==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-APR-10 3MJ1 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,A.G.VILLASENOR . 228 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 15.4 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 0.9 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 . 1 0.4 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 1 2 0 2 1 0 0 0 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 . 1 0 1 1 1 1 1 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 1 355 A G 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-121.3 1.1 -12.5 -11.5 2 356 A S + 0 0 24 56,-0.1 57,-3.2 2,-0.0 2,-0.5 0.558 360.0 92.9 -90.3 -8.7 4.7 -11.7 -10.4 3 357 A V B -a 59 0A 85 55,-0.2 2,-0.5 57,-0.1 57,-0.2 -0.766 54.0-164.4-102.3 123.6 5.9 -10.6 -13.9 4 358 A I - 0 0 7 55,-2.5 58,-0.3 -2,-0.5 57,-0.3 -0.903 26.0-122.5-102.2 128.8 5.8 -7.1 -15.2 5 359 A D > - 0 0 78 -2,-0.5 3,-2.0 1,-0.1 4,-0.2 -0.468 17.6-127.9 -66.1 135.6 6.2 -6.6 -19.0 6 360 A P G > S+ 0 0 24 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.804 108.2 63.1 -57.0 -30.1 9.2 -4.4 -19.9 7 361 A S G 3 S+ 0 0 101 1,-0.3 -2,-0.0 3,-0.0 21,-0.0 0.609 91.8 66.1 -70.5 -12.5 7.0 -2.2 -22.0 8 362 A E G < S+ 0 0 62 -3,-2.0 20,-3.0 20,-0.1 21,-0.4 0.514 94.5 75.4 -83.4 -6.2 5.0 -1.3 -18.9 9 363 A L E < -B 27 0A 15 -3,-1.4 2,-0.4 -4,-0.2 18,-0.2 -0.862 57.9-165.2-115.4 142.8 8.0 0.6 -17.5 10 364 A T E -B 26 0A 54 16,-1.8 16,-1.6 -2,-0.4 2,-0.7 -0.994 17.5-141.4-123.3 122.8 9.6 3.9 -18.3 11 365 A F E +B 25 0A 83 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.760 27.8 169.0 -85.0 116.1 13.1 4.7 -17.0 12 366 A V E - 0 0 61 12,-2.3 2,-0.3 -2,-0.7 13,-0.2 0.917 53.9 -32.9 -95.7 -54.3 13.2 8.3 -16.0 13 367 A Q E -B 24 0A 115 11,-1.5 11,-3.0 0, 0.0 -1,-0.3 -0.948 58.8 -95.7-169.5 147.4 16.4 9.0 -14.1 14 368 A E E +B 23 0A 105 -2,-0.3 9,-0.3 9,-0.3 3,-0.1 -0.507 32.2 179.9 -67.1 133.7 18.9 7.4 -11.7 15 369 A I E - 0 0 80 7,-3.0 2,-0.3 1,-0.4 8,-0.2 0.389 56.6 -53.3-117.8 -1.4 18.1 8.2 -8.1 16 370 A G E -B 22 0A 28 6,-1.1 6,-2.4 2,-0.0 -1,-0.4 -0.892 51.4 -88.5 153.5 179.9 20.9 6.3 -6.4 17 371 A S E B 21 0A 91 -2,-0.3 4,-0.2 4,-0.2 19,-0.0 -0.949 360.0 360.0-124.4 145.1 22.9 3.1 -5.8 18 372 A G 0 0 85 2,-2.9 -2,-0.0 -2,-0.4 4,-0.0 -0.627 360.0 360.0-101.3 360.0 22.3 0.3 -3.4 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 20 375 A G 0 0 48 0, 0.0 -2,-2.9 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 -64.1 22.9 -1.9 -7.6 21 376 A L E -B 17 0A 65 16,-0.3 16,-2.0 -4,-0.2 2,-0.4 -0.336 360.0-161.7 -72.6 140.8 21.4 0.9 -9.7 22 377 A V E -BC 16 36A 19 -6,-2.4 -7,-3.0 14,-0.2 -6,-1.1 -0.990 7.5-170.4-126.4 128.4 18.0 2.5 -8.7 23 378 A H E -BC 14 35A 35 12,-2.6 12,-3.1 -2,-0.4 2,-0.4 -0.905 26.0-127.1-117.2 142.3 15.9 4.5 -11.1 24 379 A L E +BC 13 34A 16 -11,-3.0 -12,-2.3 -2,-0.4 -11,-1.5 -0.732 49.3 161.8 -71.6 135.2 12.8 6.6 -10.7 25 380 A G E -BC 11 33A 0 8,-2.6 8,-2.2 -2,-0.4 2,-0.4 -0.860 37.1-113.8-143.5 178.7 10.4 5.3 -13.3 26 381 A Y E -BC 10 32A 77 -16,-1.6 -16,-1.8 -2,-0.3 2,-0.5 -0.979 16.2-146.6-121.0 140.3 6.7 5.2 -14.3 27 382 A W E >> S-BC 9 31A 57 4,-2.8 4,-1.8 -2,-0.4 3,-1.3 -0.929 88.5 -10.2-105.2 121.6 4.5 2.1 -14.3 28 383 A L T 34 S- 0 0 97 -20,-3.0 -1,-0.2 -2,-0.5 -19,-0.1 0.895 118.4 -76.4 50.9 44.1 1.9 2.2 -17.2 29 384 A N T 34 S+ 0 0 135 -21,-0.4 -1,-0.2 -3,-0.3 3,-0.1 0.388 128.4 68.1 57.0 0.8 2.9 5.9 -17.8 30 385 A K T <4 S+ 0 0 166 -3,-1.3 2,-0.4 1,-0.2 -1,-0.2 0.790 82.8 61.9-115.3 -44.8 0.9 7.1 -14.7 31 386 A D E < S-C 27 0A 70 -4,-1.8 -4,-2.8 1,-0.0 2,-0.2 -0.770 72.1-125.0-105.6 132.9 2.5 5.9 -11.4 32 387 A K E +C 26 0A 110 -2,-0.4 40,-0.6 -6,-0.2 2,-0.3 -0.510 37.7 170.8 -68.5 134.1 5.9 6.6 -10.0 33 388 A V E -CD 25 71A 0 -8,-2.2 -8,-2.6 -2,-0.2 2,-0.6 -0.962 34.7-122.0-140.1 156.3 7.9 3.5 -9.1 34 389 A A E -CD 24 70A 13 36,-2.2 36,-3.3 -2,-0.3 2,-0.6 -0.920 25.8-155.3-100.2 123.6 11.4 2.7 -8.0 35 390 A I E -CD 23 69A 0 -12,-3.1 -12,-2.6 -2,-0.6 2,-0.8 -0.893 4.9-162.9-105.9 116.0 13.1 0.4 -10.4 36 391 A K E -CD 22 68A 46 32,-3.0 32,-2.5 -2,-0.6 2,-0.4 -0.864 5.6-170.5-105.5 105.5 15.9 -1.7 -8.9 37 392 A T E D 0 67A 24 -16,-2.0 -16,-0.3 -2,-0.8 30,-0.2 -0.808 360.0 360.0 -93.8 135.5 18.3 -3.3 -11.4 38 393 A I 0 0 148 28,-1.5 -17,-0.2 -2,-0.4 -1,-0.1 -0.242 360.0 360.0 -62.3 360.0 20.9 -5.8 -10.2 39 ! 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 40 405 A E > 0 0 206 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -14.3 11.4 -17.8 -5.9 41 406 A E H > + 0 0 160 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.813 360.0 56.7 -65.3 -30.9 12.7 -15.4 -3.2 42 407 A A H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.815 100.5 57.0 -68.7 -33.7 10.7 -12.7 -5.1 43 408 A E H > S+ 0 0 86 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.910 109.1 45.0 -63.1 -45.8 7.5 -14.8 -4.7 44 409 A V H X S+ 0 0 79 -4,-1.4 4,-0.7 1,-0.2 3,-0.4 0.918 110.9 56.0 -61.1 -45.4 7.9 -14.7 -0.9 45 410 A M H >< S+ 0 0 31 -4,-2.0 3,-0.7 1,-0.2 11,-0.3 0.851 104.3 50.9 -57.9 -41.3 8.8 -11.0 -1.1 46 411 A M H 3< S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.822 103.4 59.1 -69.3 -31.2 5.5 -10.1 -2.9 47 412 A K H 3< S+ 0 0 167 -4,-1.2 2,-1.6 -3,-0.4 -1,-0.2 0.698 84.5 91.2 -67.5 -20.6 3.4 -11.9 -0.3 48 413 A L << + 0 0 12 -3,-0.7 2,-0.6 -4,-0.7 8,-0.3 -0.607 58.2 165.4 -80.8 87.1 5.0 -9.6 2.3 49 414 A S + 0 0 78 -2,-1.6 5,-0.1 6,-0.1 -3,-0.1 -0.924 7.1 137.0-114.0 114.3 2.4 -6.9 2.3 50 415 A H > - 0 0 41 -2,-0.6 3,-2.0 3,-0.3 54,-0.1 -0.977 56.5-121.9-151.8 142.6 2.3 -4.3 5.1 51 416 A P T 3 S+ 0 0 85 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.634 114.0 50.9 -62.2 -13.7 1.8 -0.5 5.1 52 417 A K T 3 S+ 0 0 33 80,-0.1 81,-2.6 51,-0.1 2,-0.4 0.145 97.8 80.2-110.8 16.6 5.1 -0.0 6.8 53 418 A L B < S-f 133 0B 0 -3,-2.0 2,-0.4 79,-0.3 -3,-0.3 -0.986 90.3-112.8-118.1 133.8 7.1 -2.2 4.4 54 419 A V - 0 0 2 79,-2.6 2,-0.3 -2,-0.4 81,-0.1 -0.524 44.3-124.7 -62.8 119.9 8.2 -0.9 1.0 55 420 A Q - 0 0 26 -2,-0.4 16,-2.5 -4,-0.1 2,-0.6 -0.524 9.9-142.8 -81.1 131.3 6.1 -2.9 -1.4 56 421 A L E - E 0 70A 8 -11,-0.3 14,-0.2 -8,-0.3 3,-0.1 -0.859 16.7-173.6 -85.7 118.8 7.5 -5.0 -4.2 57 422 A Y E - 0 0 96 12,-3.1 2,-0.3 -2,-0.6 13,-0.2 0.706 54.2 -50.1 -87.3 -25.7 5.0 -4.7 -7.1 58 423 A G E - E 0 69A 0 11,-1.0 11,-2.8 -54,-0.1 2,-0.4 -0.942 48.7 -98.2 167.8 172.5 6.6 -7.2 -9.5 59 424 A V E -aE 3 68A 7 -57,-3.2 -55,-2.5 -2,-0.3 2,-0.9 -0.965 19.8-143.1-119.3 133.6 9.7 -8.5 -11.3 60 425 A C E + E 0 67A 0 7,-3.1 7,-1.4 -2,-0.4 3,-0.3 -0.849 28.0 167.9 -94.2 101.4 10.6 -7.6 -14.8 61 426 A L + 0 0 100 -2,-0.9 2,-1.9 -57,-0.3 -1,-0.2 0.843 62.7 71.9 -81.9 -37.1 12.1 -10.9 -16.1 62 427 A E S S+ 0 0 151 -58,-0.3 2,-0.3 2,-0.0 -1,-0.2 -0.199 89.7 78.9 -80.9 47.6 12.3 -10.1 -19.8 63 428 A Q S S- 0 0 65 -2,-1.9 4,-0.0 -3,-0.3 -3,-0.0 -0.987 81.8-106.0-153.4 144.4 15.1 -7.7 -19.3 64 429 A A S S+ 0 0 100 -2,-0.3 2,-0.1 1,-0.3 -3,-0.0 -0.983 110.9 23.7-122.3 120.2 18.9 -8.0 -18.8 65 430 A P S S- 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.640 106.1-123.2 -78.4 157.1 19.7 -7.5 -16.1 66 431 A I - 0 0 82 -2,-0.1 -28,-1.5 -29,-0.1 2,-0.3 -0.247 29.7-154.1 -60.7 146.2 16.4 -8.3 -14.4 67 432 A C E -DE 37 60A 1 -7,-1.4 -7,-3.1 -30,-0.2 2,-0.4 -0.915 11.6-135.9-128.2 158.2 14.8 -5.6 -12.3 68 433 A L E -DE 36 59A 48 -32,-2.5 -32,-3.0 -2,-0.3 2,-0.6 -0.869 17.1-141.1-108.8 140.3 12.4 -5.3 -9.3 69 434 A V E -DE 35 58A 0 -11,-2.8 -12,-3.1 -2,-0.4 -11,-1.0 -0.913 27.4-177.2-110.0 117.3 9.6 -2.7 -9.3 70 435 A F E -DE 34 56A 11 -36,-3.3 -36,-2.2 -2,-0.6 -14,-0.2 -0.707 35.4 -87.4-114.3 159.3 9.0 -1.1 -5.9 71 436 A E E -D 33 0A 29 -16,-2.5 2,-0.5 -2,-0.2 -38,-0.2 -0.401 52.3-117.3 -53.2 132.2 6.7 1.4 -4.2 72 437 A F - 0 0 53 -40,-0.6 2,-0.7 -2,-0.1 -1,-0.1 -0.728 23.8-162.8 -86.9 125.4 8.2 4.9 -4.7 73 438 A M > - 0 0 13 -2,-0.5 3,-1.5 1,-0.1 52,-0.2 -0.913 4.4-159.9-110.9 106.3 9.2 6.7 -1.5 74 439 A E T 3 S+ 0 0 100 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.682 82.9 51.8 -65.8 -25.6 9.5 10.4 -2.3 75 440 A H T 3 S- 0 0 79 50,-2.3 -1,-0.3 1,-0.3 51,-0.2 0.323 95.1-146.6-100.7 8.8 11.7 11.5 0.6 76 441 A G < + 0 0 28 -3,-1.5 49,-2.6 49,-0.4 -1,-0.3 -0.180 51.3 8.5 70.3-154.4 14.5 8.9 0.1 77 442 A C B > -G 124 0B 38 47,-0.2 4,-2.3 1,-0.1 47,-0.3 -0.303 58.2-135.9 -69.3 142.1 16.5 7.2 2.9 78 443 A L H > S+ 0 0 0 45,-2.6 4,-2.8 42,-0.9 5,-0.2 0.895 106.7 56.2 -62.6 -41.9 15.7 7.8 6.5 79 444 A S H > S+ 0 0 5 41,-0.9 4,-1.8 44,-0.3 -1,-0.2 0.945 111.9 42.2 -51.5 -52.9 19.4 8.3 7.3 80 445 A D H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.883 114.6 51.5 -61.4 -41.9 19.6 11.1 4.7 81 446 A Y H X S+ 0 0 21 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.858 108.2 50.6 -69.1 -39.7 16.3 12.6 5.8 82 447 A L H < S+ 0 0 0 -4,-2.8 4,-0.4 2,-0.2 -1,-0.2 0.922 113.6 46.0 -60.5 -46.1 17.2 12.7 9.5 83 448 A R H >< S+ 0 0 96 -4,-1.8 3,-0.5 -5,-0.2 -2,-0.2 0.884 115.2 45.0 -67.4 -41.7 20.5 14.5 8.7 84 449 A T H 3< S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.813 119.8 41.2 -72.7 -30.3 18.9 17.0 6.3 85 450 A Q T >< S+ 0 0 64 -4,-1.9 3,-2.1 -5,-0.2 4,-0.2 0.335 83.4 144.0 -99.4 6.5 16.0 17.8 8.6 86 451 A R T < + 0 0 120 -3,-0.5 -3,-0.1 -4,-0.4 85,-0.0 -0.162 66.2 27.3 -50.6 130.6 18.1 17.8 11.8 87 452 A G T 3 S+ 0 0 65 2,-0.1 -1,-0.3 3,-0.0 -4,-0.1 0.256 104.9 80.5 98.8 -10.2 16.9 20.4 14.3 88 453 A L < + 0 0 130 -3,-2.1 2,-0.4 2,-0.1 -2,-0.2 0.461 69.3 103.7-104.0 -3.7 13.3 20.3 13.0 89 454 A F - 0 0 17 -4,-0.2 2,-0.3 -7,-0.1 -2,-0.1 -0.693 54.2-154.1 -94.1 127.4 12.2 17.2 14.9 90 455 A A >> - 0 0 46 -2,-0.4 4,-1.7 1,-0.1 3,-0.8 -0.655 32.2-115.4 -83.1 150.6 10.1 17.0 18.0 91 456 A A H 3> S+ 0 0 35 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.864 115.3 59.3 -53.8 -39.4 10.6 13.9 20.2 92 457 A E H 3> S+ 0 0 142 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.826 104.8 49.0 -62.2 -35.5 7.0 12.7 19.4 93 458 A T H <> S+ 0 0 51 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.891 109.8 51.1 -69.8 -42.4 7.7 12.6 15.7 94 459 A L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.888 109.1 51.4 -63.9 -40.1 10.9 10.6 16.2 95 460 A L H X S+ 0 0 31 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.913 107.1 53.8 -58.6 -46.6 9.0 8.1 18.4 96 461 A G H X S+ 0 0 30 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.855 106.0 53.2 -56.7 -38.9 6.4 7.8 15.5 97 462 A M H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.885 110.1 46.9 -63.8 -41.2 9.2 7.0 13.1 98 463 A C H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.877 110.8 52.9 -65.9 -38.7 10.4 4.2 15.5 99 464 A L H X S+ 0 0 33 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.910 106.7 52.7 -62.8 -44.8 6.8 3.0 15.8 100 465 A D H X S+ 0 0 23 -4,-2.4 4,-1.8 2,-0.2 3,-0.2 0.961 112.9 43.4 -52.4 -56.3 6.5 2.8 12.0 101 466 A V H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.902 111.8 53.9 -59.1 -45.0 9.6 0.7 11.7 102 467 A C H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.858 106.5 52.4 -60.1 -36.8 8.6 -1.5 14.6 103 468 A E H X S+ 0 0 49 -4,-2.2 4,-1.6 -3,-0.2 -1,-0.2 0.910 111.8 45.5 -66.2 -43.6 5.2 -2.2 13.0 104 469 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 -52,-0.2 -2,-0.2 0.922 114.9 48.1 -61.9 -46.7 6.9 -3.3 9.8 105 470 A M H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.818 107.0 55.3 -65.7 -35.1 9.4 -5.4 11.7 106 471 A A H X S+ 0 0 15 -4,-2.4 4,-2.3 116,-0.2 -1,-0.2 0.874 108.0 50.8 -64.1 -38.1 6.7 -7.0 13.8 107 472 A Y H X S+ 0 0 65 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.940 111.8 46.1 -62.5 -49.4 5.1 -8.1 10.6 108 473 A L H <>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 -2,-0.2 0.910 111.6 52.2 -59.7 -45.3 8.3 -9.6 9.3 109 474 A E H ><5S+ 0 0 32 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.925 110.7 47.2 -54.1 -48.8 8.9 -11.3 12.6 110 475 A E H 3<5S+ 0 0 161 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 111.8 51.7 -65.1 -29.1 5.4 -12.9 12.5 111 476 A A T 3<5S- 0 0 40 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.338 116.3-115.3 -89.2 4.8 6.1 -13.9 8.9 112 477 A S T < 5 + 0 0 110 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.919 68.4 140.5 57.5 48.8 9.5 -15.6 9.9 113 478 A V < - 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0 0 95 -3,-0.9 6,-0.1 1,-0.1 5,-0.1 -0.470 59.7-126.5 -64.0 138.0 21.0 -7.2 25.9 214 597 A E S S+ 0 0 92 -2,-0.1 -69,-0.3 4,-0.1 -1,-0.1 0.915 95.4 62.8 -53.2 -46.9 23.9 -9.5 25.3 215 598 A R S > S- 0 0 138 1,-0.1 3,-1.7 -71,-0.1 4,-0.5 -0.690 77.1-143.6 -86.3 128.9 21.7 -12.6 25.1 216 599 A P G > S+ 0 0 21 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.829 102.8 61.8 -55.7 -33.6 19.1 -12.7 22.3 217 600 A E G 3 S+ 0 0 139 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.685 99.8 53.8 -68.5 -18.8 16.8 -14.4 24.7 218 601 A D G < S+ 0 0 91 -3,-1.7 -1,-0.2 -5,-0.1 -6,-0.1 0.520 92.1 89.9 -91.8 -8.3 16.8 -11.3 27.0 219 602 A R S < S- 0 0 4 -3,-1.1 -8,-0.2 -4,-0.5 2,-0.1 -0.641 83.8-112.8 -86.7 144.4 15.8 -9.0 24.2 220 603 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.486 28.8-115.5 -73.5 149.2 12.1 -8.3 23.6 221 604 A A >> - 0 0 21 -2,-0.1 4,-2.4 1,-0.1 3,-0.5 -0.414 30.9-106.6 -72.3 159.6 10.4 -9.6 20.4 222 605 A F H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -116,-0.2 0.827 121.0 61.6 -58.4 -32.6 9.1 -7.0 18.0 223 606 A S H 3> S+ 0 0 41 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.919 109.1 41.5 -57.6 -43.7 5.6 -7.9 19.1 224 607 A R H <> S+ 0 0 135 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.922 112.6 53.2 -72.0 -44.2 6.5 -6.8 22.6 225 608 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.864 105.4 56.0 -54.9 -39.4 8.4 -3.7 21.5 226 609 A L H X S+ 0 0 33 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.911 107.1 48.0 -64.1 -43.2 5.3 -2.6 19.5 227 610 A R H X S+ 0 0 137 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.909 114.5 47.4 -60.1 -43.5 3.1 -2.7 22.6 228 611 A Q H < S+ 0 0 59 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.913 113.4 46.1 -66.5 -44.7 5.7 -0.7 24.5 229 612 A L H >< S+ 0 0 3 -4,-3.1 3,-0.8 1,-0.2 -1,-0.2 0.868 113.5 49.5 -67.5 -37.1 6.2 1.9 21.8 230 613 A A H 3< S+ 0 0 68 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.758 102.1 63.9 -70.2 -26.1 2.4 2.3 21.3 231 614 A A T 3< 0 0 86 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.569 360.0 360.0 -77.6 -9.1 1.9 2.7 25.1 232 615 A I < 0 0 93 -3,-0.8 -3,-0.0 -4,-0.4 0, 0.0 -0.366 360.0 360.0 -79.0 360.0 3.9 5.9 25.2