==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-OCT-12 4HCV . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAN,N.CASPERS . 263 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 68.8 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 . 40 15.2 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 . 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 . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 0 1 1 0 0 2 0 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 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 1 356 A W 0 0 101 0, 0.0 68,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -12.4 -13.6 11.9 20.9 2 357 A V B -a 69 0A 69 66,-0.2 2,-0.5 68,-0.1 68,-0.2 -0.808 360.0-155.1 -92.5 123.2 -12.7 15.2 22.6 3 358 A I - 0 0 4 66,-2.8 69,-0.4 -2,-0.5 68,-0.3 -0.899 13.0-131.0-103.4 126.1 -10.9 14.6 26.0 4 359 A D > - 0 0 55 -2,-0.5 3,-2.5 1,-0.1 4,-0.1 -0.520 20.7-125.5 -67.9 138.8 -11.1 17.3 28.6 5 360 A P G > S+ 0 0 25 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.806 109.9 66.0 -58.1 -28.0 -7.6 18.1 30.0 6 361 A S G 3 S+ 0 0 96 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.612 92.0 64.8 -67.0 -11.9 -8.9 17.4 33.6 7 362 A E G < S+ 0 0 67 -3,-2.5 21,-2.8 20,-0.1 2,-0.4 0.385 94.9 73.0 -90.9 2.6 -9.3 13.8 32.4 8 363 A L E < -B 27 0A 14 -3,-1.7 2,-0.4 19,-0.2 19,-0.2 -0.945 55.5-170.4-123.4 142.0 -5.6 13.3 31.9 9 364 A T E -B 26 0A 87 17,-2.3 17,-2.1 -2,-0.4 2,-0.5 -0.993 14.7-146.8-125.9 136.4 -2.7 12.9 34.3 10 365 A F E +B 25 0A 90 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.912 24.6 165.0-102.7 127.2 1.0 12.9 33.1 11 366 A V E + 0 0 86 13,-2.6 2,-0.3 -2,-0.5 14,-0.2 0.824 58.5 0.4-107.7 -53.5 3.3 10.7 35.1 12 367 A Q E -B 24 0A 115 12,-1.7 12,-3.1 0, 0.0 -1,-0.3 -0.976 61.8-121.1-146.9 136.2 6.6 10.2 33.3 13 368 A E E +B 23 0A 92 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.525 30.1 172.7 -74.1 133.1 8.2 11.3 30.0 14 369 A I E + 0 0 82 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.556 59.8 1.5-115.9 -18.1 9.1 8.3 27.9 15 370 A G E -B 22 0A 29 7,-1.6 7,-3.2 2,-0.0 -1,-0.4 -0.975 52.8-173.8-165.8 156.6 10.2 9.9 24.6 16 371 A S E +B 21 0A 87 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.986 19.7 132.2-152.3 152.7 10.7 13.2 22.7 17 372 A G E > -B 20 0A 38 3,-2.4 3,-0.9 -2,-0.3 2,-0.4 -0.893 61.4 -27.9-168.2-160.2 11.6 14.3 19.3 18 373 A Q T 3 S+ 0 0 147 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.663 128.3 26.7 -73.2 124.1 10.9 16.5 16.3 19 374 A F T 3 S- 0 0 53 -2,-0.4 20,-2.2 21,-0.1 2,-0.3 -0.117 122.9 -61.0 108.5 -23.0 7.2 17.2 16.7 20 375 A G E < -BC 17 38A 2 -3,-0.9 -3,-2.4 18,-0.2 2,-0.3 -0.990 57.7 -54.8 154.0-164.1 6.7 16.7 20.5 21 376 A L E -BC 16 37A 61 16,-1.7 16,-2.6 -2,-0.3 2,-0.4 -0.863 28.0-147.3-119.7 150.9 6.9 14.7 23.6 22 377 A V E -BC 15 36A 40 -7,-3.2 -8,-3.0 -2,-0.3 -7,-1.6 -0.981 18.9-174.1-120.8 129.3 5.4 11.4 24.7 23 378 A H E -BC 13 35A 39 12,-2.5 12,-2.8 -2,-0.4 2,-0.4 -0.911 27.1-127.6-117.9 149.5 4.4 10.7 28.4 24 379 A L E +BC 12 34A 26 -12,-3.1 -13,-2.6 -2,-0.3 -12,-1.7 -0.767 54.9 140.1 -82.4 135.0 3.1 7.7 30.2 25 380 A G E -BC 10 33A 0 8,-2.5 8,-2.6 -2,-0.4 2,-0.3 -0.874 46.5 -97.3-157.9-168.0 -0.1 8.8 31.9 26 381 A Y E -BC 9 32A 120 -17,-2.1 -17,-2.3 -2,-0.3 2,-0.5 -0.948 16.5-149.1-129.0 145.8 -3.6 8.0 32.9 27 382 A W E >> -BC 8 31A 39 4,-2.5 3,-2.0 -2,-0.3 4,-0.8 -0.983 40.6 -97.5-116.2 124.3 -7.0 8.7 31.3 28 383 A L T 34 S- 0 0 93 -21,-2.8 -21,-0.1 -2,-0.5 3,-0.0 -0.118 97.7 -9.2 -46.7 125.6 -9.9 9.1 33.7 29 384 A N T 34 S+ 0 0 152 1,-0.2 -1,-0.3 0, 0.0 -22,-0.0 0.517 129.8 68.5 61.9 15.6 -12.1 5.9 34.1 30 385 A K T <4 S- 0 0 143 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.645 92.2 -82.1-122.9 -83.8 -10.3 4.3 31.3 31 386 A D E < -C 27 0A 104 -4,-0.8 -4,-2.5 -3,-0.0 -1,-0.2 -0.962 51.1 -49.7-170.6-177.4 -6.6 3.1 31.5 32 387 A K E -C 26 0A 73 -2,-0.3 50,-0.7 -6,-0.2 2,-0.3 -0.522 62.9-177.6 -67.3 142.6 -2.9 3.9 31.3 33 388 A V E -CD 25 81A 0 -8,-2.6 -8,-2.5 -2,-0.2 2,-0.5 -0.928 33.0-120.3-140.0 165.9 -2.2 5.7 28.1 34 389 A A E -CD 24 80A 14 46,-2.4 46,-3.1 -2,-0.3 2,-0.5 -0.946 32.5-159.0-104.5 129.0 0.6 7.2 26.0 35 390 A I E -CD 23 79A 0 -12,-2.8 -12,-2.5 -2,-0.5 2,-0.6 -0.952 5.0-158.1-115.5 124.1 0.0 11.0 25.6 36 391 A K E -CD 22 78A 53 42,-2.9 42,-2.5 -2,-0.5 2,-0.5 -0.887 5.0-157.6 -99.5 122.7 1.7 12.9 22.8 37 392 A T E -CD 21 77A 24 -16,-2.6 -16,-1.7 -2,-0.6 2,-0.5 -0.886 17.0-137.5 -98.9 130.1 2.0 16.6 23.3 38 393 A I E -C 20 0A 10 38,-2.4 38,-0.3 -2,-0.5 -18,-0.2 -0.764 9.0-129.9 -96.1 126.1 2.3 18.5 19.9 39 394 A R > - 0 0 117 -20,-2.2 3,-1.9 -2,-0.5 4,-0.5 -0.399 40.4 -92.6 -67.7 141.4 4.8 21.4 19.5 40 395 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -21,-0.1 -0.339 110.4 14.1 -58.4 132.8 3.3 24.6 18.0 41 396 A G T 3 S+ 0 0 51 2,-0.3 -1,-0.3 -3,-0.1 112,-0.1 0.336 97.3 102.9 82.6 -3.5 3.7 24.6 14.2 42 397 A A S < S+ 0 0 14 -3,-1.9 111,-2.2 -23,-0.2 112,-0.5 0.801 86.6 21.4 -78.9 -31.5 4.6 20.9 13.9 43 398 A M B S-F 152 0B 17 -4,-0.5 2,-1.3 109,-0.2 -2,-0.3 -0.949 78.4-110.6-135.8 158.2 1.2 19.8 12.6 44 399 A S > - 0 0 21 107,-2.2 4,-2.0 -2,-0.3 5,-0.1 -0.760 37.6-176.5 -84.3 95.5 -1.9 21.2 10.9 45 400 A E H > S+ 0 0 32 -2,-1.3 4,-3.0 1,-0.2 -1,-0.2 0.915 78.5 54.1 -63.0 -41.0 -4.1 20.8 14.0 46 401 A E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 108.8 47.8 -61.8 -42.0 -7.2 21.9 12.2 47 402 A D H > S+ 0 0 74 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.899 114.3 48.1 -65.3 -40.8 -6.7 19.3 9.4 48 403 A F H >X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-1.2 0.957 107.6 53.5 -63.7 -47.0 -6.2 16.6 12.0 49 404 A I H 3X S+ 0 0 38 -4,-3.0 4,-0.5 1,-0.3 -1,-0.2 0.841 106.5 55.0 -56.5 -36.1 -9.3 17.7 14.1 50 405 A E H 3< S+ 0 0 142 -4,-1.7 -1,-0.3 1,-0.2 4,-0.2 0.781 117.5 34.6 -62.6 -37.9 -11.4 17.3 10.8 51 406 A E H S+ 0 0 85 1,-0.2 4,-1.2 -4,-0.2 3,-0.3 0.908 112.0 51.6 -59.4 -47.2 -12.8 8.7 11.3 55 410 A M H < S+ 0 0 16 -4,-2.0 11,-0.3 1,-0.2 -1,-0.2 0.779 110.3 49.8 -59.8 -32.7 -9.3 7.8 12.6 56 411 A M H < S+ 0 0 40 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.786 104.2 56.9 -79.5 -28.0 -10.8 6.8 16.0 57 412 A K H < S+ 0 0 132 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.734 84.3 95.9 -74.9 -24.2 -13.5 4.7 14.5 58 413 A L < + 0 0 24 -4,-1.2 2,-0.3 2,-0.0 8,-0.2 -0.494 58.8 173.5 -64.0 129.7 -10.8 2.6 12.7 59 414 A S + 0 0 75 -2,-0.2 5,-0.1 6,-0.1 -2,-0.0 -0.954 14.4 143.0-150.2 125.5 -10.3 -0.4 15.1 60 415 A H > - 0 0 51 3,-0.4 3,-2.3 -2,-0.3 54,-0.0 -0.945 52.8-118.4-156.3 143.8 -8.3 -3.5 14.7 61 416 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.690 115.1 53.2 -60.2 -17.1 -6.3 -5.5 17.3 62 417 A K T 3 S+ 0 0 35 80,-0.1 81,-2.9 51,-0.1 2,-0.4 0.243 96.0 81.4-103.2 15.2 -3.1 -4.9 15.2 63 418 A L B < S-g 143 0C 4 -3,-2.3 2,-0.4 79,-0.3 -3,-0.4 -0.975 84.5-119.4-119.0 132.8 -3.5 -1.1 15.1 64 419 A V - 0 0 10 79,-2.6 2,-0.3 -2,-0.4 81,-0.2 -0.539 41.0-122.9 -66.5 125.1 -2.5 1.2 18.0 65 420 A Q - 0 0 27 -2,-0.4 16,-2.4 -4,-0.1 2,-0.6 -0.515 10.0-144.9 -79.3 132.9 -5.7 2.9 19.0 66 421 A L E - E 0 80A 7 -11,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.862 17.7-174.4 -87.2 116.9 -6.2 6.7 19.1 67 422 A Y E - 0 0 61 12,-3.1 2,-0.3 -2,-0.6 13,-0.2 0.695 52.2 -58.6 -89.1 -24.4 -8.5 7.2 22.1 68 423 A G E - E 0 79A 0 11,-1.1 11,-2.7 -65,-0.0 2,-0.4 -0.951 45.6 -93.1 163.3-179.0 -9.1 10.9 21.7 69 424 A V E -aE 2 78A 0 -68,-2.4 -66,-2.8 -2,-0.3 2,-0.8 -0.986 15.0-150.4-131.0 131.9 -7.8 14.5 21.4 70 425 A C E + E 0 77A 7 7,-3.1 7,-2.2 -2,-0.4 -66,-0.1 -0.907 36.0 151.0-103.2 105.4 -7.3 17.1 24.1 71 426 A L + 0 0 52 -2,-0.8 -1,-0.1 -68,-0.3 5,-0.1 0.363 35.6 99.5-120.9 2.2 -7.8 20.4 22.2 72 427 A E S S+ 0 0 120 -69,-0.4 2,-0.3 3,-0.1 -1,-0.1 0.591 92.8 25.1 -64.7 -20.4 -9.3 22.9 24.7 73 428 A Q S S- 0 0 118 2,-0.2 -1,-0.0 -3,-0.1 -3,-0.0 -0.984 95.8 -75.9-146.9 151.8 -5.8 24.5 25.3 74 429 A A S S+ 0 0 76 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.784 106.0 48.1 -90.7 135.6 -2.5 24.9 23.4 75 430 A P S S- 0 0 66 0, 0.0 -2,-0.2 0, 0.0 -36,-0.1 0.536 89.1-141.4 -76.6 153.0 -0.5 22.7 23.1 76 431 A I - 0 0 6 -38,-0.3 -38,-2.4 -2,-0.1 2,-0.4 -0.408 12.1-148.3 -78.6 162.1 -2.9 20.0 21.9 77 432 A C E -DE 37 70A 10 -7,-2.2 -7,-3.1 -40,-0.2 2,-0.4 -0.985 6.0-152.8-131.2 144.4 -2.5 16.3 23.1 78 433 A L E -DE 36 69A 3 -42,-2.5 -42,-2.9 -2,-0.4 2,-0.5 -0.936 15.8-146.7-116.0 134.2 -3.3 13.0 21.4 79 434 A V E +DE 35 68A 0 -11,-2.7 -12,-3.1 -2,-0.4 -11,-1.1 -0.905 21.4 179.9-110.6 125.8 -4.1 10.1 23.6 80 435 A F E -DE 34 66A 38 -46,-3.1 -46,-2.4 -2,-0.5 -14,-0.2 -0.850 38.4 -89.1-125.7 157.0 -3.1 6.5 22.6 81 436 A E E -D 33 0A 36 -16,-2.4 2,-0.5 -2,-0.3 -48,-0.2 -0.385 54.2-114.1 -53.2 129.4 -3.3 3.0 23.7 82 437 A F - 0 0 53 -50,-0.7 2,-0.7 -2,-0.1 -1,-0.1 -0.649 23.9-156.2 -78.4 127.5 -0.1 2.4 25.8 83 438 A M > - 0 0 13 -2,-0.5 3,-1.7 1,-0.1 52,-0.2 -0.896 6.8-152.2-107.4 104.4 2.3 -0.1 24.2 84 439 A E T 3 S+ 0 0 105 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.726 87.7 43.4 -51.2 -34.1 4.4 -1.6 27.0 85 440 A H T 3 S- 0 0 88 50,-2.5 -1,-0.3 1,-0.3 51,-0.2 0.350 98.0-139.5-103.6 14.2 7.5 -2.4 25.0 86 441 A G < - 0 0 29 -3,-1.7 49,-3.2 49,-0.4 -1,-0.3 -0.300 52.5 -4.8 69.0-158.8 7.9 0.7 22.9 87 442 A C B > -H 134 0C 30 47,-0.2 4,-2.1 1,-0.1 47,-0.3 -0.478 57.3-129.7 -76.8 148.7 8.8 0.9 19.3 88 443 A L H > S+ 0 0 0 45,-2.9 4,-2.6 42,-0.7 5,-0.2 0.851 103.5 61.2 -63.5 -39.7 9.9 -2.1 17.3 89 444 A S H > S+ 0 0 5 41,-1.0 4,-2.2 44,-0.3 -1,-0.2 0.947 112.6 36.6 -54.2 -49.0 13.0 -0.5 16.0 90 445 A D H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.845 113.0 58.5 -73.9 -33.4 14.5 -0.0 19.4 91 446 A Y H X S+ 0 0 27 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.922 111.0 43.0 -60.6 -42.7 13.1 -3.3 20.7 92 447 A L H < S+ 0 0 0 -4,-2.6 3,-0.5 2,-0.2 -2,-0.2 0.943 115.3 48.4 -68.6 -48.3 15.0 -5.2 17.9 93 448 A R H >< S+ 0 0 77 -4,-2.2 3,-0.9 -5,-0.2 -2,-0.2 0.881 112.5 47.2 -60.0 -42.9 18.2 -3.2 18.4 94 449 A T H 3< S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.696 120.2 38.6 -74.3 -19.6 18.4 -3.6 22.2 95 450 A Q T >< S+ 0 0 58 -4,-1.0 3,-2.3 -3,-0.5 -1,-0.2 0.059 79.6 155.5-119.3 22.0 17.7 -7.3 22.1 96 451 A R T < + 0 0 115 -3,-0.9 -3,-0.1 1,-0.3 103,-0.0 -0.244 69.4 26.5 -51.7 130.8 19.8 -8.2 19.0 97 452 A G T 3 S+ 0 0 58 2,-0.1 -1,-0.3 -5,-0.0 -5,-0.0 0.314 100.9 88.6 94.6 -9.0 20.8 -11.8 19.1 98 453 A L < + 0 0 134 -3,-2.3 2,-0.5 -6,-0.2 -2,-0.1 0.092 67.8 95.5-108.4 23.7 17.7 -12.9 21.3 99 454 A F - 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0 0 78 -4,-0.1 3,-0.9 -2,-0.0 2,-0.1 -0.742 34.1-119.4 -83.7 124.4 19.0 1.0 9.3 203 558 A P T 3 S+ 0 0 1 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.472 94.6 5.9 -65.2 138.0 18.1 0.4 5.6 204 559 A Y T > S- 0 0 14 1,-0.1 3,-2.1 -2,-0.1 8,-0.1 0.942 91.5-156.5 54.2 48.3 20.6 2.0 3.2 205 560 A E T < S+ 0 0 106 -3,-0.9 -1,-0.1 1,-0.3 3,-0.1 -0.342 72.1 8.8 -56.1 134.0 22.8 3.0 6.1 206 561 A N T 3 S+ 0 0 161 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.525 95.5 126.5 68.6 11.5 25.0 5.9 5.1 207 562 A R < - 0 0 119 -3,-2.1 -1,-0.2 -4,-0.2 2,-0.1 -0.829 56.2-130.9-100.0 136.0 23.2 6.6 1.7 208 563 A S > - 0 0 56 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.355 29.4-103.0 -73.4 166.2 22.0 10.1 1.1 209 564 A N H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 124.9 50.3 -57.9 -42.3 18.4 10.7 -0.1 210 565 A S H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.893 110.1 49.8 -62.6 -40.4 19.8 11.4 -3.6 211 566 A E H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.891 108.4 52.4 -64.9 -41.4 21.9 8.2 -3.6 212 567 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.956 110.3 49.0 -62.1 -46.0 18.9 6.0 -2.4 213 568 A V H X S+ 0 0 46 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.922 114.7 44.0 -57.5 -47.3 16.8 7.4 -5.4 214 569 A E H X S+ 0 0 129 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.918 115.0 48.4 -66.0 -43.6 19.6 6.7 -7.9 215 570 A D H ><>S+ 0 0 40 -4,-2.8 5,-2.6 2,-0.2 3,-0.8 0.948 114.6 44.4 -62.3 -49.6 20.4 3.2 -6.5 216 571 A I H ><5S+ 0 0 2 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.908 111.1 54.3 -63.4 -44.1 16.7 2.1 -6.4 217 572 A S H 3<5S+ 0 0 57 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.726 109.1 49.2 -62.3 -22.9 16.0 3.5 -9.9 218 573 A T T <<5S- 0 0 120 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.246 128.2 -93.4-102.1 10.9 19.0 1.5 -11.3 219 574 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.401 71.6 148.7 98.4 -0.9 17.9 -1.8 -9.7 220 575 A F < - 0 0 94 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.422 21.7-177.7 -64.4 144.2 19.8 -1.9 -6.4 221 576 A R - 0 0 48 -2,-0.1 16,-0.0 0, 0.0 -5,-0.0 -0.978 34.6 -84.8-140.7 152.7 17.9 -3.7 -3.6 222 577 A L - 0 0 3 -2,-0.3 2,-0.0 1,-0.1 15,-0.0 -0.201 51.3-109.6 -54.0 140.4 18.7 -4.4 0.1 223 578 A Y - 0 0 100 1,-0.1 -1,-0.1 -29,-0.0 0, 0.0 -0.262 39.1 -88.6 -70.1 160.0 20.8 -7.5 0.8 224 579 A K - 0 0 103 1,-0.0 -1,-0.1 2,-0.0 6,-0.0 -0.570 42.2-129.3 -71.2 119.3 19.4 -10.7 2.4 225 580 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 -27,-0.1 -0.399 20.7-115.6 -65.3 148.8 19.7 -10.5 6.2 226 581 A R T 3 S+ 0 0 195 1,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 0.845 114.4 50.1 -50.0 -43.8 21.3 -13.6 7.8 227 582 A L T 3 S+ 0 0 32 -30,-0.7 2,-0.5 2,-0.0 -1,-0.3 0.554 89.2 95.9 -79.7 -7.6 18.1 -14.5 9.6 228 583 A A < - 0 0 4 -3,-1.6 -127,-0.0 -31,-0.1 -34,-0.0 -0.717 69.9-138.4 -86.1 125.4 15.8 -14.3 6.5 229 584 A S > - 0 0 57 -2,-0.5 4,-2.8 1,-0.1 5,-0.3 -0.203 30.9 -99.4 -70.2 171.2 15.2 -17.6 4.8 230 585 A T H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.927 126.9 49.4 -55.9 -44.6 15.3 -18.0 1.0 231 586 A H H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.885 110.7 49.6 -63.6 -40.7 11.4 -17.8 1.1 232 587 A V H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.937 111.6 47.6 -67.0 -43.9 11.4 -14.7 3.3 233 588 A Y H X S+ 0 0 52 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.854 107.5 56.9 -65.8 -31.5 13.9 -12.8 1.1 234 589 A Q H X S+ 0 0 99 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.940 107.7 48.2 -64.3 -42.7 11.9 -13.8 -2.0 235 590 A I H X S+ 0 0 6 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.924 108.8 53.7 -62.4 -44.4 8.8 -12.1 -0.4 236 591 A M H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.4 0.919 109.0 49.6 -53.3 -48.1 10.8 -9.0 0.5 237 592 A N H >< S+ 0 0 48 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.836 104.5 57.5 -64.9 -32.1 11.9 -8.7 -3.2 238 593 A H H >< S+ 0 0 33 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.860 102.9 54.8 -65.0 -30.8 8.3 -9.1 -4.4 239 594 A C H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.739 105.1 56.7 -69.4 -26.3 7.5 -6.0 -2.3 240 595 A W T << S+ 0 0 1 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.044 70.9 138.2 -97.0 25.6 10.2 -4.1 -4.1 241 596 A R < - 0 0 102 -3,-1.1 6,-0.1 1,-0.1 -54,-0.1 -0.475 58.9-128.0 -68.5 139.9 9.0 -4.5 -7.7 242 597 A E S S+ 0 0 110 -2,-0.2 -69,-0.3 4,-0.1 -1,-0.1 0.903 94.5 60.4 -54.6 -47.1 9.4 -1.3 -9.6 243 598 A R S > S- 0 0 129 1,-0.1 3,-1.6 -71,-0.1 4,-0.5 -0.732 77.1-144.0 -85.2 128.3 5.8 -1.3 -10.8 244 599 A P G > S+ 0 0 28 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.863 100.6 63.6 -61.0 -31.5 3.2 -1.1 -8.0 245 600 A E G 3 S+ 0 0 124 1,-0.3 4,-0.1 -3,-0.0 -3,-0.0 0.780 100.7 52.1 -59.7 -28.6 0.9 -3.4 -10.2 246 601 A D G < S+ 0 0 75 -3,-1.6 -1,-0.3 2,-0.1 -4,-0.1 0.525 91.7 92.2 -86.8 -11.5 3.5 -6.2 -9.9 247 602 A R S < S- 0 0 5 -3,-1.5 -8,-0.2 -4,-0.5 2,-0.1 -0.635 85.1-108.2 -80.7 148.3 3.7 -6.0 -6.1 248 603 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.417 30.4-118.0 -72.1 147.6 1.5 -8.3 -4.0 249 604 A A > - 0 0 24 1,-0.1 4,-2.8 -2,-0.1 3,-0.4 -0.420 30.1-107.3 -70.4 163.7 -1.5 -6.8 -2.2 250 605 A F H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -134,-0.2 0.815 121.7 61.3 -63.1 -27.3 -1.4 -7.1 1.6 251 606 A S H > S+ 0 0 79 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.915 110.1 40.3 -62.6 -39.8 -4.2 -9.7 1.3 252 607 A R H > S+ 0 0 122 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.922 114.6 51.7 -73.0 -46.8 -1.8 -11.9 -0.8 253 608 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.863 105.8 56.1 -57.0 -41.8 1.2 -11.1 1.4 254 609 A L H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.929 111.8 41.8 -60.0 -44.6 -0.8 -12.1 4.5 255 610 A R H X S+ 0 0 117 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.927 115.3 50.9 -67.7 -43.1 -1.6 -15.6 3.1 256 611 A Q H X S+ 0 0 28 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.910 113.7 43.5 -61.0 -45.1 2.0 -16.0 1.7 257 612 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.909 113.0 52.0 -68.5 -39.5 3.7 -15.2 5.0 258 613 A A H X S+ 0 0 23 -4,-2.2 4,-3.1 -5,-0.3 -2,-0.2 0.908 108.7 51.6 -61.2 -40.1 1.2 -17.3 7.0 259 614 A E H X S+ 0 0 99 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.934 111.2 47.6 -63.0 -41.4 1.9 -20.3 4.6 260 615 A I H < S+ 0 0 44 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.916 115.5 44.8 -64.4 -44.0 5.7 -19.8 5.2 261 616 A A H < S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.904 113.3 48.4 -66.2 -43.5 5.2 -19.5 9.0 262 617 A E H < 0 0 157 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.644 360.0 360.0 -72.4 -17.7 2.8 -22.5 9.3 263 618 A S < 0 0 144 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.0 -0.778 360.0 360.0 87.9 360.0 5.3 -24.5 7.1