==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-SEP-01 1K2P . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAO,M.ZHOU,F.M.UCKUN . 516 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 11.8 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 50 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 1 3 0 1 5 1 0 1 0 0 0 2 0 0 0 2 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 2 4 2 0 3 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 . 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 397 A I 0 0 119 0, 0.0 67,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.5 40.0 6.0 16.9 2 398 A D - 0 0 9 65,-1.1 2,-0.4 64,-0.1 68,-0.2 -0.956 360.0-144.2-135.0 114.1 43.1 7.9 18.0 3 399 A P - 0 0 90 0, 0.0 2,-1.9 0, 0.0 65,-0.0 -0.641 41.2-105.0 -72.0 129.2 45.9 6.5 20.2 4 400 A K + 0 0 118 -2,-0.4 2,-0.1 1,-0.2 21,-0.0 -0.344 62.9 149.9 -60.0 81.8 47.2 9.3 22.3 5 401 A D + 0 0 77 -2,-1.9 21,-0.6 0, 0.0 2,-0.3 -0.439 41.1 109.5-108.6 50.7 50.5 10.0 20.5 6 402 A L - 0 0 34 1,-0.2 19,-0.1 19,-0.1 17,-0.1 -0.753 55.3-149.0-120.4 168.4 50.3 13.7 21.4 7 403 A T - 0 0 111 17,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.395 28.8-105.7-105.7-117.3 52.3 15.9 23.8 8 404 A F + 0 0 151 13,-0.0 15,-0.2 -2,-0.0 2,-0.0 -0.917 38.9 151.0-177.0 150.0 51.0 18.9 25.7 9 405 A L - 0 0 96 13,-0.7 2,-0.2 -2,-0.3 14,-0.1 -0.068 42.7 -61.4-148.7-102.0 51.2 22.7 25.6 10 406 A K - 0 0 117 1,-0.2 12,-0.9 259,-0.1 -1,-0.2 -0.710 61.9 -23.0-148.6-166.0 48.6 25.4 26.7 11 407 A E + 0 0 68 -2,-0.2 2,-0.3 10,-0.2 -1,-0.2 0.076 55.3 156.7 -45.3 157.1 45.3 27.2 26.6 12 408 A L - 0 0 22 8,-0.5 8,-0.2 1,-0.2 -1,-0.1 -0.918 36.8 -29.0-166.5-172.4 43.0 27.2 23.6 13 409 A G - 0 0 18 -2,-0.3 7,-1.3 6,-0.2 2,-0.2 0.065 51.4-142.1 -50.8 161.1 39.5 27.6 22.1 14 410 A T E +A 19 0A 36 5,-0.2 2,-0.3 20,-0.1 5,-0.3 -0.688 18.9 174.2-122.4 174.2 36.3 26.8 23.9 15 411 A G E > -A 18 0A 14 3,-0.9 3,-1.2 -2,-0.2 115,-0.0 -0.944 53.9 -82.5-169.1 166.0 32.9 25.3 23.1 16 412 A Q T 3 S+ 0 0 154 -2,-0.3 3,-0.1 1,-0.3 261,-0.0 0.522 130.4 50.6 -59.1 -6.8 29.7 24.3 25.0 17 413 A F T 3 S- 0 0 68 1,-0.4 2,-0.3 20,-0.0 -1,-0.3 0.695 125.0 -87.9 -97.6 -30.0 31.5 21.0 25.9 18 414 A G E < -A 15 0A 7 -3,-1.2 -3,-0.9 258,-0.1 -1,-0.4 -0.978 51.6 -47.5 154.0-167.2 34.6 22.8 27.1 19 415 A V E -A 14 0A 8 -2,-0.3 16,-1.2 -5,-0.3 2,-0.3 -0.258 45.6-131.3 -88.8-180.0 37.9 24.2 26.2 20 416 A V E -B 34 0B 11 -7,-1.3 -8,-0.5 14,-0.2 14,-0.3 -0.794 13.4-148.0-128.0 167.9 40.7 22.6 24.1 21 417 A K E -B 33 0B 35 12,-1.0 12,-2.7 -2,-0.3 2,-0.3 -0.845 22.8 -97.3-132.8 171.0 44.5 22.3 24.7 22 418 A Y E +B 32 0B 6 -12,-0.9 -13,-0.7 -2,-0.3 2,-0.3 -0.730 49.1 132.2-101.5 146.3 47.6 22.2 22.5 23 419 A G E -B 31 0B 10 8,-1.5 8,-2.6 -2,-0.3 2,-0.4 -0.964 46.7-107.8-170.1 170.3 49.6 19.2 21.2 24 420 A K E -B 30 0B 32 -2,-0.3 2,-0.4 6,-0.2 -17,-0.3 -0.895 30.7-151.5-112.1 145.3 51.2 17.7 18.0 25 421 A W E > -B 29 0B 24 4,-2.2 4,-0.8 -2,-0.4 -19,-0.1 -0.973 59.5 -21.0-127.2 134.0 49.6 14.8 16.2 26 422 A R T 4 S- 0 0 181 -21,-0.6 2,-0.6 -2,-0.4 -1,-0.2 0.870 127.2 -37.9 41.4 58.7 51.2 12.0 14.1 27 423 A G T 4 S- 0 0 68 -3,-0.1 2,-0.4 2,-0.1 -1,-0.1 -0.908 130.7 -5.4 101.4-116.8 54.3 13.9 13.2 28 424 A Q T 4 S+ 0 0 100 -2,-0.6 2,-0.5 -4,-0.1 -2,-0.1 -0.494 81.6 126.9-121.3 67.7 53.6 17.6 12.7 29 425 A Y E < -B 25 0B 27 -4,-0.8 -4,-2.2 -2,-0.4 2,-0.6 -0.981 53.2-136.0-117.3 118.3 49.9 18.4 12.8 30 426 A D E -B 24 0B 113 -2,-0.5 50,-2.0 -6,-0.2 2,-0.3 -0.709 33.5-178.6 -77.1 120.6 49.1 21.2 15.2 31 427 A V E -BC 23 79B 1 -8,-2.6 -8,-1.5 -2,-0.6 2,-0.5 -0.809 29.7-146.1-123.4 160.6 46.0 20.2 17.1 32 428 A A E -BC 22 78B 4 46,-2.5 46,-2.3 -2,-0.3 2,-0.6 -0.973 24.8-144.2-124.9 108.4 43.8 21.6 19.8 33 429 A I E -BC 21 77B 27 -12,-2.7 -12,-1.0 -2,-0.5 2,-0.3 -0.701 14.8-166.8 -85.7 115.3 42.5 18.9 22.1 34 430 A K E -BC 20 76B 27 42,-3.1 42,-2.5 -2,-0.6 2,-0.3 -0.738 11.5-139.5 -97.1 145.1 38.9 19.3 23.4 35 431 A M E - C 0 75B 90 -16,-1.2 40,-0.2 -2,-0.3 3,-0.1 -0.791 15.1-169.5-104.9 145.4 37.4 17.3 26.2 36 432 A I E - 0 0 11 38,-2.6 2,-0.2 1,-0.4 39,-0.1 0.624 55.4-114.8 -99.9 -21.3 33.9 16.0 26.2 37 433 A K E - C 0 74B 64 37,-0.7 37,-1.6 3,-0.1 2,-0.6 -0.663 39.0 -47.7 115.2-171.7 34.3 15.0 29.9 38 434 A E S S- 0 0 13 35,-0.2 2,-3.1 -2,-0.2 34,-0.1 -0.879 100.6 -38.4-103.4 122.4 34.5 11.8 32.0 39 435 A G S S+ 0 0 16 -2,-0.6 -1,-0.1 32,-0.4 419,-0.0 -0.268 107.7 104.1 68.4 -60.0 31.8 9.1 31.6 40 436 A S S S+ 0 0 27 -2,-3.1 2,-0.5 2,-0.1 -1,-0.2 0.700 88.9 30.6 -14.8 -64.2 29.0 11.7 31.2 41 437 A M S S- 0 0 83 -5,-0.0 2,-0.2 33,-0.0 33,-0.2 -0.919 94.1-132.9-108.4 128.2 28.8 11.0 27.4 42 438 A S >> - 0 0 49 -2,-0.5 4,-1.2 1,-0.1 3,-1.1 -0.601 16.2-114.8 -89.5 150.5 29.8 7.5 26.4 43 439 A E H 3> S+ 0 0 38 1,-0.3 4,-1.4 -2,-0.2 -1,-0.1 0.821 114.2 54.6 -40.9 -49.1 32.1 6.3 23.6 44 440 A D H 3> S+ 0 0 123 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.851 104.6 54.2 -58.8 -40.3 29.2 4.7 21.7 45 441 A E H X> S+ 0 0 77 -3,-1.1 3,-0.9 1,-0.2 4,-0.7 0.981 110.0 42.1 -58.2 -64.6 27.1 7.9 21.5 46 442 A F H 3X S+ 0 0 25 -4,-1.2 4,-2.5 1,-0.2 5,-0.2 0.724 94.4 84.1 -58.3 -27.2 29.7 10.3 20.0 47 443 A I H 3X S+ 0 0 52 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.885 92.6 45.2 -45.1 -51.6 30.9 7.6 17.4 48 444 A E H < S+ 0 0 16 -4,-2.2 3,-1.6 1,-0.2 11,-0.2 0.907 108.9 54.7 -70.9 -43.0 31.7 15.5 11.4 54 450 A M H 3< S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.712 99.7 63.3 -63.9 -19.5 34.8 14.0 9.8 55 451 A N T 3< S+ 0 0 138 -4,-1.0 -1,-0.3 -3,-0.2 2,-0.2 0.719 90.1 84.8 -75.1 -20.2 32.9 13.6 6.6 56 452 A L < + 0 0 10 -3,-1.6 2,-0.2 -4,-0.4 8,-0.2 -0.570 58.1 161.1 -79.6 143.4 32.6 17.4 6.6 57 453 A S + 0 0 62 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.794 9.8 139.1-169.8 124.6 35.6 19.2 5.1 58 454 A H > - 0 0 49 3,-0.4 3,-2.0 -2,-0.2 54,-0.1 -0.903 54.7-118.8-162.3 140.6 36.2 22.6 3.8 59 455 A E T 3 S+ 0 0 132 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.531 116.0 56.2 -63.4 -6.3 39.4 24.8 4.3 60 456 A K T 3 S+ 0 0 15 80,-0.1 81,-2.5 51,-0.1 2,-0.4 0.153 95.1 76.7-110.1 14.5 37.1 27.3 6.0 61 457 A L B < S-e 141 0C 0 -3,-2.0 2,-0.4 79,-0.3 -3,-0.4 -0.985 91.7-114.4-124.0 130.4 35.7 24.9 8.5 62 458 A V - 0 0 6 79,-2.6 2,-0.3 -2,-0.4 -2,-0.1 -0.607 43.3-130.2 -66.4 121.6 37.9 23.9 11.5 63 459 A Q - 0 0 43 -2,-0.4 16,-1.6 -4,-0.1 2,-0.5 -0.591 5.6-136.2 -81.6 142.8 38.5 20.2 10.8 64 460 A L E -D 78 0B 18 -2,-0.3 14,-0.2 -8,-0.2 3,-0.1 -0.803 17.6-172.5 -94.0 132.3 38.1 17.4 13.3 65 461 A Y E - 0 0 80 12,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.873 53.7 -40.4 -93.5 -46.0 41.0 15.0 13.1 66 462 A G E -D 77 0B 7 11,-0.9 11,-1.6 -64,-0.1 2,-0.4 -0.985 48.1-106.6-171.2 174.9 39.9 12.2 15.3 67 463 A V E -D 76 0B 8 -2,-0.3 -65,-1.1 9,-0.2 2,-0.4 -0.926 7.7-163.2-120.2 141.3 38.2 11.0 18.5 68 464 A C E +D 75 0B 16 7,-2.8 7,-2.0 -2,-0.4 8,-0.1 -0.703 29.5 154.7-120.6 69.3 39.9 9.5 21.6 69 465 A T + 0 0 0 -2,-0.4 2,-2.3 5,-0.3 -26,-0.2 0.067 13.5 154.3 -84.6 23.7 36.8 8.0 23.1 70 466 A K - 0 0 107 -68,-0.2 2,-2.4 3,-0.2 -1,-0.1 -0.295 68.7 -93.2 -61.5 79.3 38.9 5.4 24.9 71 467 A Q S S+ 0 0 103 -2,-2.3 -32,-0.4 -32,-0.0 3,-0.2 -0.215 111.8 68.4 49.4 -72.7 36.6 4.7 27.8 72 468 A R S S- 0 0 132 -2,-2.4 -34,-0.1 1,-0.2 -35,-0.0 -0.216 115.4 -18.0 -64.8 167.7 38.1 7.2 30.2 73 469 A P S S- 0 0 22 0, 0.0 2,-0.5 0, 0.0 -35,-0.2 0.422 75.1-125.2 -10.9 117.7 37.5 11.0 29.3 74 470 A I E -C 37 0B 4 -37,-1.6 -38,-2.6 -33,-0.2 -37,-0.7 -0.675 32.1-169.1 -78.8 124.0 36.5 11.3 25.6 75 471 A F E -CD 35 68B 42 -7,-2.0 -7,-2.8 -2,-0.5 2,-0.3 -0.773 11.3-163.0-113.1 160.6 38.8 13.7 23.8 76 472 A I E -CD 34 67B 11 -42,-2.5 -42,-3.1 -2,-0.3 2,-0.5 -0.980 8.1-150.4-141.5 140.0 38.6 15.3 20.4 77 473 A I E +CD 33 66B 10 -11,-1.6 -12,-2.8 -2,-0.3 -11,-0.9 -0.986 18.5 176.7-117.9 122.3 41.5 16.9 18.4 78 474 A T E -CD 32 64B 24 -46,-2.3 -46,-2.5 -2,-0.5 -14,-0.2 -0.675 44.3 -75.0-115.2 168.5 40.6 19.7 16.0 79 475 A E E -C 31 0B 25 -16,-1.6 -48,-0.2 -2,-0.2 2,-0.2 -0.476 52.8-114.0 -68.5 137.2 43.0 21.9 14.0 80 476 A Y - 0 0 82 -50,-2.0 2,-0.5 -2,-0.1 -50,-0.1 -0.548 23.8-157.8 -73.6 137.2 44.9 24.5 16.0 81 477 A M > - 0 0 2 -2,-0.2 3,-2.0 53,-0.1 52,-0.3 -0.887 3.0-157.5-122.3 100.2 44.2 28.1 15.2 82 478 A A T 3 S+ 0 0 36 -2,-0.5 52,-0.2 1,-0.3 -1,-0.1 0.682 88.5 46.5 -47.7 -36.5 47.0 30.5 16.3 83 479 A N T 3 S- 0 0 28 50,-2.5 -1,-0.3 1,-0.3 2,-0.2 0.538 99.1-143.0 -90.8 -1.0 45.0 33.7 16.6 84 480 A G E < -F 133 0C 21 -3,-2.0 49,-2.8 49,-0.6 -1,-0.3 -0.537 53.2 -1.9 80.2-147.3 42.2 32.2 18.6 85 481 A C E > -F 132 0C 21 47,-0.3 4,-2.3 -2,-0.2 3,-0.3 -0.555 64.1-121.2 -84.6 151.0 38.5 33.2 18.1 86 482 A L H > S+ 0 0 0 45,-2.7 4,-2.9 42,-0.5 43,-0.2 0.807 111.2 61.7 -55.9 -34.9 37.4 35.9 15.7 87 483 A L H > S+ 0 0 1 41,-1.0 4,-0.9 44,-0.4 -1,-0.2 0.958 109.0 40.1 -59.2 -49.7 35.9 37.9 18.6 88 484 A N H >> S+ 0 0 76 -3,-0.3 4,-2.3 1,-0.2 3,-0.5 0.886 115.0 54.5 -65.6 -38.7 39.2 38.2 20.3 89 485 A Y H 3< S+ 0 0 25 -4,-2.3 5,-0.3 1,-0.2 -2,-0.2 0.913 103.6 54.8 -61.8 -44.0 40.9 38.9 17.0 90 486 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.722 117.5 34.5 -63.6 -26.7 38.5 41.7 16.1 91 487 A R H << S+ 0 0 47 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.758 104.6 77.7-100.8 -30.5 39.3 43.6 19.3 92 488 A E S >< S- 0 0 49 -4,-2.3 3,-2.8 -5,-0.1 4,-0.1 0.380 109.9 -51.7 -64.4-160.2 43.0 42.9 20.0 93 489 A M G > S+ 0 0 120 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 0.760 132.2 65.0 -49.1 -31.1 46.1 44.4 18.4 94 490 A R G 3 + 0 0 99 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.553 67.5 111.2 -72.8 -4.7 44.7 43.6 14.9 95 491 A H G < + 0 0 59 -3,-2.8 2,-1.9 1,-0.2 -1,-0.2 0.725 55.5 83.2 -38.7 -36.5 41.9 46.1 15.6 96 492 A R < + 0 0 195 -3,-0.8 -1,-0.2 -4,-0.1 -5,-0.0 -0.548 66.3 141.6 -76.0 80.5 43.3 48.4 12.9 97 493 A F - 0 0 30 -2,-1.9 2,-0.3 -7,-0.1 3,-0.1 0.244 41.2-135.5 -95.1-140.6 41.7 46.7 9.9 98 494 A Q >> - 0 0 105 1,-0.0 4,-1.7 127,-0.0 3,-1.2 -0.836 35.3 -96.5-178.8 149.0 40.2 48.1 6.7 99 495 A T H 3> S+ 0 0 60 1,-0.3 4,-2.9 -2,-0.3 5,-0.3 0.817 121.4 63.8 -45.0 -37.3 37.0 47.2 4.8 100 496 A Q H 3> S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.905 106.6 40.7 -56.7 -44.5 39.0 44.9 2.6 101 497 A Q H <> S+ 0 0 74 -3,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.780 112.9 56.7 -76.1 -27.9 39.9 42.6 5.5 102 498 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.947 110.1 42.4 -70.7 -44.5 36.4 42.9 6.9 103 499 A L H X S+ 0 0 29 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.891 109.1 59.4 -68.9 -38.4 34.7 41.7 3.8 104 500 A E H X S+ 0 0 97 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.903 104.9 50.8 -54.9 -42.8 37.4 38.9 3.3 105 501 A M H X S+ 0 0 9 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.889 107.9 51.2 -63.7 -42.0 36.4 37.5 6.7 106 502 A C H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.885 110.3 51.0 -62.7 -38.3 32.7 37.5 5.8 107 503 A K H X S+ 0 0 58 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.932 106.3 53.1 -63.8 -47.9 33.6 35.6 2.6 108 504 A D H X S+ 0 0 4 -4,-2.4 4,-1.4 1,-0.2 33,-0.2 0.894 114.2 43.3 -53.9 -45.0 35.7 33.0 4.5 109 505 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.881 111.9 52.3 -70.2 -40.5 32.6 32.3 6.7 110 506 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.768 106.5 55.6 -67.5 -26.5 30.1 32.3 3.8 111 507 A E H X S+ 0 0 41 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.896 111.1 42.8 -71.7 -40.7 32.3 29.8 2.0 112 508 A A H X S+ 0 0 0 -4,-1.4 4,-1.6 -5,-0.2 -2,-0.2 0.859 116.9 48.1 -72.5 -34.4 32.1 27.4 5.0 113 509 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.892 107.5 53.1 -73.3 -41.8 28.4 28.1 5.5 114 510 A E H X S+ 0 0 67 -4,-2.4 4,-2.0 134,-0.2 -1,-0.2 0.919 109.6 51.9 -58.8 -41.6 27.5 27.6 1.8 115 511 A Y H X S+ 0 0 43 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.892 108.8 48.7 -61.7 -44.0 29.3 24.2 2.0 116 512 A L H ><>S+ 0 0 1 -4,-1.6 5,-2.5 1,-0.2 3,-1.1 0.933 108.2 55.2 -63.0 -43.6 27.3 23.2 5.1 117 513 A E H ><5S+ 0 0 46 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.905 105.3 51.5 -55.4 -44.6 24.0 24.2 3.4 118 514 A S H 3<5S+ 0 0 71 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.675 111.9 48.4 -67.8 -17.5 24.8 21.9 0.5 119 515 A K T <<5S- 0 0 87 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.219 112.0-121.0-105.2 12.1 25.4 19.1 2.9 120 516 A Q T < 5 + 0 0 99 -3,-1.8 30,-0.9 1,-0.2 2,-0.6 0.809 68.4 138.4 51.0 33.6 22.1 19.8 4.8 121 517 A F B < -H 149 0D 4 -5,-2.5 2,-0.4 28,-0.2 28,-0.2 -0.940 38.9-156.8-109.5 121.6 24.2 20.4 8.0 122 518 A L - 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0 0 123 -2,-2.8 -2,-0.3 255,-0.0 -3,-0.0 -0.931 55.7-126.2-178.4 168.4 19.9 29.3 27.6 163 559 A F - 0 0 49 -2,-0.3 2,-2.8 -4,-0.1 3,-0.2 -0.990 19.8-127.4-137.0 135.6 19.8 30.8 24.1 164 560 A P > + 0 0 30 0, 0.0 3,-2.0 0, 0.0 4,-0.1 -0.457 44.0 173.9 -77.9 68.4 22.3 33.0 22.2 165 561 A V G > + 0 0 12 -2,-2.8 3,-1.8 1,-0.3 8,-0.1 0.743 62.0 69.3 -47.4 -37.0 19.3 35.3 21.7 166 562 A R G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -3,-0.2 133,-0.0 0.506 107.2 38.0 -66.7 -7.1 21.2 38.1 20.0 167 563 A W G < S+ 0 0 8 -3,-2.0 -1,-0.3 2,-0.1 -41,-0.2 0.130 97.6 103.9-127.8 17.0 21.9 35.9 16.9 168 564 A S < - 0 0 7 -3,-1.8 15,-0.1 17,-0.1 14,-0.1 -0.840 65.1-130.7-111.9 135.1 18.6 34.2 16.7 169 565 A P >> - 0 0 2 0, 0.0 4,-2.3 0, 0.0 3,-2.1 -0.438 37.1-102.2 -72.7 157.1 15.7 34.8 14.3 170 566 A P H 3> S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.836 120.0 58.4 -49.8 -38.1 12.2 35.2 15.9 171 567 A E H 3> S+ 0 0 21 2,-0.2 6,-2.3 1,-0.2 4,-1.0 0.667 110.9 42.9 -70.0 -14.3 11.1 31.7 14.9 172 568 A V H <> S+ 0 0 1 -3,-2.1 4,-2.0 4,-0.3 -1,-0.2 0.802 112.7 53.9 -92.0 -36.8 14.0 30.3 16.9 173 569 A L H < S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.1 0.803 115.7 40.6 -63.5 -31.7 13.2 32.8 19.7 174 570 A M H < S- 0 0 140 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.819 141.6 -12.3 -90.6 -37.3 9.6 31.5 19.8 175 571 A Y H < S- 0 0 144 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.1 0.054 91.6 -97.6-159.5 37.3 9.9 27.7 19.4 176 572 A S < + 0 0 14 -4,-2.0 2,-1.7 1,-0.2 -4,-0.3 0.804 55.8 168.8 48.1 42.6 13.4 26.7 18.4 177 573 A K - 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