==== 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 30-MAY-08 2VUW . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE HASPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.ESWARAN,J.W.MURRAY,P.FILIPPAKOPOULOS,M.SOUNDARARAJAN,A.C.W . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 17.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 1 0 0 0 0 0 2 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 2 1 2 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 . 1 1 1 0 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 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 1 470 A K 0 0 259 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.0 8.5 -28.6 9.3 2 471 A G - 0 0 47 2,-0.0 93,-0.2 94,-0.0 0, 0.0 -0.182 360.0 -34.7 90.0 174.6 11.0 -25.7 9.8 3 472 A P - 0 0 61 0, 0.0 93,-0.3 0, 0.0 127,-0.0 -0.239 57.2-139.8 -67.9 158.9 13.4 -24.1 7.3 4 473 A V B -a 96 0A 34 91,-2.5 93,-2.4 1,-0.1 2,-0.1 -0.770 21.9-101.1-112.9 161.6 15.1 -26.2 4.6 5 474 A P >> - 0 0 70 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.388 36.4-108.1 -73.9 162.2 18.7 -26.0 3.2 6 475 A F H >> S+ 0 0 16 91,-0.4 4,-2.9 1,-0.3 3,-1.2 0.862 116.8 68.5 -58.3 -35.3 19.4 -24.2 -0.0 7 476 A S H 34 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.2 8,-0.1 0.728 88.8 65.0 -60.0 -21.4 20.1 -27.6 -1.6 8 477 A H H <4 S+ 0 0 106 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.896 115.1 28.4 -63.6 -40.8 16.4 -28.5 -1.2 9 478 A C H << S+ 0 0 8 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.755 133.5 36.5 -87.7 -31.9 15.4 -25.7 -3.7 10 479 A L S < S- 0 0 2 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.660 74.8-172.2-126.8 76.4 18.7 -25.8 -5.6 11 480 A P > - 0 0 66 0, 0.0 4,-2.8 0, 0.0 3,-0.3 -0.192 48.8 -84.5 -58.3 165.0 19.9 -29.4 -6.0 12 481 A T H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.816 126.2 42.4 -53.8 -48.0 23.4 -29.6 -7.5 13 482 A E H > S+ 0 0 115 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.937 117.4 47.7 -65.6 -40.4 22.6 -29.5 -11.3 14 483 A K H 4 S+ 0 0 27 -3,-0.3 3,-0.3 1,-0.2 4,-0.2 0.904 113.3 49.0 -66.9 -36.6 20.0 -26.8 -10.8 15 484 A L H >< S+ 0 0 30 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.925 108.4 53.7 -68.0 -40.4 22.4 -24.8 -8.7 16 485 A Q H 3< S+ 0 0 124 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.739 106.5 52.9 -67.9 -22.5 25.2 -25.2 -11.3 17 486 A R T 3< S+ 0 0 129 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.393 81.6 122.1 -93.1 2.9 22.9 -23.9 -14.0 18 487 A C < + 0 0 14 -3,-1.6 2,-0.4 -4,-0.2 14,-0.2 -0.463 34.5 178.8 -72.2 134.0 22.0 -20.6 -12.1 19 488 A E E -B 31 0A 134 12,-2.4 12,-3.3 -2,-0.2 2,-0.2 -0.998 32.4-115.1-127.9 138.6 22.9 -17.3 -13.7 20 489 A K E +B 30 0A 15 -2,-0.4 10,-0.3 87,-0.3 3,-0.1 -0.515 38.2 166.5 -74.8 134.1 22.0 -14.0 -12.1 21 490 A I E + 0 0 56 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.455 57.1 1.9-123.5 -8.7 19.4 -12.0 -14.1 22 491 A G E -B 29 0A 16 7,-1.7 7,-2.4 2,-0.0 -1,-0.3 -0.993 51.4-172.4-170.9 169.1 18.3 -9.2 -11.8 23 492 A E E +B 28 0A 50 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.979 5.5 170.6-161.4 166.1 18.6 -7.5 -8.4 24 493 A G E > -B 27 0A 19 3,-2.0 3,-1.7 -2,-0.3 -2,-0.0 -0.937 59.2 -78.0-164.7-178.4 17.1 -4.9 -6.2 25 494 A V T 3 S+ 0 0 83 -2,-0.3 30,-0.2 1,-0.3 3,-0.1 0.884 126.7 65.2 -56.8 -30.8 17.4 -3.7 -2.6 26 495 A F T 3 S- 0 0 58 1,-0.1 19,-0.4 18,-0.1 2,-0.3 0.699 116.5 -97.1 -61.1 -25.8 15.4 -6.7 -1.8 27 496 A G E < -B 24 0A 6 -3,-1.7 -3,-2.0 17,-0.1 2,-0.3 -0.994 55.9 -30.6 143.0-140.7 18.0 -9.2 -2.9 28 497 A E E -BC 23 43A 5 15,-1.7 15,-2.8 -2,-0.3 2,-0.4 -0.893 29.7-153.6-133.5 149.6 18.8 -11.3 -6.0 29 498 A V E -BC 22 42A 25 -7,-2.4 -8,-2.9 -2,-0.3 -7,-1.7 -0.993 16.9-177.7-126.8 127.8 17.2 -13.0 -8.9 30 499 A F E -BC 20 41A 0 11,-2.4 11,-3.4 -2,-0.4 2,-0.4 -0.873 16.5-142.3-119.3 148.0 18.7 -16.0 -10.7 31 500 A Q E +BC 19 40A 53 -12,-3.3 -12,-2.4 -2,-0.3 2,-0.2 -0.917 32.2 150.2-105.3 142.2 17.6 -18.0 -13.7 32 501 A T E - C 0 39A 7 7,-2.2 7,-2.1 -2,-0.4 2,-0.4 -0.745 33.5-113.1-147.7-161.7 18.0 -21.7 -13.8 33 502 A I E + C 0 38A 59 5,-0.3 2,-0.3 -2,-0.2 -16,-0.1 -0.999 23.4 171.0-145.2 137.6 16.4 -24.8 -15.3 34 503 A A E > S+ C 0 37A 39 3,-2.1 3,-1.4 -2,-0.4 -2,-0.0 -0.956 76.3 6.1-147.5 143.0 14.6 -27.8 -14.2 35 504 A D T 3 S- 0 0 156 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.924 130.5 -62.4 48.4 50.2 12.8 -30.4 -16.2 36 505 A H T 3 S+ 0 0 183 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.616 115.9 113.7 63.3 15.4 14.0 -28.6 -19.3 37 506 A T E < -C 34 0A 82 -3,-1.4 -3,-2.1 100,-0.0 -1,-0.2 -0.965 65.4-125.3-127.9 124.9 12.1 -25.5 -18.3 38 507 A P E -C 33 0A 51 0, 0.0 100,-0.9 0, 0.0 2,-0.3 -0.398 30.1-179.3 -68.0 147.3 13.6 -22.2 -17.2 39 508 A V E -CD 32 137A 6 -7,-2.1 -7,-2.2 98,-0.2 2,-0.4 -0.938 22.9-132.4-140.7 158.8 12.6 -20.6 -13.9 40 509 A A E -CD 31 136A 13 96,-2.5 96,-3.1 -2,-0.3 2,-0.5 -0.964 17.3-156.4-112.9 133.6 13.5 -17.5 -12.0 41 510 A I E -CD 30 135A 1 -11,-3.4 -11,-2.4 -2,-0.4 2,-0.5 -0.952 2.2-161.9-116.4 117.2 14.5 -17.7 -8.4 42 511 A K E -CD 29 134A 13 92,-2.9 92,-2.5 -2,-0.5 2,-0.5 -0.856 8.4-165.2-101.4 123.9 14.0 -14.7 -6.1 43 512 A I E +CD 28 133A 2 -15,-2.8 -15,-1.7 -2,-0.5 2,-0.4 -0.960 8.2 179.7-119.9 119.4 16.0 -14.8 -2.9 44 513 A I E - D 0 132A 9 88,-2.5 88,-2.6 -2,-0.5 2,-0.2 -0.979 23.1-135.5-122.2 117.8 15.3 -12.4 0.0 45 514 A A E - D 0 131A 10 -2,-0.4 13,-0.5 -19,-0.4 2,-0.3 -0.542 32.9-175.7 -67.5 133.6 17.2 -12.4 3.4 46 515 A I E +eD 58 130A 1 84,-2.5 84,-0.7 -2,-0.2 13,-0.2 -0.932 45.5 12.9-129.4 159.7 14.8 -12.1 6.3 47 516 A E S S+ 0 0 99 11,-2.6 12,-0.1 -2,-0.3 84,-0.1 0.305 86.8 117.8 71.3 -1.8 14.9 -11.8 10.1 48 517 A G - 0 0 19 10,-0.2 9,-0.5 82,-0.2 -1,-0.2 -0.486 65.4-128.7-100.6 166.9 18.5 -10.9 10.6 49 518 A P S S+ 0 0 116 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.496 72.7 102.4 -90.2 -12.1 20.2 -7.8 12.0 50 519 A D S S- 0 0 69 1,-0.1 7,-0.5 6,-0.1 2,-0.2 -0.509 76.0-117.0 -70.5 141.1 22.7 -7.0 9.2 51 520 A L - 0 0 95 -2,-0.2 2,-0.4 5,-0.1 5,-0.2 -0.601 30.0-158.7 -66.0 144.2 22.0 -4.3 6.8 52 521 A V B > S-G 55 0B 18 3,-2.8 3,-2.0 -2,-0.2 67,-0.0 -0.996 73.0 -13.8-132.0 119.7 21.6 -5.8 3.3 53 522 A N T 3 S- 0 0 24 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.841 131.2 -54.5 54.5 33.6 22.1 -3.5 0.3 54 523 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 65,-0.0 -1,-0.3 0.342 120.6 90.4 90.2 -5.3 21.8 -0.6 2.8 55 524 A S B < S-G 52 0B 55 -3,-2.0 -3,-2.8 -30,-0.2 -1,-0.2 -0.867 79.1-101.0-125.5 156.5 18.5 -1.5 4.3 56 525 A H - 0 0 151 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.1 -0.380 46.1-105.3 -68.5 150.6 17.2 -3.6 7.2 57 526 A Q - 0 0 17 -9,-0.5 -11,-0.2 -7,-0.5 -1,-0.1 -0.549 34.4-109.2 -76.4 144.2 15.9 -7.0 6.4 58 527 A K B -e 46 0A 67 -13,-0.5 -11,-2.6 -2,-0.2 -10,-0.2 -0.340 27.4-126.4 -64.6 148.7 12.2 -7.7 6.5 59 528 A T > - 0 0 52 -13,-0.2 4,-1.5 -12,-0.1 5,-0.2 -0.407 33.4-100.2 -81.6 170.3 10.7 -9.9 9.2 60 529 A F H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.932 126.0 54.3 -58.7 -42.5 8.6 -12.9 8.3 61 530 A E H 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.865 107.9 49.8 -59.5 -39.6 5.5 -10.8 9.0 62 531 A E H 4 S+ 0 0 109 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.777 112.8 45.7 -69.4 -30.1 6.7 -8.1 6.6 63 532 A I H X S+ 0 0 3 -4,-1.5 4,-1.6 -3,-0.4 3,-0.3 0.694 92.1 82.6 -87.9 -17.9 7.5 -10.5 3.7 64 533 A L H X S+ 0 0 66 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.850 82.9 59.4 -57.2 -39.8 4.2 -12.5 4.0 65 534 A P H > S+ 0 0 29 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.946 105.3 48.7 -57.1 -45.8 2.1 -10.0 2.0 66 535 A E H > S+ 0 0 8 -4,-0.4 4,-2.5 -3,-0.3 -2,-0.2 0.895 112.4 49.8 -59.2 -42.0 4.3 -10.5 -1.1 67 536 A I H X S+ 0 0 10 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.951 113.0 45.6 -59.3 -48.9 4.1 -14.2 -0.7 68 537 A I H X S+ 0 0 57 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.906 114.8 46.8 -63.9 -44.5 0.4 -14.2 -0.4 69 538 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 5,-0.3 0.910 107.7 56.1 -66.1 -41.2 -0.2 -11.9 -3.3 70 539 A S H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.920 111.6 45.8 -54.3 -45.5 2.3 -13.8 -5.6 71 540 A K H X S+ 0 0 98 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.941 111.6 49.8 -64.6 -47.0 0.1 -16.9 -4.9 72 541 A E H X S+ 0 0 42 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.911 113.1 45.6 -60.6 -42.9 -3.2 -15.2 -5.5 73 542 A L H >< S+ 0 0 2 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.861 110.7 53.2 -73.0 -34.9 -2.2 -13.6 -8.7 74 543 A S H >< S+ 0 0 19 -4,-1.9 3,-1.8 -5,-0.3 4,-0.3 0.902 102.8 59.6 -60.9 -41.0 -0.7 -16.8 -10.0 75 544 A L H >< S+ 0 0 99 -4,-2.2 3,-1.8 1,-0.3 4,-0.3 0.719 84.7 79.1 -66.3 -16.4 -3.9 -18.6 -9.3 76 545 A L G X< S+ 0 0 3 -3,-0.7 8,-1.2 -4,-0.6 3,-0.9 0.754 79.5 69.9 -63.4 -19.1 -5.8 -16.3 -11.7 77 546 A S G < S+ 0 0 56 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.770 105.4 40.3 -68.4 -20.8 -4.5 -18.4 -14.6 78 547 A G G < S+ 0 0 62 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.313 94.3 100.4-110.8 8.6 -6.7 -21.2 -13.4 79 548 A E < - 0 0 102 -3,-0.9 4,-0.1 -4,-0.3 -3,-0.0 -0.224 56.7-149.3 -87.3 179.3 -9.9 -19.4 -12.4 80 549 A V S S+ 0 0 110 2,-0.1 3,-0.3 -2,-0.0 122,-0.2 0.762 85.2 37.3-117.7 -58.7 -13.1 -19.1 -14.5 81 550 A C S S+ 0 0 81 1,-0.3 121,-2.9 120,-0.1 2,-0.4 0.872 132.7 26.6 -71.6 -37.3 -15.1 -15.8 -14.0 82 551 A N S S+ 0 0 17 119,-0.2 2,-0.4 118,-0.2 -1,-0.3 -0.870 85.8 161.2-128.9 100.0 -11.9 -13.8 -13.6 83 552 A R B +H 199 0C 56 116,-1.8 116,-2.4 -2,-0.4 2,-0.3 -0.962 5.0 152.7-129.2 130.8 -9.0 -15.4 -15.5 84 553 A T - 0 0 7 -8,-1.2 3,-0.2 -2,-0.4 -5,-0.1 -0.968 32.1-162.6-154.7 143.6 -5.7 -14.1 -16.7 85 554 A E + 0 0 89 112,-0.4 4,-0.1 -2,-0.3 -8,-0.1 0.169 69.3 104.7 -99.4 13.7 -2.3 -15.4 -17.4 86 555 A G + 0 0 6 129,-0.1 130,-2.3 76,-0.1 2,-0.3 0.413 66.2 70.5 -85.2 -0.4 -0.8 -11.9 -17.3 87 556 A F B S-j 216 0D 7 -14,-0.3 130,-0.2 128,-0.3 -10,-0.0 -0.838 98.4 -91.2-107.0 153.2 0.8 -12.3 -13.9 88 557 A I - 0 0 4 128,-1.8 2,-0.2 -2,-0.3 -2,-0.1 -0.314 39.4-112.8 -68.3 144.2 3.8 -14.5 -13.4 89 558 A G - 0 0 14 -4,-0.1 48,-2.5 -15,-0.1 2,-0.6 -0.528 23.7-145.7 -72.2 137.2 3.3 -18.2 -12.4 90 559 A L E + F 0 136A 27 46,-0.2 46,-0.3 -2,-0.2 3,-0.1 -0.947 18.2 179.3-106.4 118.7 4.5 -19.0 -8.9 91 560 A N E - 0 0 90 44,-2.7 2,-0.3 -2,-0.6 45,-0.2 0.887 61.1 -27.0 -84.5 -45.4 5.9 -22.6 -8.6 92 561 A S E - F 0 135A 36 43,-1.6 43,-2.9 2,-0.0 2,-0.4 -0.991 44.8-144.2-163.9 162.9 6.9 -22.7 -5.0 93 562 A V E + F 0 134A 39 -2,-0.3 2,-0.3 41,-0.2 41,-0.2 -1.000 22.5 178.5-134.5 132.8 8.0 -20.7 -1.9 94 563 A H E - F 0 133A 46 39,-2.5 39,-2.7 -2,-0.4 2,-0.6 -0.966 30.1-135.0-130.2 153.1 10.4 -21.9 0.7 95 564 A C E - F 0 132A 40 -2,-0.3 -91,-2.5 37,-0.2 2,-0.3 -0.944 36.4-168.9 -99.9 117.2 12.0 -20.7 3.9 96 565 A V E -aF 4 131A 0 35,-2.7 35,-2.5 -2,-0.6 2,-0.4 -0.843 11.9-158.5-111.1 143.3 15.7 -21.6 3.6 97 566 A Q E + F 0 130A 83 -93,-2.4 -91,-0.4 -2,-0.3 2,-0.3 -0.992 44.0 67.8-123.1 132.1 18.4 -21.5 6.2 98 567 A G S S- 0 0 13 31,-2.4 29,-0.1 -2,-0.4 30,-0.1 -0.827 78.6 -61.0 153.5 175.1 22.1 -21.3 5.6 99 568 A S S S- 0 0 61 -2,-0.3 -93,-0.2 1,-0.1 27,-0.1 -0.386 72.2 -79.1 -78.8 166.1 25.0 -19.3 4.3 100 569 A Y - 0 0 10 25,-0.2 -1,-0.1 22,-0.2 5,-0.1 -0.447 54.1-105.4 -71.8 134.7 24.8 -18.2 0.7 101 570 A P >> - 0 0 14 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.359 18.1-134.2 -61.0 132.4 25.8 -21.0 -1.7 102 571 A P H 3> S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.841 106.6 58.1 -51.8 -37.2 29.3 -20.5 -3.2 103 572 A L H 3> S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.833 106.2 49.0 -65.4 -30.3 27.9 -21.4 -6.7 104 573 A L H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.848 108.1 53.3 -76.6 -33.9 25.4 -18.5 -6.3 105 574 A L H X S+ 0 0 22 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.897 106.6 53.9 -63.4 -36.4 28.2 -16.1 -5.3 106 575 A K H X S+ 0 0 138 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.943 110.9 44.9 -61.0 -43.9 30.1 -17.3 -8.5 107 576 A A H X S+ 0 0 11 -4,-1.7 4,-1.8 2,-0.2 -87,-0.3 0.889 112.0 53.0 -65.5 -40.2 27.0 -16.3 -10.5 108 577 A W H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.923 108.4 50.1 -60.1 -44.8 26.7 -13.0 -8.6 109 578 A D H X S+ 0 0 50 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.870 106.8 54.9 -64.4 -38.0 30.4 -12.2 -9.3 110 579 A H H X S+ 0 0 131 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.908 110.3 45.4 -64.5 -40.7 29.9 -12.8 -13.1 111 580 A Y H X>S+ 0 0 34 -4,-1.8 4,-2.9 1,-0.2 5,-1.8 0.882 110.8 53.3 -67.6 -39.4 27.0 -10.4 -13.2 112 581 A N H <5S+ 0 0 69 -4,-2.1 5,-0.2 1,-0.2 -2,-0.2 0.894 110.6 48.7 -63.9 -36.9 28.9 -7.8 -11.2 113 582 A S H <5S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.714 123.0 29.0 -73.8 -28.3 31.8 -8.1 -13.7 114 583 A T H <5S+ 0 0 87 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.2 0.758 139.5 13.0-106.7 -36.2 29.7 -7.8 -16.9 115 584 A K T <5S- 0 0 140 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.628 100.3-126.2-112.8 -24.0 26.7 -5.6 -16.0 116 585 A G < - 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0 0 3 -15,-2.4 3,-2.0 -2,-0.1 -14,-0.1 0.715 8.0-146.4 -82.4 -22.5 -0.3 -10.8 -29.1 210 679 A C T 3 S- 0 0 70 -16,-0.5 -16,-0.1 1,-0.3 3,-0.1 0.838 75.8 -61.8 49.6 30.6 1.9 -9.3 -31.8 211 680 A G T 3 S+ 0 0 30 -18,-0.4 -20,-2.0 1,-0.2 2,-0.4 0.521 117.2 102.7 80.2 8.7 4.1 -12.2 -30.9 212 681 A L E < - L 0 190D 18 -3,-2.0 2,-0.5 -22,-0.3 -22,-0.2 -0.965 53.0-156.1-130.0 140.3 4.6 -11.3 -27.3 213 682 A Q E - L 0 189D 32 -24,-3.1 -24,-1.9 -2,-0.4 2,-0.3 -0.972 19.2-147.8-110.8 125.2 3.3 -12.4 -23.9 214 683 A V E - L 0 188D 2 -2,-0.5 2,-0.4 -26,-0.2 -26,-0.2 -0.722 12.2-170.8 -94.1 137.9 3.4 -9.9 -21.1 215 684 A S E - L 0 187D 2 -28,-2.2 -28,-2.9 -2,-0.3 2,-0.4 -0.998 13.3-145.5-129.2 132.8 3.9 -10.9 -17.5 216 685 A I E +jL 87 186D 0 -130,-2.3 -128,-1.8 -2,-0.4 2,-0.2 -0.775 27.6 178.7 -95.8 132.6 3.6 -8.5 -14.5 217 686 A I + 0 0 39 -32,-2.0 -32,-0.0 -2,-0.4 -33,-0.0 -0.773 33.0 56.2-126.7 172.4 5.9 -9.2 -11.6 218 687 A D - 0 0 19 -2,-0.2 3,-0.3 1,-0.1 -1,-0.1 0.997 37.0-174.0 73.1 94.6 7.0 -7.9 -8.1 219 688 A Y > + 0 0 3 1,-0.2 3,-1.1 -153,-0.1 -150,-0.1 0.089 44.4 122.6-106.2 25.3 4.3 -7.6 -5.5 220 689 A T T 3 S+ 0 0 32 1,-0.3 -1,-0.2 -40,-0.1 -154,-0.1 0.739 88.3 26.4 -59.1 -30.6 6.4 -6.0 -2.8 221 690 A L T 3 S+ 0 0 27 -3,-0.3 12,-0.4 -43,-0.3 -1,-0.3 0.306 98.9 126.4-110.3 3.6 4.2 -2.8 -2.6 222 691 A S < - 0 0 2 -3,-1.1 11,-0.4 10,-0.1 2,-0.3 -0.113 41.0-157.3 -71.9 162.2 0.9 -4.5 -3.8 223 692 A R B +M 177 0E 6 -46,-2.2 -46,-2.5 9,-0.2 2,-0.3 -0.996 21.1 146.7-136.7 140.1 -2.5 -4.6 -2.1 224 693 A L E -N 231 0F 3 7,-2.1 7,-3.1 -2,-0.3 2,-0.3 -0.948 22.2-149.7-156.8 178.4 -5.4 -6.9 -2.4 225 694 A E E -N 230 0F 33 -51,-2.4 2,-0.3 -2,-0.3 5,-0.2 -0.995 8.2-166.0-151.4 154.5 -8.2 -8.3 -0.4 226 695 A R E > S-N 229 0F 121 3,-1.8 3,-1.6 -2,-0.3 -52,-0.1 -0.926 83.1 -8.3-142.6 125.7 -10.4 -11.3 -0.0 227 696 A D T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.831 130.0 -56.5 57.7 37.3 -13.6 -11.3 2.2 228 697 A G T 3 S+ 0 0 50 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.482 107.6 127.4 77.5 3.3 -12.7 -7.9 3.5 229 698 A I E < -N 226 0F 117 -3,-1.6 -3,-1.8 2,-0.0 2,-0.3 -0.866 49.1-152.9 -92.6 115.5 -9.3 -9.1 4.8 230 699 A V E -N 225 0F 51 -2,-0.7 2,-0.5 -5,-0.2 -5,-0.2 -0.699 12.3-167.0 -95.4 136.2 -6.7 -6.7 3.2 231 700 A V E +N 224 0F 26 -7,-3.1 -7,-2.1 -2,-0.3 2,-0.3 -0.988 32.3 129.7-120.7 123.5 -3.1 -7.6 2.5 232 701 A F - 0 0 62 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.976 58.6 -99.8-162.4 169.8 -0.8 -4.7 1.7 233 702 A C - 0 0 35 -12,-0.4 2,-1.1 -11,-0.4 -2,-0.0 -0.928 34.0-141.5-103.6 114.1 2.4 -2.9 2.4 234 703 A D + 0 0 100 -2,-0.6 3,-0.3 1,-0.2 29,-0.0 -0.627 33.3 162.0 -77.5 101.7 1.9 0.0 4.8 235 704 A V > + 0 0 9 -2,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.109 35.6 115.9-103.6 23.1 4.2 2.8 3.5 236 705 A S T 3 S+ 0 0 28 1,-0.3 -1,-0.2 26,-0.0 -2,-0.0 0.839 84.0 38.7 -63.3 -29.9 2.5 5.6 5.3 237 706 A X T 3 S+ 0 0 173 -3,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.340 88.2 117.4-101.8 2.9 5.6 6.4 7.4 238 707 A D < - 0 0 70 -3,-1.3 4,-0.1 1,-0.2 -3,-0.1 -0.501 39.6-176.4 -71.0 139.8 8.1 5.7 4.6 239 708 A E S > S+ 0 0 65 -2,-0.2 3,-2.0 2,-0.1 4,-0.2 0.883 73.3 48.7 -96.9 -62.1 10.1 8.8 3.8 240 709 A D G > S+ 0 0 130 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.688 95.8 71.8 -56.9 -30.9 12.3 8.0 0.9 241 710 A L G 3 S+ 0 0 35 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.799 104.6 41.7 -58.4 -27.0 9.6 6.4 -1.3 242 711 A F G < S+ 0 0 15 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.397 103.1 66.2-105.5 7.3 8.1 9.8 -1.9 243 712 A T < + 0 0 103 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 0.127 69.0 125.8-117.4 21.3 11.2 11.9 -2.4 244 713 A G - 0 0 18 -3,-0.4 2,-0.3 6,-0.3 3,-0.0 -0.303 34.9-173.5 -74.6 162.7 12.6 10.5 -5.7 245 714 A D + 0 0 142 1,-0.1 3,-0.1 -2,-0.0 -2,-0.0 -0.964 47.7 54.8-150.2 164.2 13.4 12.5 -8.7 246 715 A G S S+ 0 0 74 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 0.499 96.8 57.3 93.5 5.2 14.5 12.3 -12.4 247 716 A D S >> S- 0 0 39 1,-0.1 3,-1.6 -3,-0.0 4,-0.6 -0.941 81.6-119.9-163.3 143.6 11.8 10.0 -13.8 248 717 A Y H >> S+ 0 0 49 -2,-0.3 4,-1.6 1,-0.3 3,-1.1 0.830 106.8 78.2 -58.8 -27.8 8.0 10.1 -13.9 249 718 A Q H 3> S+ 0 0 28 1,-0.3 4,-1.0 2,-0.2 3,-0.3 0.876 91.3 50.9 -43.4 -44.6 8.2 6.9 -11.9 250 719 A F H <> S+ 0 0 60 -3,-1.6 4,-1.0 1,-0.3 -6,-0.3 0.775 103.7 56.9 -78.0 -22.6 8.9 8.9 -8.7 251 720 A D H S+ 0 0 68 -4,-1.8 5,-1.2 -5,-0.2 4,-0.5 0.851 110.2 50.6 -67.3 -33.9 -0.3 9.2 -1.8 258 727 A K H ><5S+ 0 0 111 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.945 111.4 48.1 -64.6 -47.8 -2.4 12.1 -3.0 259 728 A E H 3<5S+ 0 0 70 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.865 121.2 34.3 -61.3 -40.8 -5.1 9.8 -4.3 260 729 A N H ><5S- 0 0 2 -4,-2.3 3,-2.4 -5,-0.1 -1,-0.2 0.302 100.8-125.0-101.9 9.3 -5.3 7.7 -1.1 261 730 A N T <<5S- 0 0 103 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.840 70.9 -62.3 45.8 40.4 -4.6 10.4 1.4 262 731 A N T 3 - 0 0 30 -2,-0.6 3,-2.2 -93,-0.1 4,-0.2 -0.747 12.3-178.8-129.8 85.9 -7.9 3.0 -4.9 269 738 A P T >> S+ 0 0 26 0, 0.0 3,-1.3 0, 0.0 4,-0.9 0.621 71.4 85.0 -67.3 -8.9 -7.8 1.3 -8.3 270 739 A Y H 3> S+ 0 0 55 1,-0.3 4,-2.5 2,-0.2 3,-0.2 0.807 76.5 70.9 -57.8 -26.0 -6.9 4.6 -9.8 271 740 A S H <> S+ 0 0 2 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.869 93.3 53.9 -60.7 -33.0 -3.3 3.7 -8.8 272 741 A N H <> S+ 0 0 1 -3,-1.3 4,-2.4 -4,-0.2 -1,-0.2 0.860 106.9 51.9 -65.4 -35.5 -3.3 1.1 -11.6 273 742 A V H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.2 -2,-0.2 0.926 107.2 52.4 -64.7 -43.1 -4.4 3.8 -14.0 274 743 A L H X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 111.2 47.1 -59.9 -43.9 -1.5 6.0 -12.9 275 744 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.904 110.3 51.4 -65.0 -40.6 1.0 3.1 -13.5 276 745 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.870 109.4 51.7 -63.7 -33.0 -0.5 2.4 -16.9 277 746 A H H X S+ 0 0 17 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.919 108.5 50.6 -66.9 -44.2 -0.1 6.2 -17.7 278 747 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.905 111.9 47.7 -60.7 -38.6 3.6 6.0 -16.6 279 748 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.875 110.8 50.7 -71.7 -36.2 4.0 2.9 -18.9 280 749 A T H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 108.6 53.1 -65.6 -40.1 2.3 4.6 -21.8 281 750 A D H X S+ 0 0 12 -4,-2.6 4,-2.1 1,-0.2 5,-0.4 0.911 108.2 50.1 -59.4 -44.9 4.6 7.6 -21.3 282 751 A K H X>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 4,-2.3 0.936 107.9 53.7 -59.0 -42.6 7.6 5.2 -21.5 283 752 A X H <5S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.896 117.7 36.6 -61.9 -35.7 6.3 3.7 -24.7 284 753 A L H <5S+ 0 0 43 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.723 129.9 26.5 -89.6 -22.8 6.0 7.1 -26.3 285 754 A K H <5S+ 0 0 137 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.726 129.9 22.7-117.2 -29.1 9.1 8.9 -24.9 286 755 A Q T <5S+ 0 0 72 -4,-2.3 -3,-0.2 -5,-0.4 -4,-0.1 0.740 97.7 84.3-116.6 -34.2 11.8 6.4 -24.0 287 756 A X < - 0 0 13 -5,-2.7 2,-0.4 -139,-0.0 -139,-0.2 -0.342 59.6-162.5 -67.6 149.0 11.2 3.2 -26.0 288 757 A T - 0 0 51 -141,-2.7 -138,-0.4 -136,-0.0 2,-0.3 -0.995 8.6-142.6-136.8 134.0 12.7 3.4 -29.5 289 758 A F - 0 0 21 -2,-0.4 -138,-0.2 1,-0.1 -137,-0.1 -0.675 17.5-131.1-107.3 147.8 11.6 1.0 -32.2 290 759 A K S S+ 0 0 148 -140,-2.1 2,-0.5 -2,-0.3 -138,-0.2 0.888 102.8 38.0 -62.4 -34.8 13.5 -0.7 -35.0 291 760 A T S S- 0 0 67 -140,-2.0 -138,-0.4 -141,-0.3 -1,-0.2 -0.968 81.4-146.2-121.5 128.0 10.9 0.5 -37.4 292 761 A K - 0 0 132 -2,-0.5 2,-0.6 -140,-0.1 7,-0.1 -0.286 42.3 -75.9 -80.5 173.1 9.2 3.8 -37.2 293 762 A C + 0 0 16 1,-0.1 -1,-0.1 5,-0.1 6,-0.0 -0.620 65.5 149.8 -77.6 116.2 5.6 4.6 -38.2 294 763 A N + 0 0 107 -2,-0.6 -1,-0.1 -3,-0.0 3,-0.1 0.076 45.7 64.5-140.6 14.1 5.6 4.6 -42.0 295 764 A T S >> S- 0 0 62 1,-0.1 4,-2.3 0, 0.0 3,-1.0 -0.964 84.7-110.1-136.2 159.7 2.2 3.5 -43.2 296 765 A P H 3> S+ 0 0 114 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.948 119.5 50.7 -50.6 -49.1 -1.3 5.0 -42.9 297 766 A A H 3> S+ 0 0 65 1,-0.2 4,-0.6 2,-0.2 -4,-0.0 0.710 115.3 43.1 -64.2 -22.2 -2.4 2.2 -40.5 298 767 A X H <> S+ 0 0 35 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.695 106.5 55.1 -97.9 -32.0 0.7 2.7 -38.3 299 768 A K H X S+ 0 0 127 -4,-2.3 4,-1.4 -3,-0.3 -2,-0.2 0.748 111.4 52.9 -70.4 -21.8 0.9 6.5 -38.1 300 769 A Q H X S+ 0 0 91 -4,-1.3 4,-2.1 -5,-0.4 -2,-0.2 0.808 101.9 54.3 -81.0 -38.6 -2.6 5.9 -36.8 301 770 A I H X S+ 0 0 30 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.922 109.2 51.5 -57.6 -41.3 -1.6 3.4 -34.2 302 771 A K H X S+ 0 0 86 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.899 108.4 49.5 -62.5 -43.4 0.7 6.1 -33.0 303 772 A R H X S+ 0 0 135 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.869 109.9 52.2 -63.1 -38.9 -2.0 8.7 -32.9 304 773 A K H X S+ 0 0 48 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.855 109.0 48.4 -66.7 -38.2 -4.2 6.3 -30.9 305 774 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.919 111.7 50.7 -68.8 -38.1 -1.5 5.6 -28.3 306 775 A Q H X S+ 0 0 78 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.897 109.7 50.3 -64.2 -39.7 -1.0 9.4 -28.0 307 776 A E H X S+ 0 0 52 -4,-2.2 4,-0.8 2,-0.2 5,-0.2 0.915 109.1 51.5 -61.2 -42.3 -4.7 9.8 -27.5 308 777 A F H >X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-1.1 0.937 107.1 55.0 -58.3 -48.2 -4.7 7.1 -24.8 309 778 A H H 3< S+ 0 0 36 -4,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.878 111.7 42.5 -55.3 -42.0 -1.9 9.0 -23.1 310 779 A R H 3< S+ 0 0 173 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.519 124.5 32.7 -89.9 -2.4 -3.9 12.2 -22.9 311 780 A T H X< S+ 0 0 32 -3,-1.1 3,-2.2 -4,-0.8 -2,-0.2 0.610 92.8 83.6-120.7 -22.6 -7.2 10.8 -21.9 312 781 A X G >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 -3,-0.1 0.753 78.8 68.0 -66.0 -25.6 -6.6 7.7 -19.7 313 782 A L G 3 S+ 0 0 54 -4,-0.4 -1,-0.3 1,-0.3 -39,-0.1 0.545 89.2 69.1 -71.3 -4.8 -6.1 9.6 -16.5 314 783 A N G < S+ 0 0 141 -3,-2.2 2,-0.3 -41,-0.1 -1,-0.3 0.158 84.9 90.5 -92.9 17.1 -9.8 10.4 -16.7 315 784 A F S < S- 0 0 33 -3,-1.6 -42,-0.1 -45,-0.1 3,-0.1 -0.854 71.5-141.5-113.8 151.0 -10.7 6.8 -16.0 316 785 A S S S- 0 0 84 -2,-0.3 2,-0.3 1,-0.1 -43,-0.1 0.586 72.7 -6.6 -92.0 -12.4 -11.2 5.4 -12.6 317 786 A S S > S- 0 0 17 -47,-0.1 4,-2.1 -45,-0.1 5,-0.1 -0.964 73.0 -95.5-171.3 164.0 -9.6 1.9 -12.8 318 787 A A H > S+ 0 0 0 -49,-0.3 4,-2.8 -2,-0.3 -150,-0.3 0.832 125.0 58.0 -62.3 -33.6 -8.0 -0.5 -15.2 319 788 A T H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 105.7 47.7 -60.2 -46.0 -11.4 -2.1 -15.5 320 789 A D H >>S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 5,-0.6 0.906 113.8 48.5 -61.6 -44.8 -12.9 1.2 -16.7 321 790 A L H X5S+ 0 0 0 -4,-2.1 4,-2.0 3,-0.2 7,-0.3 0.948 113.0 46.2 -61.4 -50.4 -10.1 1.7 -19.2 322 791 A L H <5S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.919 121.4 37.4 -56.8 -45.6 -10.4 -1.8 -20.6 323 792 A C H <5S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.722 131.4 23.9 -83.5 -22.0 -14.2 -1.7 -20.9 324 793 A Q H <5S+ 0 0 119 -4,-2.2 -3,-0.2 -5,-0.2 2,-0.2 0.678 88.8 103.4-119.5 -27.9 -14.6 1.9 -21.9 325 794 A H ><< - 0 0 3 -4,-2.0 3,-1.6 -5,-0.6 4,-0.0 -0.424 64.1-137.0 -69.3 134.7 -11.5 3.3 -23.6 326 795 A S G > S+ 0 0 70 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.719 97.0 73.3 -58.5 -26.1 -11.6 3.5 -27.4 327 796 A L G 3 S+ 0 0 5 1,-0.3 -1,-0.3 -23,-0.1 -166,-0.1 0.833 99.5 46.2 -60.8 -28.7 -8.1 2.1 -27.8 328 797 A F G < 0 0 25 -3,-1.6 -1,-0.3 -7,-0.3 -2,-0.2 0.209 360.0 360.0-104.1 14.8 -9.4 -1.3 -26.9 329 798 A K < 0 0 196 -3,-1.5 -5,-0.0 -5,-0.1 -6,-0.0 -0.541 360.0 360.0 -96.1 360.0 -12.5 -1.4 -29.2