==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-MAY-13 4KIO . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.O.SOMERS . 972 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 66 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 4 4 0 5 5 3 0 2 1 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 PARALLEL BRIDGES PER LADDER . 5 0 4 4 4 6 1 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 4 0 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 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 1 355 A G 0 0 78 0, 0.0 2,-0.2 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 155.2 16.6 1.1 -18.0 2 356 A S - 0 0 79 59,-0.4 61,-1.7 1,-0.0 2,-0.3 -0.489 360.0-135.5 -75.3 141.6 13.7 2.8 -19.7 3 357 A V B -a 63 0A 101 59,-0.2 2,-0.4 -2,-0.2 61,-0.2 -0.748 23.4-147.9 -89.2 143.5 14.0 6.5 -20.4 4 358 A I - 0 0 2 59,-3.1 62,-0.5 -2,-0.3 61,-0.4 -0.973 6.4-134.6-123.2 131.5 10.7 8.4 -19.5 5 359 A D > - 0 0 85 -2,-0.4 3,-2.4 59,-0.1 4,-0.2 -0.672 20.3-129.4 -80.0 133.8 9.2 11.5 -21.2 6 360 A P G > S+ 0 0 49 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.727 105.5 69.1 -55.1 -27.1 8.1 14.2 -18.7 7 361 A S G 3 S+ 0 0 103 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.685 92.5 62.0 -63.5 -17.1 4.6 14.3 -20.4 8 362 A E G < S+ 0 0 67 -3,-2.4 19,-2.4 19,-0.1 20,-0.5 0.508 92.9 82.3 -85.0 -3.9 4.1 10.8 -19.0 9 363 A L E < -B 26 0A 14 -3,-1.6 2,-0.5 17,-0.2 17,-0.2 -0.820 58.1-163.4-110.7 139.8 4.3 12.0 -15.5 10 364 A T E -B 25 0A 56 15,-1.9 15,-1.9 -2,-0.4 2,-0.6 -0.993 13.6-147.7-118.1 123.1 1.6 13.6 -13.3 11 365 A F E +B 24 0A 99 -2,-0.5 13,-0.2 13,-0.2 3,-0.1 -0.822 26.4 165.4 -92.6 116.1 2.9 15.4 -10.2 12 366 A V E + 0 0 14 11,-2.2 2,-0.3 -2,-0.6 12,-0.2 0.854 59.5 0.8-101.1 -46.9 0.2 15.1 -7.6 13 367 A Q E -B 23 0A 14 10,-2.1 10,-3.1 0, 0.0 2,-0.3 -0.961 59.8-126.9-152.4 129.2 1.8 16.1 -4.3 14 368 A E E +B 22 0A 93 -2,-0.3 8,-0.3 8,-0.2 3,-0.1 -0.599 31.5 168.9 -69.3 130.2 5.2 17.3 -3.1 15 369 A I E + 0 0 92 6,-3.0 2,-0.3 -2,-0.3 7,-0.2 0.547 57.2 15.9-118.4 -15.3 6.3 15.0 -0.2 16 370 A G E +B 21 0A 24 5,-1.8 5,-2.5 2,-0.0 -1,-0.3 -0.989 54.6 165.4-159.3 160.7 10.0 16.0 0.3 17 371 A S 0 0 88 -2,-0.3 0, 0.0 3,-0.3 0, 0.0 -0.884 360.0 360.0-158.9-175.1 12.7 18.6 -0.3 18 372 A G 0 0 123 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.243 360.0 360.0 54.2 360.0 16.2 19.9 0.6 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 20 376 A L 0 0 81 0, 0.0 16,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 105.2 12.6 17.5 -4.3 21 377 A V E -BC 16 35A 33 -5,-2.5 -6,-3.0 14,-0.2 -5,-1.8 -0.990 360.0-174.3-122.3 131.7 10.4 14.4 -4.2 22 378 A H E -BC 14 34A 28 12,-2.5 12,-2.7 -2,-0.4 2,-0.4 -0.937 26.3-131.0-120.5 142.5 6.8 14.2 -5.5 23 379 A L E +BC 13 33A 5 -10,-3.1 -11,-2.2 -2,-0.4 -10,-2.1 -0.785 53.0 142.4 -77.6 137.2 4.2 11.5 -5.3 24 380 A G E -BC 11 32A 0 8,-2.4 8,-2.7 -2,-0.4 2,-0.4 -0.871 45.4-102.4-157.2-172.4 2.9 11.2 -8.9 25 381 A Y E -BC 10 31A 50 -15,-1.9 -15,-1.9 -2,-0.2 2,-0.5 -0.957 15.6-145.2-125.4 145.1 1.7 8.8 -11.6 26 382 A W E >> S-BC 9 30A 42 4,-2.4 3,-1.9 -2,-0.4 4,-1.7 -0.959 90.3 -7.6-107.0 127.2 3.5 7.3 -14.6 27 383 A L T 34 S- 0 0 88 -19,-2.4 -1,-0.2 -2,-0.5 -18,-0.1 0.791 117.7 -76.5 59.6 32.5 1.1 6.8 -17.5 28 384 A N T 34 S+ 0 0 132 -20,-0.5 -1,-0.3 -3,-0.2 3,-0.1 0.741 129.7 76.0 48.8 27.9 -1.8 7.7 -15.3 29 385 A K T <4 S+ 0 0 147 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.660 76.5 53.6-126.5 -72.0 -1.4 4.2 -14.0 30 386 A D E < S-C 26 0A 30 -4,-1.7 -4,-2.4 1,-0.1 -1,-0.3 -0.595 71.6-127.7 -83.2 133.6 1.5 3.5 -11.6 31 387 A K E +C 25 0A 66 -2,-0.3 45,-0.8 -6,-0.2 2,-0.3 -0.572 39.8 178.8 -71.4 137.1 2.1 5.5 -8.4 32 388 A V E -CD 24 75A 0 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.6 -0.956 35.7-129.3-140.3 157.8 5.6 6.7 -8.4 33 389 A A E -CD 23 74A 16 41,-2.1 41,-2.8 -2,-0.3 2,-0.6 -0.962 29.1-159.3-104.4 116.6 8.1 8.8 -6.3 34 390 A I E -CD 22 73A 0 -12,-2.7 -12,-2.5 -2,-0.6 2,-0.6 -0.903 2.3-161.4-105.3 119.2 9.6 11.3 -8.6 35 391 A K E -CD 21 72A 58 37,-2.8 37,-2.3 -2,-0.6 2,-0.4 -0.911 6.7-155.1-107.5 118.1 12.9 12.7 -7.4 36 392 A T E D 0 71A 24 -16,-3.4 35,-0.2 -2,-0.6 34,-0.1 -0.824 360.0 360.0 -99.8 133.6 14.0 16.0 -9.0 37 393 A I 0 0 93 33,-2.6 -1,-0.1 -2,-0.4 34,-0.0 -0.129 360.0 360.0 -49.6 360.0 17.7 17.0 -9.2 38 ! 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 39 400 A E > 0 0 120 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -46.1 23.9 15.5 -13.5 40 401 A E H > + 0 0 79 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.769 360.0 50.8 -53.9 -30.3 26.1 12.7 -14.8 41 402 A D H > S+ 0 0 128 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.935 108.0 49.5 -71.2 -53.4 26.4 11.5 -11.2 42 403 A F H > S+ 0 0 34 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.919 115.0 44.8 -52.1 -51.5 22.6 11.5 -10.5 43 404 A I H X S+ 0 0 36 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.866 107.8 58.2 -63.2 -41.5 22.0 9.5 -13.7 44 405 A E H X S+ 0 0 102 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.863 102.0 54.8 -61.0 -39.7 24.9 7.0 -13.0 45 406 A E H X S+ 0 0 35 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.880 106.3 52.7 -56.2 -43.4 23.4 6.0 -9.6 46 407 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 -3,-0.2 -2,-0.2 0.955 108.4 49.4 -59.4 -49.5 20.1 5.2 -11.5 47 408 A E H < S+ 0 0 73 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.868 110.9 49.7 -59.8 -42.1 21.9 2.9 -13.9 48 409 A V H >< S+ 0 0 40 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.940 113.2 46.5 -58.2 -49.1 23.8 1.1 -11.1 49 410 A M H >< S+ 0 0 5 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.786 100.7 65.7 -68.2 -31.0 20.5 0.5 -9.2 50 411 A M T 3< S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.562 104.3 46.9 -71.8 -9.0 18.6 -0.7 -12.2 51 412 A K T < S+ 0 0 181 -3,-1.2 2,-0.6 -4,-0.4 -1,-0.3 0.152 93.7 84.6-114.0 19.7 20.8 -3.8 -12.4 52 413 A L < - 0 0 23 -3,-1.6 2,-0.7 2,-0.1 -1,-0.1 -0.929 59.7-176.9-122.0 100.9 20.7 -4.7 -8.7 53 414 A S + 0 0 85 -2,-0.6 5,-0.1 6,-0.1 6,-0.1 -0.879 20.1 136.2-112.3 103.3 17.6 -6.8 -8.2 54 415 A H > - 0 0 38 -2,-0.7 3,-2.0 3,-0.3 -2,-0.1 -0.993 57.8-121.4-144.1 141.7 16.8 -7.8 -4.6 55 416 A P T 3 S+ 0 0 95 0, 0.0 53,-0.1 0, 0.0 -1,-0.0 0.735 112.9 49.0 -55.2 -23.5 13.5 -7.8 -2.7 56 417 A K T 3 S+ 0 0 31 80,-0.1 81,-3.2 2,-0.1 2,-0.4 0.111 96.8 82.8-105.6 23.3 14.9 -5.5 0.0 57 418 A L B < S-f 137 0B 1 -3,-2.0 -3,-0.3 79,-0.3 81,-0.2 -0.992 85.7-111.1-124.7 129.6 16.4 -2.9 -2.4 58 419 A V - 0 0 2 79,-2.7 2,-0.3 -2,-0.4 82,-0.1 -0.177 33.6-140.6 -60.3 150.6 14.2 -0.1 -3.9 59 420 A Q - 0 0 91 -6,-0.1 16,-2.2 -9,-0.0 2,-0.3 -0.839 3.4-138.6-116.1 155.5 13.5 -0.3 -7.6 60 421 A L E - E 0 74A 27 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.829 10.9-160.0-111.7 145.3 13.2 2.3 -10.4 61 422 A Y E - 0 0 85 12,-3.0 -59,-0.4 -2,-0.3 2,-0.3 0.714 68.9 -75.3 -83.9 -29.7 10.7 2.6 -13.3 62 423 A G E - E 0 73A 0 11,-1.8 11,-2.8 -61,-0.1 2,-0.4 -0.993 45.3 -76.1 161.9-171.5 13.2 4.8 -15.1 63 424 A V E -aE 3 72A 4 -61,-1.7 -59,-3.1 -2,-0.3 2,-0.6 -0.943 24.9-140.6-127.5 148.6 14.9 8.1 -15.7 64 425 A C E + E 0 71A 7 7,-2.9 7,-1.7 -2,-0.4 -59,-0.1 -0.948 26.2 164.8-111.2 112.1 13.6 11.3 -17.2 65 426 A L + 0 0 83 -2,-0.6 3,-0.1 -61,-0.4 -1,-0.1 0.306 43.2 109.0-104.3 6.6 16.3 13.1 -19.3 66 427 A E S S- 0 0 60 -62,-0.5 2,-0.3 1,-0.2 4,-0.1 0.920 87.1 -17.9 -52.5 -63.4 13.9 15.5 -21.1 67 428 A Q S S- 0 0 70 2,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.998 85.7 -60.9-151.6 144.8 14.8 18.8 -19.5 68 429 A A S S+ 0 0 73 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.450 112.3 55.3 -65.5 135.4 16.6 20.2 -16.4 69 430 A P S S- 0 0 85 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.368 90.7-162.9 -72.6 131.7 15.8 19.8 -13.6 70 431 A I - 0 0 7 -2,-0.1 -33,-2.6 -4,-0.1 2,-0.3 -0.268 6.9-154.4 -75.2 171.1 16.1 16.1 -14.6 71 432 A C E -DE 36 64A 7 -7,-1.7 -7,-2.9 -35,-0.2 2,-0.4 -0.979 18.1-132.9-149.9 160.0 14.5 13.3 -12.5 72 433 A L E -DE 35 63A 3 -37,-2.3 -37,-2.8 -2,-0.3 2,-0.6 -0.923 20.4-145.5-109.1 143.9 14.5 9.8 -11.4 73 434 A V E +DE 34 62A 0 -11,-2.8 -12,-3.0 -2,-0.4 -11,-1.8 -0.929 25.4 175.1-116.7 108.7 11.2 7.7 -11.3 74 435 A F E -DE 33 60A 14 -41,-2.8 -41,-2.1 -2,-0.6 -14,-0.2 -0.639 39.4 -91.7-108.6 162.3 11.0 5.2 -8.5 75 436 A E E -D 32 0A 39 -16,-2.2 2,-0.6 -43,-0.2 -43,-0.2 -0.410 52.1-108.9 -63.5 148.7 8.4 2.8 -7.2 76 437 A F - 0 0 36 -45,-0.8 2,-0.7 -44,-0.1 -45,-0.1 -0.786 23.1-151.2 -91.0 117.8 6.4 4.6 -4.5 77 438 A M > - 0 0 18 -2,-0.6 3,-1.5 1,-0.1 52,-0.2 -0.838 12.7-145.1 -89.8 116.5 7.0 3.2 -1.0 78 439 A E T 3 S+ 0 0 55 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.727 89.1 40.7 -60.3 -30.6 3.7 3.8 0.9 79 440 A H T 3 S- 0 0 64 50,-2.5 -1,-0.3 1,-0.3 51,-0.2 0.238 96.6-142.8-108.4 14.3 5.1 4.6 4.4 80 441 A G < + 0 0 30 -3,-1.5 49,-2.8 49,-0.3 -1,-0.3 -0.167 53.0 4.8 71.1-157.6 8.1 6.8 3.6 81 442 A C B > -G 128 0B 44 47,-0.2 4,-2.6 1,-0.1 47,-0.3 -0.365 61.8-130.3 -69.4 144.3 11.5 7.0 5.2 82 443 A L H > S+ 0 0 0 45,-2.5 4,-2.6 42,-0.9 43,-0.2 0.858 106.4 55.9 -64.1 -36.0 12.2 4.5 8.0 83 444 A S H > S+ 0 0 5 41,-1.0 4,-1.6 44,-0.3 -1,-0.2 0.952 111.8 40.7 -62.6 -50.2 13.4 7.3 10.3 84 445 A D H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.935 114.4 53.6 -65.2 -43.0 10.2 9.3 10.1 85 446 A Y H X S+ 0 0 22 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.895 107.0 50.6 -58.1 -45.8 8.1 6.1 10.3 86 447 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.1 47.0 -56.7 -40.4 9.8 4.9 13.5 87 448 A R H >< S+ 0 0 42 -4,-1.6 3,-1.4 -5,-0.2 -2,-0.2 0.934 111.4 46.7 -69.7 -51.3 9.2 8.4 15.0 88 449 A T H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.728 118.0 44.3 -66.9 -25.9 5.5 8.8 14.0 89 450 A Q T >< S+ 0 0 61 -4,-1.6 3,-2.2 -5,-0.3 -1,-0.3 0.083 79.9 151.1-103.1 19.8 4.7 5.2 15.3 90 451 A R T < + 0 0 46 -3,-1.4 -3,-0.1 1,-0.3 88,-0.0 -0.298 68.0 21.9 -57.7 135.9 6.6 5.4 18.5 91 452 A G T 3 S+ 0 0 60 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.307 105.0 86.2 89.7 -5.0 5.1 3.2 21.2 92 453 A L < + 0 0 131 -3,-2.2 2,-0.4 2,-0.1 -2,-0.1 0.308 66.8 95.8-109.4 9.6 3.3 0.9 18.7 93 454 A F - 0 0 19 -4,-0.2 2,-0.2 -7,-0.1 -2,-0.1 -0.866 59.8-145.3-108.9 135.9 6.1 -1.6 17.9 94 455 A A > - 0 0 46 -2,-0.4 4,-1.7 1,-0.1 3,-0.4 -0.556 31.7-115.0 -81.9 156.7 6.8 -4.9 19.4 95 456 A A H > S+ 0 0 35 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.862 115.2 57.9 -63.6 -37.4 10.4 -5.8 19.7 96 457 A E H > S+ 0 0 142 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.850 103.6 52.9 -61.8 -35.0 10.1 -8.7 17.1 97 458 A T H > S+ 0 0 46 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.929 109.4 49.8 -67.2 -41.2 8.8 -6.2 14.5 98 459 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.898 110.3 48.6 -65.6 -42.8 11.9 -4.0 15.1 99 460 A L H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.938 108.1 56.5 -62.1 -40.8 14.2 -7.0 14.8 100 461 A G H X S+ 0 0 27 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.836 104.4 53.1 -59.7 -35.4 12.4 -7.9 11.5 101 462 A M H X S+ 0 0 3 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.899 108.4 48.4 -66.0 -45.5 13.2 -4.4 10.2 102 463 A C H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.903 110.0 53.4 -59.5 -42.1 16.9 -4.9 10.9 103 464 A L H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.902 106.2 52.8 -59.7 -43.5 16.7 -8.3 9.2 104 465 A D H X S+ 0 0 25 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.951 112.1 44.7 -56.6 -50.1 15.2 -6.7 6.0 105 466 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.901 112.4 52.1 -62.1 -40.8 17.9 -4.1 5.8 106 467 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.830 105.0 54.6 -69.6 -35.4 20.6 -6.7 6.5 107 468 A E H X S+ 0 0 62 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.944 111.4 46.3 -60.4 -48.9 19.3 -9.0 3.7 108 469 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.903 113.0 48.9 -58.9 -41.0 19.6 -6.1 1.2 109 470 A M H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.828 106.2 56.6 -72.4 -27.8 23.1 -5.2 2.5 110 471 A A H X S+ 0 0 14 -4,-2.1 4,-2.0 119,-0.2 -1,-0.2 0.912 108.2 48.1 -71.5 -39.7 24.3 -8.8 2.2 111 472 A Y H X S+ 0 0 66 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.924 113.1 47.1 -58.9 -49.7 23.3 -8.7 -1.4 112 473 A L H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 -2,-0.2 0.923 111.1 52.9 -59.2 -42.7 25.1 -5.4 -2.0 113 474 A E H ><5S+ 0 0 36 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.893 108.6 48.7 -57.9 -44.8 28.2 -6.8 -0.1 114 475 A E H 3<5S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 110.2 52.7 -66.8 -32.8 28.3 -9.8 -2.4 115 476 A A T 3<5S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.356 115.8-117.6 -80.7 4.9 28.0 -7.5 -5.4 116 477 A C T < 5 + 0 0 115 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.875 66.0 147.1 54.3 40.3 31.0 -5.5 -4.1 117 478 A V < - 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0 0 16 -3,-1.8 15,-0.1 -4,-0.2 14,-0.0 -0.751 61.8-134.5-100.7 134.3 27.7 19.5 38.3 892 526 D S > - 0 0 0 -2,-0.4 4,-2.8 13,-0.1 3,-0.5 -0.245 34.5-103.6 -69.8 162.2 28.2 21.9 35.4 893 527 D P H > S+ 0 0 18 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.911 122.7 52.5 -56.0 -44.7 28.8 20.4 31.9 894 528 D E H > S+ 0 0 9 69,-0.3 6,-1.6 1,-0.2 4,-1.4 0.812 112.8 47.6 -63.7 -27.0 32.6 21.1 32.0 895 529 D V H > S+ 0 0 13 -3,-0.5 4,-1.5 4,-0.3 -1,-0.2 0.930 114.6 42.8 -77.1 -48.1 32.7 19.2 35.3 896 530 D F H < S+ 0 0 45 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.1 0.831 125.6 34.9 -70.7 -26.7 30.7 16.2 34.3 897 531 D S H < S+ 0 0 69 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.903 141.2 4.8 -89.0 -46.3 32.5 15.9 30.9 898 532 D F H < S- 0 0 127 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.2 0.348 89.0-116.8-123.8 5.1 36.1 17.0 31.7 899 533 D S < + 0 0 85 -4,-1.5 2,-1.0 -6,-0.2 -4,-0.3 0.930 52.9 164.3 53.7 47.0 36.3 17.6 35.5 900 534 D R - 0 0 143 -6,-1.6 2,-0.2 -8,-0.1 -1,-0.2 -0.761 16.3-170.2-101.0 88.5 37.0 21.2 34.9 901 535 D Y + 0 0 94 -2,-1.0 2,-0.3 -3,-0.1 3,-0.1 -0.524 19.4 138.0 -78.6 142.4 36.4 22.8 38.3 902 536 D S > - 0 0 35 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.956 68.6 -86.2-166.9 175.1 36.4 26.6 38.9 903 537 D S H > S+ 0 0 25 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.854 128.5 57.5 -62.9 -31.0 34.4 29.3 40.7 904 538 D K H > S+ 0 0 53 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.855 104.2 50.5 -67.3 -34.0 32.1 29.3 37.6 905 539 D S H > S+ 0 0 3 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.917 108.8 51.9 -67.8 -43.5 31.4 25.5 38.2 906 540 D D H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.878 104.8 58.1 -54.8 -37.8 30.7 26.4 41.9 907 541 D V H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.927 104.3 49.7 -61.4 -42.4 28.3 29.0 40.5 908 542 D W H >X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 3,-0.5 0.953 110.2 50.3 -56.8 -51.5 26.4 26.3 38.6 909 543 D S H 3X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.886 106.6 56.8 -54.2 -39.4 26.2 24.3 41.8 910 544 D F H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.847 101.6 55.5 -61.6 -38.1 24.9 27.4 43.6 911 545 D G H S+ 0 0 4 -4,-2.4 5,-3.5 1,-0.2 6,-0.4 0.881 113.0 47.7 -61.0 -42.1 16.8 23.3 46.7 917 551 D V H ><5S+ 0 0 0 -4,-2.6 3,-1.3 3,-0.2 -2,-0.2 0.933 113.4 43.3 -67.6 -49.3 16.1 26.2 48.8 918 552 D F H 3<5S+ 0 0 5 -4,-2.8 30,-0.5 1,-0.3 -1,-0.2 0.719 114.0 51.5 -72.9 -23.5 13.1 27.6 47.0 919 553 D S T 3<5S- 0 0 12 -4,-1.7 -1,-0.3 -5,-0.2 3,-0.2 0.281 116.0-119.4 -86.2 1.4 11.6 24.2 46.6 920 554 D E T < 5S- 0 0 22 -3,-1.3 -3,-0.2 1,-0.2 -87,-0.1 0.864 76.2 -34.6 59.4 45.2 12.1 23.7 50.4 921 555 D G S - 0 0 27 -4,-0.1 3,-1.2 1,-0.0 -1,-0.1 -0.808 34.6-119.4 -91.1 123.3 15.8 16.6 45.4 924 558 D P T 3 S+ 0 0 0 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.362 93.5 4.0 -65.7 143.3 16.8 18.0 42.0 925 559 D Y T > S- 0 0 3 1,-0.2 3,-1.9 2,-0.1 8,-0.1 0.836 93.4-159.8 53.5 38.8 16.1 15.7 39.0 926 560 D E T < + 0 0 57 -3,-1.2 -1,-0.2 1,-0.3 3,-0.1 -0.175 68.3 7.3 -58.1 141.3 14.4 13.3 41.4 927 561 D N T 3 S+ 0 0 90 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.698 100.8 120.5 57.6 23.4 14.1 9.8 40.1 928 562 D R < - 0 0 50 -3,-1.9 -1,-0.2 -4,-0.2 2,-0.1 -0.955 61.3-127.1-113.0 138.5 16.2 10.6 37.1 929 563 D S > - 0 0 54 -2,-0.4 4,-2.3 -3,-0.1 3,-0.2 -0.307 27.0-103.2 -75.7 165.7 19.5 8.6 36.6 930 564 D N H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.877 123.7 49.8 -57.8 -38.2 22.9 10.3 36.1 931 565 D S H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.824 109.2 51.4 -73.2 -30.4 22.8 9.5 32.3 932 566 D E H > S+ 0 0 57 2,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.909 110.4 49.2 -69.0 -39.6 19.2 11.0 32.0 933 567 D V H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.933 111.4 48.1 -64.3 -45.8 20.4 14.2 33.8 934 568 D V H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.888 112.9 50.3 -58.4 -42.7 23.5 14.5 31.5 935 569 D E H X S+ 0 0 49 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.954 112.4 46.3 -62.3 -47.9 21.1 14.0 28.5 936 570 D D H <>S+ 0 0 22 -4,-2.8 5,-2.0 1,-0.2 4,-0.3 0.941 115.5 45.0 -64.1 -44.4 18.7 16.7 29.7 937 571 D I H ><5S+ 0 0 8 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.914 113.4 49.9 -65.0 -41.3 21.4 19.2 30.4 938 572 D S H 3<5S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.715 108.0 53.0 -71.5 -26.7 23.2 18.5 27.1 939 573 D T T 3<5S- 0 0 11 -4,-1.8 -239,-0.3 -5,-0.2 -1,-0.3 0.458 123.4-107.9 -84.9 -0.6 20.0 18.9 25.2 940 574 D G T < 5 + 0 0 12 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.481 69.2 143.4 91.7 3.4 19.5 22.4 26.9 941 575 D F < - 0 0 20 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.3 -0.435 30.0-162.5 -71.6 149.5 16.7 21.6 29.3 942 576 D R B -Y 698 0G 20 -244,-1.3 -244,-1.9 -2,-0.1 16,-0.1 -0.978 30.5 -79.3-135.4 150.8 16.8 23.2 32.8 943 577 D L - 0 0 0 -2,-0.3 -245,-0.2 -246,-0.2 -247,-0.1 -0.011 52.8-106.1 -47.1 142.2 15.0 22.5 36.1 944 578 D Y - 0 0 15 -249,-0.3 -247,-0.1 1,-0.1 -1,-0.1 -0.263 42.0 -92.0 -66.7 162.3 11.4 23.8 36.4 945 579 D K - 0 0 33 2,-0.0 -1,-0.1 1,-0.0 6,-0.1 -0.682 35.1-125.7 -83.4 119.9 10.6 26.8 38.6 946 580 D P > - 0 0 5 0, 0.0 3,-1.6 0, 0.0 -27,-0.1 -0.383 24.1-120.6 -60.5 142.8 9.7 26.1 42.2 947 581 D R T 3 S+ 0 0 137 1,-0.3 -28,-0.1 -254,-0.1 -2,-0.0 0.822 111.9 54.7 -58.8 -31.8 6.4 27.8 43.0 948 582 D L T 3 S+ 0 0 62 -30,-0.5 2,-0.6 2,-0.1 -1,-0.3 0.606 92.3 88.8 -80.5 -8.3 7.8 29.9 45.8 949 583 D A S < S- 0 0 1 -3,-1.6 -34,-0.0 -31,-0.1 -4,-0.0 -0.795 74.4-138.8 -88.6 121.7 10.5 31.3 43.4 950 584 D S > - 0 0 53 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.182 30.3-101.3 -65.7 169.2 9.5 34.5 41.4 951 585 D T H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 124.8 54.6 -59.2 -41.0 10.4 34.9 37.8 952 586 D H H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.926 108.5 46.4 -60.4 -48.4 13.2 37.1 38.8 953 587 D V H > S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 112.9 51.5 -58.3 -41.0 14.7 34.5 41.2 954 588 D Y H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.858 104.0 57.3 -69.6 -32.4 14.3 31.9 38.4 955 589 D Q H X S+ 0 0 42 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.916 107.4 48.6 -59.7 -42.2 16.1 34.1 35.9 956 590 D I H X S+ 0 0 8 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.898 107.5 53.9 -67.7 -41.7 19.1 34.2 38.3 957 591 D M H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.940 110.1 48.9 -54.3 -48.2 19.0 30.4 38.6 958 592 D N H < S+ 0 0 15 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.854 105.0 56.6 -61.7 -34.8 19.1 30.2 34.8 959 593 D H H >< S+ 0 0 72 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.873 105.8 53.2 -60.5 -38.3 22.1 32.7 34.7 960 594 D C H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.739 107.4 52.9 -68.4 -23.5 23.9 30.2 37.0 961 595 D W T 3< S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.031 71.5 139.7-103.6 24.0 23.1 27.3 34.5 962 596 D K < - 0 0 100 -3,-1.1 6,-0.1 1,-0.1 5,-0.1 -0.466 59.7-125.3 -64.1 141.6 24.5 28.9 31.3 963 597 D E S S+ 0 0 131 -2,-0.1 -69,-0.3 4,-0.1 -1,-0.1 0.866 95.1 60.4 -59.4 -40.4 26.3 26.1 29.4 964 598 D R S > S- 0 0 121 1,-0.1 3,-1.7 -71,-0.1 4,-0.5 -0.798 77.7-142.4 -94.9 127.1 29.6 28.1 29.1 965 599 D P G > S+ 0 0 26 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.884 100.8 61.0 -54.0 -42.5 31.2 29.1 32.4 966 600 D E G 3 S+ 0 0 117 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.766 100.6 57.0 -57.7 -23.9 32.3 32.5 31.0 967 601 D D G < S+ 0 0 86 -3,-1.7 -1,-0.3 2,-0.1 -4,-0.1 0.603 90.3 89.1 -83.7 -10.4 28.5 33.3 30.6 968 602 D R S < S- 0 0 3 -3,-2.1 -8,-0.2 -4,-0.5 2,-0.1 -0.629 83.6-113.4 -85.6 147.2 27.8 32.7 34.2 969 603 D P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.437 29.7-108.8 -75.7 154.3 28.0 35.6 36.6 970 604 D A >> - 0 0 25 -2,-0.1 4,-3.3 1,-0.1 3,-0.6 -0.439 27.9-113.2 -71.3 152.0 30.6 35.7 39.4 971 605 D F H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -118,-0.2 0.897 119.8 60.2 -54.0 -37.5 29.5 35.3 43.1 972 606 D S H 3> S+ 0 0 57 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.881 111.6 38.0 -57.7 -40.0 30.5 38.9 43.6 973 607 D R H X> S+ 0 0 151 -3,-0.6 4,-2.2 2,-0.2 3,-0.6 0.920 113.2 56.3 -76.9 -44.5 27.9 39.9 40.9 974 608 D L H 3X S+ 0 0 0 -4,-3.3 4,-3.2 1,-0.2 5,-0.3 0.883 100.4 60.9 -48.9 -44.0 25.3 37.3 42.0 975 609 D L H 3X S+ 0 0 26 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.901 108.4 40.9 -55.2 -44.5 25.4 38.8 45.5 976 610 D R H X S+ 0 0 142 -4,-2.1 4,-0.9 1,-0.2 3,-0.8 0.857 105.3 52.9 -67.8 -38.4 18.4 43.9 44.4 981 615 D I H 3< S+ 0 0 29 -4,-1.5 3,-0.4 -3,-0.3 -1,-0.2 0.858 97.0 66.1 -64.2 -37.3 15.5 41.4 44.1 982 616 D A T 3< S+ 0 0 62 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.731 99.2 54.7 -56.2 -24.3 15.1 41.5 47.9 983 617 D E T <4 0 0 88 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.877 360.0 360.0 -73.9 -39.7 14.0 45.1 47.4 984 618 D S < 0 0 136 -4,-0.9 -3,-0.1 -3,-0.4 -4,-0.0 0.526 360.0 360.0-107.8 360.0 11.3 44.1 44.8