42.4 52.9 40.6 -15.2 23.4 -26.5 201 594 A G T 3 - 0 0 77 1,-0.1 3,-0.9 -4,-0.1 -1,-0.1 -0.638 41.0-109.9 -71.0 127.9 -9.7 25.4 -19.2 204 597 A P T 3 S+ 0 0 0 0, 0.0 4,-0.1 0, 0.0 -35,-0.1 -0.373 104.4 10.0 -58.5 138.7 -11.6 28.1 -17.3 205 598 A Y T > S- 0 0 14 1,-0.1 3,-2.4 2,-0.1 8,-0.1 0.919 87.5-176.7 56.0 46.4 -9.3 31.1 -16.5 206 599 A E T < S+ 0 0 114 -3,-0.9 -1,-0.1 1,-0.3 -3,-0.0 0.743 72.4 46.7 -47.7 -40.4 -6.9 29.4 -18.9 207 600 A R T 3 S+ 0 0 233 -4,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.439 103.6 78.9 -88.0 -2.1 -4.0 31.9 -18.5 208 601 A F S < S- 0 0 80 -3,-2.4 2,-0.1 -4,-0.1 3,-0.0 -0.748 73.2-126.2-108.4 152.7 -4.2 32.0 -14.7 209 602 A T > - 0 0 71 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.373 38.4-103.1 -76.4 169.9 -3.0 29.8 -11.9 210 603 A N H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 125.5 52.4 -59.1 -44.3 -5.5 28.6 -9.2 211 604 A S H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.928 111.7 45.1 -56.8 -48.5 -4.1 31.2 -6.9 212 605 A E H > S+ 0 0 85 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.881 110.7 54.4 -65.0 -40.1 -4.6 33.9 -9.5 213 606 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.937 106.5 50.8 -59.3 -48.0 -8.1 32.7 -10.2 214 607 A A H X S+ 0 0 31 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.901 112.6 47.3 -57.4 -42.0 -9.1 32.8 -6.6 215 608 A E H X S+ 0 0 102 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.934 110.7 51.8 -60.9 -50.6 -7.8 36.5 -6.5 216 609 A H H ><>S+ 0 0 37 -4,-2.9 5,-2.2 1,-0.2 3,-0.6 0.926 112.6 46.3 -49.0 -51.7 -9.7 37.3 -9.7 217 610 A I H ><5S+ 0 0 2 -4,-2.9 3,-2.1 1,-0.2 -1,-0.2 0.904 108.0 54.6 -62.0 -45.5 -12.9 35.9 -8.2 218 611 A A H 3<5S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.721 105.9 55.0 -63.7 -21.2 -12.5 37.7 -4.9 219 612 A Q T <<5S- 0 0 141 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.358 121.6-108.5 -92.4 2.3 -12.2 41.0 -6.9 220 613 A G T < 5S+ 0 0 35 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.577 70.2 143.6 84.3 11.5 -15.5 40.3 -8.6 221 614 A L < - 0 0 81 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.3 -0.417 28.5-164.9 -84.4 162.6 -14.1 39.4 -12.0 222 615 A R - 0 0 33 -2,-0.1 2,-0.1 1,-0.0 16,-0.0 -0.892 27.4 -87.0-143.0 162.8 -15.6 36.7 -14.2 223 616 A L - 0 0 8 -2,-0.3 2,-0.2 1,-0.1 -1,-0.0 -0.366 50.9-136.6 -62.0 154.1 -15.3 34.4 -17.2 224 617 A Y - 0 0 188 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.671 32.6 -58.5-118.3 179.7 -16.4 36.1 -20.4 225 618 A R - 0 0 100 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.304 46.3-134.1 -66.9 118.5 -18.4 35.2 -23.4 226 619 A P > - 0 0 9 0, 0.0 3,-1.7 0, 0.0 -27,-0.1 -0.421 25.3-116.2 -62.0 146.4 -17.3 32.1 -25.4 227 620 A H T 3 S+ 0 0 193 1,-0.3 -28,-0.1 -2,-0.1 -2,-0.1 0.807 114.4 52.1 -54.2 -33.3 -17.3 32.8 -29.2 228 621 A L T 3 S+ 0 0 67 -30,-0.6 2,-0.5 2,-0.0 -1,-0.3 0.576 89.5 95.4 -83.8 -10.7 -20.0 30.1 -29.7 229 622 A A < - 0 0 1 -3,-1.7 2,-0.0 -31,-0.1 -34,-0.0 -0.717 68.1-140.5 -85.7 124.6 -22.4 31.5 -27.0 230 623 A S > - 0 0 46 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.307 33.9-101.0 -65.7 164.7 -25.2 33.8 -28.2 231 624 A E H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.909 125.6 53.1 -55.4 -41.7 -26.0 36.8 -25.9 232 625 A K H > S+ 0 0 104 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.902 110.7 45.4 -61.7 -42.7 -29.0 34.8 -24.6 233 626 A V H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 111.9 51.9 -66.7 -43.4 -26.9 31.8 -23.7 234 627 A Y H X S+ 0 0 51 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.904 104.6 57.5 -59.3 -41.1 -24.2 34.0 -22.1 235 628 A T H X S+ 0 0 95 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.898 107.0 49.3 -54.8 -42.3 -26.9 35.6 -20.0 236 629 A I H X S+ 0 0 8 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.951 113.7 42.6 -65.7 -50.9 -27.8 32.2 -18.6 237 630 A M H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.940 113.7 53.4 -64.1 -39.4 -24.3 31.1 -17.6 238 631 A Y H >< S+ 0 0 107 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.829 97.7 64.8 -63.9 -32.1 -23.5 34.6 -16.2 239 632 A S H >< S+ 0 0 24 -4,-1.7 3,-0.8 1,-0.3 -1,-0.3 0.735 93.1 63.7 -63.7 -22.0 -26.6 34.4 -14.0 240 633 A C T << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.554 96.1 60.7 -73.6 -8.3 -24.9 31.5 -12.2 241 634 A W T < + 0 0 2 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.155 64.0 144.5-114.2 17.3 -22.1 33.9 -11.0 242 635 A H < - 0 0 77 -3,-0.8 6,-0.1 1,-0.1 5,-0.1 -0.326 53.8-130.9 -51.9 134.2 -23.9 36.5 -8.9 243 636 A E S S+ 0 0 94 -23,-0.1 2,-0.5 4,-0.1 -69,-0.2 0.935 96.7 67.2 -52.1 -50.6 -21.7 37.5 -6.0 244 637 A K S > S- 0 0 42 1,-0.2 3,-1.6 -71,-0.1 4,-0.4 -0.650 79.3-148.4 -76.8 120.2 -24.6 37.0 -3.6 245 638 A A G > S+ 0 0 21 -2,-0.5 3,-1.6 1,-0.3 -1,-0.2 0.874 94.9 60.1 -58.5 -38.9 -25.5 33.3 -3.5 246 639 A D G 3 S+ 0 0 155 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.634 98.5 59.7 -66.0 -14.4 -29.2 34.0 -2.9 247 640 A E G < S+ 0 0 130 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.553 83.3 98.1 -91.1 -10.3 -29.4 35.9 -6.2 248 641 A R S < S- 0 0 5 -3,-1.6 -8,-0.2 -4,-0.4 -9,-0.0 -0.521 79.4-111.9 -75.6 146.3 -28.3 32.9 -8.3 249 642 A P - 0 0 18 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.108 24.4-110.6 -71.3 172.9 -31.2 30.9 -9.9 250 643 A T > - 0 0 45 1,-0.1 4,-2.6 -63,-0.0 5,-0.2 -0.576 32.2-107.6 -89.5 166.0 -32.4 27.4 -9.1 251 644 A F H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -134,-0.2 0.837 121.6 58.5 -64.7 -30.0 -31.8 24.6 -11.6 252 645 A K H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.942 109.0 44.0 -60.9 -46.1 -35.6 24.6 -12.3 253 646 A I H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.929 112.8 51.2 -66.6 -44.9 -35.3 28.3 -13.4 254 647 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.898 108.4 52.8 -55.8 -42.2 -32.1 27.6 -15.4 255 648 A L H X S+ 0 0 18 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.907 108.6 49.2 -62.1 -44.4 -33.9 24.7 -17.1 256 649 A S H X S+ 0 0 60 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.909 111.5 50.1 -59.9 -43.4 -36.8 27.0 -18.1 257 650 A N H X S+ 0 0 57 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.908 111.1 48.0 -63.1 -42.0 -34.3 29.6 -19.4 258 651 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 111.2 50.5 -64.1 -45.1 -32.5 26.9 -21.5 259 652 A L H X S+ 0 0 69 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.923 108.7 53.2 -58.5 -42.2 -35.7 25.6 -22.9 260 653 A D H X S+ 0 0 70 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.909 108.9 48.3 -59.6 -45.4 -36.7 29.2 -23.8 261 654 A V H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.889 108.6 54.5 -64.5 -39.3 -33.4 29.7 -25.7 262 655 A M H < S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 109.6 47.8 -57.2 -41.8 -33.9 26.4 -27.6 263 656 A D H < S+ 0 0 124 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.824 117.4 40.9 -69.7 -33.4 -37.4 27.6 -28.7 264 657 A E H < 0 0 103 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.694 360.0 360.0 -84.1 -21.5 -36.0 31.0 -29.8 265 658 A E < 0 0 179 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.470 360.0 360.0 60.0 360.0 -32.9 29.3 -31.3