==== 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 TRANSFERASE 06-OCT-09 3K54 . 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, . 243 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 14.4 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 . 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 . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 1 0 2 0 0 0 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 . 0 1 1 1 1 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 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 0 116 0, 0.0 3,-1.6 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 64.2 -5.4 5.1 17.7 2 393 A G G >4 - 0 0 73 1,-0.3 3,-1.3 2,-0.2 0, 0.0 0.104 360.0 -12.1 46.3-140.1 -2.0 6.2 16.4 3 394 A S G 34 S+ 0 0 121 1,-0.2 -1,-0.3 62,-0.0 0, 0.0 0.559 126.3 77.2 -73.1 -4.2 -1.4 6.2 12.7 4 395 A W G <4 S+ 0 0 74 -3,-1.6 62,-3.0 61,-0.1 2,-0.5 0.698 70.5 95.8 -75.8 -21.9 -4.7 4.1 12.3 5 396 A E B << -a 66 0A 47 -3,-1.3 2,-0.4 -4,-0.7 62,-0.2 -0.598 67.0-155.8 -70.4 120.5 -6.8 7.3 12.9 6 397 A I - 0 0 6 60,-3.2 62,-0.1 -2,-0.5 -2,-0.1 -0.821 19.5-117.8-101.9 138.2 -7.7 8.6 9.4 7 398 A D > - 0 0 68 -2,-0.4 3,-2.8 1,-0.2 4,-0.1 -0.664 21.5-145.6 -69.9 113.2 -8.7 12.2 8.6 8 399 A P G > S+ 0 0 44 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 0.852 97.4 63.5 -52.2 -37.4 -12.3 11.9 7.4 9 400 A K G 3 S+ 0 0 164 1,-0.3 -2,-0.1 -3,-0.1 21,-0.0 0.442 89.9 67.4 -70.5 1.1 -11.6 14.8 4.9 10 401 A D G < S+ 0 0 68 -3,-2.8 21,-2.8 21,-0.1 22,-0.5 0.258 92.8 87.4 -90.4 6.8 -9.0 12.6 3.2 11 402 A L E < -B 30 0A 15 -3,-2.2 2,-0.3 19,-0.2 19,-0.2 -0.875 53.6-175.7-110.4 139.1 -12.1 10.4 2.2 12 403 A T E -B 29 0A 73 17,-2.2 17,-1.2 -2,-0.4 2,-0.6 -0.943 19.2-141.1-120.8 148.5 -14.4 10.7 -0.8 13 404 A F E +B 28 0A 84 -2,-0.3 15,-0.3 15,-0.2 3,-0.1 -0.953 23.6 171.5-114.3 115.2 -17.5 8.4 -1.3 14 405 A L E - 0 0 90 13,-2.1 2,-0.3 -2,-0.6 14,-0.2 0.663 60.7 -0.9 -97.9 -21.5 -18.0 7.3 -4.9 15 406 A K E -B 27 0A 149 12,-1.8 12,-1.4 0, 0.0 2,-0.3 -0.973 67.1-107.7-166.9 154.3 -20.9 4.7 -4.7 16 407 A E E +B 26 0A 140 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.676 30.8 177.2 -89.1 145.7 -23.2 2.9 -2.3 17 408 A L E - 0 0 84 8,-2.3 2,-0.3 1,-0.4 9,-0.2 0.757 47.1 -34.7-120.0 -44.2 -22.5 -0.8 -1.6 18 409 A G E -B 25 0A 20 7,-1.3 7,-1.2 1,-0.1 -1,-0.4 -0.983 22.8-174.6-167.9 173.0 -24.8 -2.4 0.9 19 410 A T S > S+ 0 0 111 -2,-0.3 3,-0.7 5,-0.2 5,-0.1 0.264 71.6 88.7-148.5 -11.7 -26.9 -2.2 4.1 20 411 A G T 3 S+ 0 0 78 1,-0.2 -2,-0.0 2,-0.1 4,-0.0 0.249 104.6 14.4 -87.1 9.8 -28.1 -5.9 4.5 21 412 A Q T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.084 134.3 20.9-162.7 23.3 -25.2 -7.3 6.6 22 413 A F S < S- 0 0 95 -3,-0.7 2,-0.2 3,-0.0 -2,-0.1 0.362 93.1 -90.7-153.3 -73.2 -23.3 -4.3 7.9 23 414 A G S S- 0 0 19 18,-0.1 17,-0.4 -5,-0.0 -4,-0.1 -0.090 90.0 -29.8 115.7 123.5 -24.5 -0.7 8.3 24 415 A V - 0 0 46 -2,-0.2 16,-2.4 15,-0.2 2,-0.5 0.453 64.6-168.8 -20.5 112.8 -23.7 1.4 5.1 25 416 A V E -BC 18 39A 22 -7,-1.2 -8,-2.3 14,-0.2 -7,-1.3 -0.922 11.8-175.6-100.7 132.4 -20.7 0.2 3.2 26 417 A K E -BC 16 38A 54 12,-1.9 12,-2.6 -2,-0.5 2,-0.4 -0.976 27.4-128.4-127.0 143.5 -19.5 2.5 0.5 27 418 A Y E +BC 15 37A 40 -12,-1.4 -13,-2.1 -2,-0.4 -12,-1.8 -0.792 50.0 140.9 -76.4 131.9 -16.8 2.5 -2.2 28 419 A G E -BC 13 36A 0 8,-2.2 8,-2.6 -2,-0.4 2,-0.3 -0.859 46.4 -98.4-154.6-173.3 -14.7 5.6 -2.0 29 420 A K E -BC 12 35A 59 -17,-1.2 -17,-2.2 -2,-0.3 2,-0.4 -0.916 20.3-148.5-121.0 147.6 -11.2 6.9 -2.3 30 421 A W E >> S-BC 11 34A 33 4,-2.5 4,-2.3 -2,-0.3 3,-1.5 -0.969 84.3 -4.8-114.8 128.6 -8.6 7.7 0.5 31 422 A R T 34 S- 0 0 137 -21,-2.8 -1,-0.2 -2,-0.4 -20,-0.1 0.840 117.5 -78.8 56.7 34.2 -6.0 10.5 -0.1 32 423 A G T 34 S+ 0 0 65 -22,-0.5 -1,-0.3 1,-0.2 -21,-0.1 0.399 130.6 66.0 60.7 -2.7 -7.4 10.8 -3.6 33 424 A Q T <4 S+ 0 0 140 -3,-1.5 2,-0.4 1,-0.1 -2,-0.2 0.796 80.5 68.5-116.8 -43.7 -5.4 7.7 -4.6 34 425 A Y E < -C 30 0A 93 -4,-2.3 -4,-2.5 1,-0.0 2,-0.3 -0.703 68.4-132.1 -97.0 130.4 -6.5 4.4 -2.8 35 426 A D E +C 29 0A 63 -2,-0.4 44,-0.9 -6,-0.2 2,-0.3 -0.618 38.8 174.7 -73.6 133.1 -9.8 2.6 -3.4 36 427 A V E -CD 28 78A 0 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.4 -0.938 34.4-132.5-136.1 159.6 -11.3 1.8 -0.1 37 428 A A E -CD 27 77A 15 40,-1.7 40,-2.4 -2,-0.3 2,-0.5 -0.946 26.6-153.2-106.5 142.4 -14.4 0.3 1.3 38 429 A I E -CD 26 76A 0 -12,-2.6 -12,-1.9 -2,-0.4 2,-0.7 -0.968 3.9-158.9-126.2 116.0 -15.8 2.5 4.1 39 430 A K E -CD 25 75A 40 36,-3.5 36,-1.9 -2,-0.5 2,-0.6 -0.880 4.3-167.3-102.8 114.4 -17.9 0.9 6.9 40 431 A M E - D 0 74A 26 -16,-2.4 34,-0.2 -2,-0.7 2,-0.2 -0.893 13.8-176.6-103.0 116.3 -20.2 3.3 8.8 41 432 A I - 0 0 28 32,-1.5 2,-0.3 -2,-0.6 -18,-0.1 -0.534 3.8-158.4-108.9 172.3 -21.6 1.8 12.0 42 433 A K 0 0 185 -2,-0.2 -2,-0.0 30,-0.1 0, 0.0 -0.999 360.0 360.0-156.2 155.5 -24.1 3.0 14.6 43 434 A E 0 0 233 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.042 360.0 360.0 -95.7 360.0 -25.5 2.8 18.2 44 ! 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 45 442 A F >> 0 0 71 0, 0.0 4,-0.6 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0 -40.2 -16.7 -1.9 17.2 46 443 A I T 45 + 0 0 157 1,-0.2 4,-0.0 2,-0.1 0, 0.0 0.706 360.0 18.0 -25.4 -34.5 -15.1 -2.3 20.7 47 444 A E T >5S+ 0 0 112 97,-0.1 4,-2.0 3,-0.1 -1,-0.2 0.741 107.1 74.8-117.0 -32.7 -13.4 -5.4 19.1 48 445 A E H >5S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.916 103.5 35.6 -61.4 -57.1 -13.4 -5.5 15.2 49 446 A A H X5S+ 0 0 1 -4,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.880 114.9 59.7 -63.2 -38.6 -10.8 -3.0 14.2 50 447 A K H >X S+ 0 0 19 -4,-2.0 3,-1.5 1,-0.2 4,-0.6 0.967 114.3 50.5 -61.0 -53.6 -8.6 -7.6 15.9 52 449 A M H 3< S+ 0 0 14 -4,-2.5 11,-0.4 1,-0.3 3,-0.3 0.702 102.4 62.1 -62.9 -21.2 -7.8 -6.2 12.4 53 450 A M H 3< S+ 0 0 32 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.788 106.5 44.2 -71.3 -28.4 -5.0 -4.0 13.9 54 451 A N H << S+ 0 0 114 -3,-1.5 2,-0.4 -4,-0.7 -2,-0.2 0.455 104.8 67.8 -96.9 -3.4 -3.0 -7.1 15.0 55 452 A L < + 0 0 16 -4,-0.6 2,-0.3 -3,-0.3 60,-0.0 -0.952 52.9 168.9-122.4 138.9 -3.3 -9.3 12.0 56 453 A S + 0 0 61 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.909 9.9 142.6-152.5 123.3 -1.8 -8.8 8.6 57 454 A H > - 0 0 49 -2,-0.3 3,-1.7 3,-0.3 54,-0.1 -0.981 55.8-115.9-153.7 149.9 -1.5 -11.0 5.6 58 455 A E T 3 S+ 0 0 153 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.735 118.9 48.5 -58.1 -22.2 -1.8 -10.7 1.8 59 456 A K T 3 S+ 0 0 20 80,-0.1 81,-2.6 51,-0.1 2,-0.4 0.202 95.8 80.7-107.4 14.1 -4.8 -13.0 2.0 60 457 A L B < S-f 140 0B 2 -3,-1.7 -3,-0.3 79,-0.3 81,-0.2 -0.935 95.6-101.3-113.3 136.0 -6.7 -11.2 4.9 61 458 A V - 0 0 6 79,-2.3 2,-0.5 -2,-0.4 -2,-0.1 -0.472 48.0-127.0 -58.5 125.4 -8.8 -8.1 4.1 62 459 A Q - 0 0 45 -2,-0.2 16,-2.0 -4,-0.1 2,-0.2 -0.743 7.7-135.6 -92.5 121.7 -6.5 -5.2 5.3 63 460 A L E - E 0 77A 3 -2,-0.5 14,-0.3 -11,-0.4 3,-0.1 -0.543 18.0-175.4 -60.3 131.7 -7.6 -2.5 7.7 64 461 A Y E - 0 0 71 12,-3.3 2,-0.3 1,-0.4 13,-0.2 0.679 56.4 -66.5 -99.3 -29.0 -6.4 0.9 6.4 65 462 A G E - E 0 76A 0 11,-1.6 11,-2.8 -59,-0.1 -1,-0.4 -0.975 42.7-105.5 165.4-179.9 -7.7 2.8 9.4 66 463 A V E -aE 5 75A 0 -62,-3.0 -60,-3.2 -2,-0.3 2,-0.5 -0.918 11.0-139.1-133.5 160.0 -10.5 4.1 11.5 67 464 A C E + E 0 74A 2 7,-2.1 7,-1.5 -2,-0.3 3,-0.1 -0.934 40.7 148.6-118.9 99.9 -12.4 7.4 12.2 68 465 A T + 0 0 49 -2,-0.5 -1,-0.1 5,-0.2 5,-0.1 0.594 56.4 69.9-110.9 -18.8 -13.0 7.4 16.0 69 466 A K S S+ 0 0 177 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.237 98.5 59.4 -85.2 15.7 -12.9 11.1 16.9 70 467 A Q S S- 0 0 54 -3,-0.1 4,-0.1 1,-0.1 -3,-0.1 -0.982 95.1 -65.3-156.2 157.3 -16.2 11.8 15.1 71 468 A R S S+ 0 0 162 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.475 109.5 7.1 -3.0-116.6 -20.0 11.2 14.7 72 469 A P S S- 0 0 48 0, 0.0 -30,-0.1 0, 0.0 -5,-0.0 -0.757 95.8-107.4 -73.7 132.6 -20.7 7.6 13.5 73 470 A I - 0 0 45 -2,-0.4 -32,-1.5 -5,-0.1 2,-0.4 -0.179 30.8-149.3 -55.6 145.0 -17.5 5.6 13.5 74 471 A F E -DE 40 67A 4 -7,-1.5 -7,-2.1 -34,-0.2 2,-0.4 -0.962 9.1-166.5-115.3 139.7 -15.8 4.7 10.2 75 472 A I E -DE 39 66A 4 -36,-1.9 -36,-3.5 -2,-0.4 2,-0.4 -0.999 13.1-161.8-118.0 135.7 -13.7 1.6 9.5 76 473 A I E +DE 38 65A 0 -11,-2.8 -12,-3.3 -2,-0.4 -11,-1.6 -0.940 15.5 165.0-122.2 128.1 -11.8 1.8 6.2 77 474 A T E -DE 37 63A 24 -40,-2.4 -40,-1.7 -2,-0.4 -14,-0.2 -0.831 46.7 -72.3-130.2 177.0 -10.3 -1.3 4.4 78 475 A E E -D 36 0A 22 -16,-2.0 2,-0.4 -2,-0.3 -42,-0.2 -0.344 58.2-110.9 -63.9 150.1 -8.9 -2.2 1.1 79 476 A Y - 0 0 65 -44,-0.9 2,-0.7 -43,-0.1 -44,-0.1 -0.755 20.5-154.2 -91.3 133.0 -11.6 -2.4 -1.5 80 477 A M > - 0 0 11 -2,-0.4 3,-1.9 53,-0.1 52,-0.3 -0.875 6.9-164.5-109.3 98.6 -12.5 -5.8 -2.9 81 478 A A T 3 S+ 0 0 44 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.714 81.8 53.5 -61.2 -27.9 -13.9 -5.1 -6.4 82 479 A N T 3 S- 0 0 57 50,-2.2 -1,-0.3 1,-0.3 51,-0.2 0.411 96.8-144.0 -95.7 3.7 -15.6 -8.5 -7.0 83 480 A G E < +G 132 0B 30 -3,-1.9 49,-2.3 49,-0.5 -1,-0.3 -0.312 53.6 0.9 77.7-161.1 -17.6 -8.5 -3.7 84 481 A C E > -G 131 0B 34 47,-0.2 4,-1.8 1,-0.1 47,-0.3 -0.428 63.7-128.9 -71.8 143.4 -18.4 -11.6 -1.6 85 482 A L H > S+ 0 0 0 45,-2.4 4,-2.5 42,-0.5 43,-0.2 0.848 106.2 58.9 -55.8 -39.0 -17.0 -14.9 -2.8 86 483 A L H > S+ 0 0 28 41,-0.8 4,-1.4 44,-0.4 -1,-0.2 0.944 110.1 42.3 -61.5 -44.9 -20.4 -16.6 -2.6 87 484 A N H > S+ 0 0 104 -3,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.870 112.3 54.9 -66.9 -32.9 -22.0 -14.2 -5.1 88 485 A Y H >< S+ 0 0 24 -4,-1.8 3,-0.7 1,-0.2 -1,-0.2 0.899 107.5 49.3 -68.7 -42.2 -18.9 -14.3 -7.3 89 486 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 108.0 53.1 -66.9 -36.0 -19.1 -18.1 -7.5 90 487 A R H 3< S+ 0 0 118 -4,-1.4 2,-1.1 -5,-0.2 -1,-0.2 0.493 83.2 100.4 -77.7 -9.3 -22.9 -18.0 -8.4 91 488 A E X< - 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0 0 81 1,-0.1 3,-1.2 -4,-0.1 2,-0.1 -0.641 43.0-109.9 -72.9 129.8 -25.7 -24.2 -0.1 184 597 A P T 3 S+ 0 0 0 0, 0.0 4,-0.1 0, 0.0 -35,-0.1 -0.463 103.0 10.0 -63.7 139.3 -24.1 -27.2 1.7 185 598 A Y T > S+ 0 0 20 -2,-0.1 3,-2.6 1,-0.1 8,-0.1 0.896 83.3 178.7 58.0 44.2 -26.7 -29.9 2.4 186 599 A E T < S+ 0 0 94 -3,-1.2 -1,-0.1 1,-0.3 -3,-0.0 0.734 71.5 50.5 -50.3 -35.2 -29.0 -28.0 0.2 187 600 A R T 3 S+ 0 0 224 -4,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.394 101.4 77.1 -88.1 3.7 -31.8 -30.5 0.6 188 601 A F S < S- 0 0 78 -3,-2.6 2,-0.1 -4,-0.1 0, 0.0 -0.849 74.4-126.1-116.5 148.9 -31.7 -30.7 4.3 189 602 A T > - 0 0 77 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.329 40.2-101.5 -70.7 168.6 -32.9 -28.6 7.1 190 603 A N H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.898 124.7 51.1 -55.6 -46.0 -30.3 -27.5 9.8 191 604 A S H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 110.9 46.9 -57.3 -49.8 -31.7 -30.1 12.2 192 605 A E H > S+ 0 0 74 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.878 110.3 53.3 -58.1 -47.1 -31.4 -32.9 9.6 193 606 A T H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.954 110.1 48.4 -51.9 -50.0 -27.8 -31.7 8.7 194 607 A A H X S+ 0 0 31 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.903 115.6 43.2 -61.1 -44.2 -26.8 -32.0 12.3 195 608 A E H X S+ 0 0 114 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.938 115.6 47.7 -62.9 -52.1 -28.3 -35.5 12.7 196 609 A H H <>S+ 0 0 53 -4,-3.1 5,-1.9 1,-0.2 -2,-0.2 0.860 112.1 48.9 -64.6 -35.8 -27.0 -36.7 9.4 197 610 A I H ><5S+ 0 0 2 -4,-3.2 3,-1.8 -5,-0.2 -1,-0.2 0.853 106.8 56.9 -68.2 -32.9 -23.4 -35.4 10.1 198 611 A A H 3<5S+ 0 0 45 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.912 104.4 53.5 -69.6 -33.9 -23.4 -37.0 13.6 199 612 A Q T 3<5S- 0 0 132 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.293 126.8 -98.7 -70.9 1.7 -24.1 -40.4 11.8 200 613 A G T < 5S+ 0 0 33 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.523 73.7 141.2 92.9 8.2 -21.1 -40.0 9.5 201 614 A L < - 0 0 96 -5,-1.9 -1,-0.3 3,-0.0 2,-0.3 -0.572 28.5-171.9 -88.6 149.4 -22.6 -38.7 6.3 202 615 A R - 0 0 41 -2,-0.2 2,-0.2 0, 0.0 16,-0.0 -0.847 33.7 -72.7-135.4 169.7 -20.5 -36.1 4.5 203 616 A L - 0 0 5 -2,-0.3 2,-0.0 1,-0.1 -28,-0.0 -0.477 54.9-116.4 -68.9 137.3 -20.8 -33.7 1.5 204 617 A Y - 0 0 136 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.275 38.3 -87.0 -68.8 161.8 -20.7 -35.5 -1.8 205 618 A R - 0 0 82 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.524 45.3-123.0 -73.1 122.5 -17.9 -34.8 -4.3 206 619 A P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 -27,-0.1 -0.423 19.5-117.7 -61.3 141.7 -18.7 -31.9 -6.5 207 620 A H T 3 S+ 0 0 182 1,-0.3 -28,-0.1 -2,-0.1 -2,-0.1 0.853 114.3 52.0 -43.0 -43.7 -18.7 -32.6 -10.3 208 621 A L T 3 S+ 0 0 65 -30,-0.6 2,-0.5 2,-0.0 -1,-0.3 0.670 91.6 90.9 -77.4 -12.1 -15.8 -30.1 -10.8 209 622 A A S < S- 0 0 1 -3,-1.7 -34,-0.0 -31,-0.1 -4,-0.0 -0.693 71.7-138.4 -88.8 127.3 -13.6 -31.6 -8.0 210 623 A S > - 0 0 54 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.283 31.5-102.9 -68.5 164.1 -11.1 -34.2 -9.0 211 624 A E H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.894 124.6 53.5 -58.3 -36.3 -10.6 -37.3 -6.8 212 625 A K H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.911 111.5 44.2 -62.6 -42.3 -7.4 -35.7 -5.5 213 626 A V H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 111.8 52.4 -67.4 -43.4 -9.1 -32.4 -4.6 214 627 A Y H X S+ 0 0 34 -4,-2.9 4,-3.6 1,-0.2 5,-0.2 0.912 104.2 57.5 -62.2 -38.3 -12.1 -34.2 -3.0 215 628 A T H X S+ 0 0 88 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.886 106.8 50.3 -56.3 -41.2 -9.6 -36.2 -0.9 216 629 A I H X S+ 0 0 7 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.960 114.4 41.2 -62.8 -51.9 -8.2 -32.9 0.5 217 630 A M H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 4,-0.2 0.933 114.0 53.9 -65.5 -37.4 -11.7 -31.5 1.4 218 631 A Y H >< S+ 0 0 106 -4,-3.6 3,-2.0 1,-0.3 -1,-0.2 0.851 97.7 64.2 -64.2 -30.3 -12.8 -34.9 2.8 219 632 A S H >< S+ 0 0 21 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.743 93.3 63.3 -67.1 -22.7 -9.7 -35.0 5.0 220 633 A C T << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.604 97.5 60.0 -71.2 -10.3 -11.1 -31.9 6.9 221 634 A W T < + 0 0 2 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.153 64.9 143.6-114.6 19.8 -14.1 -33.9 7.9 222 635 A H < - 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