==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 25-JAN-11 3QGY . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.BROWN,G.M.T.CHEETHAM . 491 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 15.5 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 . 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 . 32 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 31.4 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 0 2 2 0 2 2 2 1 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 2 2 0 0 4 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 2 0 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 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 H 0 0 61 0, 0.0 69,-0.3 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 15.0 4.8 -4.2 -4.2 2 356 A M - 0 0 110 67,-0.1 68,-0.0 52,-0.1 0, 0.0 0.391 360.0 -1.2 -7.0 87.0 7.0 -2.6 -6.9 3 357 A V - 0 0 85 66,-0.1 67,-1.6 1,-0.1 2,-0.5 0.833 67.9-147.5 84.6 104.7 8.3 -5.6 -8.8 4 358 A I B -a 70 0A 71 65,-0.2 67,-0.2 67,-0.1 -1,-0.1 -0.863 14.2-144.9-102.8 131.3 7.5 -9.2 -7.9 5 359 A D - 0 0 1 65,-3.8 68,-0.4 -2,-0.5 67,-0.3 -0.783 15.5-176.2 -98.4 135.8 10.1 -11.9 -8.6 6 360 A P - 0 0 51 0, 0.0 -1,-0.2 0, 0.0 67,-0.1 0.910 68.5 -44.8 -90.0 -78.9 9.4 -15.5 -9.7 7 361 A S S S+ 0 0 101 3,-0.0 64,-0.0 64,-0.0 -2,-0.0 -0.178 91.7 118.9-156.3 45.1 12.5 -17.7 -10.0 8 362 A E + 0 0 76 2,-0.0 21,-3.2 21,-0.0 22,-0.5 0.041 59.6 109.3 -98.2 19.4 15.0 -15.6 -11.8 9 363 A L E -B 28 0A 21 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.835 56.2-161.1-105.4 134.3 16.9 -16.1 -8.6 10 364 A T E -B 27 0A 61 17,-2.6 17,-1.7 -2,-0.4 2,-0.7 -0.963 13.0-149.7-113.0 115.2 20.0 -18.2 -8.2 11 365 A F E +B 26 0A 95 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.806 21.6 172.4 -88.3 116.3 20.7 -19.2 -4.5 12 366 A V E - 0 0 61 13,-2.4 2,-0.3 -2,-0.7 14,-0.2 0.928 58.6 -24.3 -88.8 -55.3 24.4 -19.5 -4.1 13 367 A Q E -B 25 0A 136 12,-1.3 12,-3.2 0, 0.0 -1,-0.3 -0.973 63.5-109.4-156.8 152.5 25.1 -20.0 -0.3 14 368 A E E +B 24 0A 102 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.618 27.5 176.9 -89.2 150.3 23.2 -19.1 2.9 15 369 A I E + 0 0 100 8,-3.5 2,-0.2 -2,-0.2 9,-0.2 0.333 58.9 17.9-129.0 -2.3 24.5 -16.4 5.2 16 370 A G E +B 23 0A 24 7,-0.9 7,-1.6 0, 0.0 2,-0.3 -0.970 54.3 172.4-158.8 167.6 22.1 -16.0 8.0 17 371 A S E +B 22 0A 93 5,-0.2 5,-0.2 -2,-0.2 2,-0.1 -0.981 16.9 141.0-171.5 178.3 19.1 -17.6 10.0 18 372 A G E > S-B 21 0A 44 3,-0.6 3,-0.9 -2,-0.3 -1,-0.0 0.128 75.5 -63.0 133.3 110.5 16.8 -17.5 12.9 19 373 A Q T 3 S+ 0 0 130 1,-0.3 -2,-0.1 20,-0.1 20,-0.1 0.231 123.5 68.9 -21.2 110.7 13.1 -18.4 12.7 20 374 A F T 3 S- 0 0 111 18,-0.1 20,-0.5 24,-0.0 2,-0.3 -0.302 116.3 -82.7 157.7 -34.3 11.9 -15.8 10.3 21 375 A G E < -BC 18 39A 7 -3,-0.9 -3,-0.6 18,-0.4 2,-0.3 -0.980 49.4 -63.6 148.2-161.6 13.8 -17.4 7.6 22 376 A L E -BC 17 38A 47 16,-0.8 16,-2.8 -2,-0.3 2,-0.4 -0.856 33.2-135.5-123.7 159.3 17.2 -17.8 6.0 23 377 A V E -BC 16 37A 34 -7,-1.6 -8,-3.5 -2,-0.3 -7,-0.9 -0.959 23.0-170.1-119.1 137.3 19.4 -15.4 4.2 24 378 A H E -BC 14 36A 32 12,-2.1 12,-3.3 -2,-0.4 2,-0.5 -0.963 26.6-132.9-130.4 144.2 21.2 -16.2 1.0 25 379 A L E +BC 13 35A 29 -12,-3.2 -13,-2.4 -2,-0.4 -12,-1.3 -0.796 53.6 149.1 -84.7 132.3 23.8 -14.7 -1.2 26 380 A G E -BC 11 34A 0 8,-3.5 8,-2.9 -2,-0.5 2,-0.3 -0.832 42.9-115.9-150.4-170.3 22.3 -15.0 -4.7 27 381 A Y E -BC 10 33A 80 -17,-1.7 -17,-2.6 6,-0.3 2,-0.5 -0.999 14.7-147.3-140.4 136.9 22.0 -13.6 -8.2 28 382 A W E >> S-BC 9 32A 44 4,-2.3 4,-2.0 -2,-0.3 3,-1.7 -0.909 87.3 -3.7-106.2 130.8 18.9 -12.3 -10.0 29 383 A L T 34 S- 0 0 82 -21,-3.2 -1,-0.2 -2,-0.5 -20,-0.1 0.865 120.7 -74.8 56.7 37.4 18.8 -12.8 -13.8 30 384 A N T 34 S+ 0 0 145 -22,-0.5 -1,-0.3 -3,-0.4 3,-0.1 0.701 130.5 65.6 51.3 23.5 22.3 -14.4 -13.6 31 385 A K T <4 S+ 0 0 146 -3,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.623 74.4 70.5-136.6 -57.4 23.7 -11.0 -13.2 32 386 A D E < -C 28 0A 28 -4,-2.0 -4,-2.3 1,-0.0 2,-0.3 -0.627 68.9-136.3 -82.8 121.6 22.8 -9.0 -10.1 33 387 A K E +C 27 0A 61 -2,-0.5 50,-1.4 -6,-0.2 2,-0.3 -0.558 38.4 168.8 -72.3 130.2 24.4 -10.1 -6.8 34 388 A V E -CD 26 82A 0 -8,-2.9 -8,-3.5 -2,-0.3 2,-0.6 -0.917 40.5-125.2-142.0 165.3 21.8 -10.0 -4.1 35 389 A A E -CD 25 81A 17 46,-1.3 46,-2.3 -2,-0.3 2,-0.6 -0.977 30.7-154.4-113.6 116.0 21.0 -11.1 -0.6 36 390 A I E -CD 24 80A 0 -12,-3.3 -12,-2.1 -2,-0.6 2,-0.7 -0.839 4.7-160.3 -98.7 116.4 17.8 -13.1 -0.6 37 391 A K E -CD 23 79A 89 42,-2.8 42,-2.6 -2,-0.6 2,-0.3 -0.847 12.6-171.5 -97.4 112.9 15.8 -13.1 2.7 38 392 A T E -CD 22 78A 18 -16,-2.8 -16,-0.8 -2,-0.7 2,-0.5 -0.767 15.7-132.7-101.7 149.8 13.4 -16.1 2.7 39 393 A I E -C 21 0A 24 38,-2.4 -18,-0.4 -2,-0.3 38,-0.3 -0.898 19.2-116.3-110.1 130.8 10.8 -16.5 5.4 40 394 A K > - 0 0 72 -20,-0.5 3,-1.4 -2,-0.5 4,-0.2 -0.380 45.3 -97.5 -60.1 130.3 10.1 -19.8 7.3 41 395 A E T 3 S+ 0 0 188 1,-0.3 -1,-0.1 2,-0.1 -20,-0.0 -0.250 109.6 9.8 -50.8 129.2 6.6 -21.0 6.5 42 396 A G T 3 S+ 0 0 76 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.850 97.5 109.8 66.6 35.8 4.3 -19.9 9.3 43 397 A S S < S+ 0 0 18 -3,-1.4 2,-0.3 1,-0.4 -2,-0.1 0.294 85.1 19.6-119.9 4.3 6.9 -17.7 10.9 44 398 A M S S- 0 0 47 -4,-0.2 -1,-0.4 -5,-0.1 -2,-0.3 -0.859 87.2-107.4-171.3 133.1 5.2 -14.4 10.0 45 399 A S > - 0 0 45 -2,-0.3 4,-1.9 -3,-0.1 3,-0.2 -0.287 32.8-118.0 -63.4 157.1 1.6 -13.7 9.1 46 400 A E H > S+ 0 0 89 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.873 114.0 52.6 -67.3 -37.9 1.1 -12.9 5.4 47 401 A D H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.791 107.3 53.9 -70.7 -21.4 -0.2 -9.4 6.1 48 402 A D H > S+ 0 0 75 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.929 112.1 43.2 -74.1 -44.8 2.9 -8.7 8.2 49 403 A F H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.961 118.0 46.5 -62.5 -50.3 5.3 -9.7 5.4 50 404 A I H X S+ 0 0 42 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.943 115.1 43.6 -58.0 -52.9 3.2 -7.8 2.9 51 405 A E H X S+ 0 0 117 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.805 114.9 52.2 -66.2 -24.7 2.8 -4.6 4.9 52 406 A E H X S+ 0 0 74 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.917 108.1 48.6 -75.5 -45.7 6.5 -4.8 5.9 53 407 A A H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.885 108.3 54.6 -62.3 -40.6 7.8 -5.1 2.3 54 408 A E H X S+ 0 0 79 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.864 108.0 50.4 -62.1 -37.0 5.7 -2.2 1.1 55 409 A V H >X S+ 0 0 62 -4,-1.0 4,-1.1 1,-0.2 3,-0.6 0.930 110.2 48.4 -67.0 -46.5 7.2 0.0 3.8 56 410 A M H 3< S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.762 112.8 48.6 -66.4 -25.5 10.7 -0.9 2.9 57 411 A M H 3< S+ 0 0 32 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.629 107.2 55.5 -88.3 -15.0 10.1 -0.3 -0.8 58 412 A K H << S+ 0 0 175 -4,-0.9 2,-0.4 -3,-0.6 -2,-0.2 0.685 96.0 80.2 -87.0 -22.4 8.5 3.1 -0.1 59 413 A L < + 0 0 23 -4,-1.1 2,-0.3 -5,-0.1 60,-0.0 -0.718 59.3 174.6 -90.5 133.9 11.6 4.2 1.7 60 414 A S + 0 0 74 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.894 12.0 138.3-147.5 115.4 14.5 5.4 -0.3 61 415 A H > - 0 0 45 -2,-0.3 3,-2.6 3,-0.3 54,-0.1 -0.991 55.4-117.8-152.4 144.6 17.9 7.0 0.7 62 416 A P T 3 S+ 0 0 95 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.742 118.5 48.2 -54.3 -22.8 21.5 6.5 -0.4 63 417 A K T 3 S+ 0 0 29 80,-0.1 81,-3.0 2,-0.1 2,-0.4 0.214 97.3 83.2-103.0 12.8 22.3 5.3 3.1 64 418 A L B < S-f 144 0B 2 -3,-2.6 -3,-0.3 79,-0.3 81,-0.2 -0.968 90.0-107.5-116.5 132.3 19.4 2.8 3.3 65 419 A V - 0 0 7 79,-2.0 2,-0.2 -2,-0.4 -2,-0.1 -0.326 38.3-129.3 -60.2 134.5 19.8 -0.6 1.8 66 420 A Q - 0 0 104 -4,-0.1 16,-2.8 -6,-0.1 2,-0.4 -0.596 8.7-139.5 -92.1 150.7 17.8 -1.1 -1.4 67 421 A L E - E 0 81A 36 14,-0.3 14,-0.3 -2,-0.2 3,-0.1 -0.843 6.3-161.3-106.5 137.1 15.4 -3.8 -2.4 68 422 A Y E - 0 0 83 12,-4.5 2,-0.3 -2,-0.4 13,-0.2 0.761 64.6 -78.1 -85.9 -28.4 15.3 -5.3 -5.9 69 423 A G E - E 0 80A 0 11,-1.3 11,-2.8 -64,-0.0 -1,-0.4 -0.983 47.4 -87.2 161.2-161.9 11.8 -6.7 -5.2 70 424 A V E -aE 4 79A 0 -67,-1.6 -65,-3.8 -69,-0.3 2,-0.5 -0.939 15.9-136.2-140.6 161.5 10.0 -9.5 -3.5 71 425 A C E + E 0 78A 8 7,-2.7 7,-2.2 -2,-0.3 4,-0.1 -0.986 38.9 144.1-118.9 122.6 8.9 -13.1 -4.2 72 426 A L + 0 0 42 -2,-0.5 5,-0.1 -67,-0.3 -1,-0.1 0.398 39.9 101.7-140.7 3.0 5.4 -13.9 -3.0 73 427 A E S S- 0 0 115 -68,-0.4 4,-0.1 3,-0.1 -2,-0.0 0.501 103.8-103.9 -65.0 -0.0 3.8 -16.3 -5.5 74 428 A Q S S+ 0 0 132 2,-0.1 -2,-0.1 4,-0.1 -1,-0.1 0.648 79.1 134.2 78.2 125.7 4.8 -18.6 -2.6 75 429 A A S S- 0 0 83 -4,-0.1 2,-0.1 -3,-0.0 -3,-0.1 0.453 109.3 -49.2 175.1 6.6 7.9 -20.9 -2.9 76 430 A P S S- 0 0 70 0, 0.0 -3,-0.1 0, 0.0 -36,-0.1 0.575 81.6 -96.8 -91.6-170.1 8.4 -19.7 0.0 77 431 A I + 0 0 26 -38,-0.3 -38,-2.4 -5,-0.1 2,-0.3 -0.267 50.1 165.3 -68.7 152.9 8.1 -15.9 0.4 78 432 A C E -DE 38 71A 3 -7,-2.2 -7,-2.7 -40,-0.3 2,-0.4 -0.993 33.2-128.5-163.4 165.5 11.2 -13.7 0.3 79 433 A L E -DE 37 70A 11 -42,-2.6 -42,-2.8 -2,-0.3 2,-0.6 -0.946 19.8-146.7-120.5 140.4 12.7 -10.3 -0.1 80 434 A V E -DE 36 69A 0 -11,-2.8 -12,-4.5 -2,-0.4 -11,-1.3 -0.880 21.4-179.9-115.3 102.4 15.5 -9.5 -2.6 81 435 A F E -DE 35 67A 24 -46,-2.3 -46,-1.3 -2,-0.6 -14,-0.3 -0.496 37.3 -95.7 -95.7 168.1 18.0 -6.8 -1.5 82 436 A E E -D 34 0A 37 -16,-2.8 2,-0.6 -48,-0.2 -48,-0.2 -0.482 52.3-104.9 -72.5 151.3 21.0 -5.4 -3.2 83 437 A F - 0 0 46 -50,-1.4 2,-0.9 -2,-0.1 -50,-0.1 -0.734 23.9-149.9 -89.8 123.3 24.1 -7.3 -2.0 84 438 A M > - 0 0 15 -2,-0.6 3,-1.7 1,-0.1 52,-0.2 -0.808 12.1-148.6 -92.4 104.2 26.3 -5.4 0.4 85 439 A E T 3 S+ 0 0 73 -2,-0.9 52,-0.2 1,-0.3 -1,-0.1 0.664 85.9 42.2 -44.7 -36.4 29.8 -6.7 -0.3 86 440 A H T 3 S- 0 0 76 50,-2.6 -1,-0.3 1,-0.3 51,-0.2 0.207 94.7-141.3-106.8 18.4 31.4 -6.4 3.2 87 441 A G < + 0 0 32 -3,-1.7 49,-2.9 49,-0.3 -1,-0.3 -0.191 53.9 3.0 66.9-150.1 28.6 -7.7 5.5 88 442 A C B > -G 135 0B 21 47,-0.2 4,-2.5 1,-0.1 47,-0.3 -0.491 60.9-128.2 -78.9 143.8 27.6 -6.3 8.9 89 443 A L H > S+ 0 0 0 45,-2.4 4,-2.7 42,-0.8 5,-0.2 0.866 107.4 57.2 -56.3 -41.4 29.4 -3.3 10.4 90 444 A S H > S+ 0 0 22 41,-1.0 4,-1.9 44,-0.3 -1,-0.2 0.957 110.8 41.4 -57.4 -52.6 30.1 -5.2 13.7 91 445 A D H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.904 114.7 53.7 -60.3 -43.4 32.0 -8.0 11.9 92 446 A Y H X S+ 0 0 25 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.923 108.4 47.6 -58.1 -48.3 33.7 -5.5 9.7 93 447 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 113.4 49.9 -61.1 -39.8 35.0 -3.3 12.6 94 448 A R H >< S+ 0 0 121 -4,-1.9 3,-0.7 -5,-0.2 -2,-0.2 0.905 113.8 40.7 -67.7 -47.3 36.3 -6.4 14.5 95 449 A T H 3< S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.761 119.7 46.1 -77.1 -22.2 38.2 -8.0 11.7 96 450 A Q T >< S+ 0 0 61 -4,-1.7 3,-2.3 -5,-0.3 -1,-0.2 0.300 81.9 142.9 -99.6 8.2 39.6 -4.7 10.5 97 451 A R T < + 0 0 94 -3,-0.7 -3,-0.1 1,-0.3 86,-0.1 -0.195 67.5 23.2 -52.3 133.8 40.5 -3.5 14.0 98 452 A G T 3 S+ 0 0 61 2,-0.1 -1,-0.3 3,-0.0 -4,-0.1 0.273 106.3 81.3 92.8 -10.9 43.7 -1.5 14.0 99 453 A L S < S+ 0 0 135 -3,-2.3 2,-0.4 2,-0.1 -2,-0.2 0.306 70.2 100.2-108.0 6.6 43.5 -0.5 10.4 100 454 A F - 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0 0 95 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.3 -0.343 17.5-176.9 -63.5 143.2 49.2 40.3 41.7 454 576 B R - 0 0 46 -2,-0.0 16,-0.1 0, 0.0 -5,-0.0 -0.994 34.9 -93.4-143.6 139.9 47.5 38.8 38.7 455 577 B L - 0 0 5 -2,-0.3 15,-0.0 1,-0.1 -28,-0.0 -0.191 51.6-106.3 -50.4 142.3 44.0 39.3 37.4 456 578 B Y - 0 0 126 1,-0.1 -1,-0.1 -29,-0.0 0, 0.0 -0.092 36.1 -92.1 -67.1 168.8 41.5 36.7 38.7 457 579 B K - 0 0 84 2,-0.0 -1,-0.1 4,-0.0 6,-0.0 -0.758 38.2-133.1 -89.2 118.1 40.1 33.9 36.7 458 580 B P > - 0 0 6 0, 0.0 3,-2.1 0, 0.0 -27,-0.1 -0.385 23.7-114.0 -66.1 149.7 36.8 34.8 35.0 459 581 B R T 3 S+ 0 0 241 1,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 0.883 114.5 57.6 -53.2 -42.3 34.1 32.1 35.5 460 582 B L T 3 S+ 0 0 56 -30,-0.4 2,-0.5 2,-0.0 -1,-0.3 0.500 91.2 89.3 -70.9 -1.3 34.0 31.3 31.8 461 583 B A S < S- 0 0 5 -3,-2.1 2,-0.0 -31,-0.1 -4,-0.0 -0.848 72.9-136.3-102.0 130.8 37.7 30.5 31.8 462 584 B S > - 0 0 54 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.305 28.5-106.2 -76.0 163.7 38.9 26.9 32.5 463 585 B T H > S+ 0 0 84 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.829 124.9 52.5 -59.3 -30.9 41.8 26.2 34.8 464 586 B H H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 108.6 48.4 -71.7 -41.7 43.8 25.3 31.6 465 587 B V H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.918 111.3 51.7 -62.8 -42.4 42.9 28.7 30.0 466 588 B Y H X S+ 0 0 51 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.774 103.6 57.5 -65.6 -28.5 43.9 30.4 33.3 467 589 B Q H X S+ 0 0 92 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.937 106.9 48.6 -67.5 -44.6 47.3 28.6 33.3 468 590 B I H X S+ 0 0 10 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.899 108.6 53.3 -61.5 -41.1 48.0 30.1 29.8 469 591 B M H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.928 111.2 47.0 -59.1 -46.0 47.0 33.6 31.0 470 592 B N H < S+ 0 0 41 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.770 106.6 56.5 -68.5 -27.0 49.4 33.2 33.9 471 593 B H H >< S+ 0 0 66 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.896 105.6 52.2 -69.4 -37.9 52.2 32.0 31.6 472 594 B C H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.737 108.0 55.0 -66.7 -23.1 51.8 35.2 29.6 473 595 B W T 3< S+ 0 0 1 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.070 72.0 138.7-100.4 22.7 52.2 37.0 32.9 474 596 B K < - 0 0 89 -3,-1.4 6,-0.1 1,-0.1 5,-0.1 -0.487 58.9-129.5 -65.2 136.9 55.5 35.6 34.0 475 597 B E S S+ 0 0 113 -2,-0.1 -69,-0.2 4,-0.1 -1,-0.1 0.821 94.8 65.0 -59.3 -32.3 57.6 38.4 35.4 476 598 B R S >> S- 0 0 142 1,-0.1 3,-1.7 -71,-0.1 4,-0.6 -0.836 76.1-147.6 -97.2 124.6 60.5 37.4 33.2 477 599 B P G >4 S+ 0 0 41 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.857 99.2 61.2 -54.6 -37.0 60.0 37.8 29.4 478 600 B E G 34 S+ 0 0 142 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.746 102.6 52.7 -63.0 -23.7 62.2 34.8 28.8 479 601 B D G <4 S+ 0 0 90 -3,-1.7 -1,-0.3 -5,-0.1 -6,-0.1 0.590 89.5 92.9 -90.3 -9.9 59.7 32.7 30.8 480 602 B R S << S- 0 0 2 -3,-1.2 -8,-0.2 -4,-0.6 -9,-0.1 -0.623 84.6-110.7 -82.7 142.5 56.7 33.8 28.8 481 603 B P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.345 31.1-109.5 -69.8 153.5 55.8 31.5 25.9 482 604 B A >> - 0 0 26 1,-0.1 4,-2.8 -63,-0.0 3,-1.1 -0.475 27.5-113.8 -77.6 154.2 56.3 32.7 22.3 483 605 B F H 3> S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 -119,-0.2 0.874 120.3 59.3 -56.1 -35.9 53.1 33.5 20.3 484 606 B S H 3> S+ 0 0 50 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.838 110.4 42.3 -61.5 -30.4 54.0 30.6 18.0 485 607 B R H <> S+ 0 0 143 -3,-1.1 4,-2.4 2,-0.2 3,-0.3 0.909 110.0 55.9 -81.1 -44.2 53.9 28.4 21.2 486 608 B L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.845 101.2 60.7 -53.9 -37.1 50.7 30.0 22.5 487 609 B L H X S+ 0 0 46 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.939 108.4 40.5 -59.1 -49.2 49.0 29.1 19.2 488 610 B R H X S+ 0 0 161 -4,-0.9 4,-3.1 -3,-0.3 -2,-0.2 0.926 115.4 52.2 -65.8 -44.8 49.5 25.4 19.6 489 611 B Q H X S+ 0 0 42 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.914 112.6 45.0 -58.1 -44.3 48.7 25.5 23.4 490 612 B L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.935 114.0 48.4 -66.5 -45.6 45.4 27.4 22.6 491 613 B A H < S+ 0 0 58 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.907 109.4 54.7 -59.8 -40.6 44.5 25.0 19.8 492 614 B E H < S+ 0 0 169 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.882 108.8 47.6 -59.2 -40.5 45.3 22.1 22.1 493 615 B I H < 0 0 48 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 360.0 360.0 -69.3 -36.5 42.9 23.5 24.7 494 616 B A < 0 0 68 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.865 360.0 360.0 -63.4 360.0 40.2 24.0 22.0