==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-FEB-09 2WB8 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE HASPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.VILLA,M.TORTORCI,F.FORNERIS,A.MATTEVI,A.MUSACCHIO . 351 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 16.8 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 1 0 1 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 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 . 0 2 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 1 447 A L > 0 0 174 0, 0.0 4,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.6 6.6 -3.8 -15.9 2 448 A G H > + 0 0 39 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.484 360.0 72.0 -91.8 -15.3 4.5 -5.9 -13.6 3 449 A S H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.939 98.8 45.0 -62.2 -45.4 6.3 -3.8 -10.9 4 450 A I H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.946 115.0 46.7 -61.9 -50.4 4.3 -0.8 -12.0 5 451 A E H X S+ 0 0 152 -4,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.808 113.6 50.2 -64.3 -31.9 1.0 -2.8 -12.0 6 452 A I H >X S+ 0 0 118 -4,-2.4 4,-1.4 2,-0.2 3,-0.9 0.962 113.2 41.6 -71.4 -52.4 1.7 -4.4 -8.7 7 453 A S H 3< S+ 0 0 72 -4,-2.4 4,-0.3 1,-0.3 -2,-0.2 0.844 111.7 56.9 -69.9 -32.7 2.6 -1.3 -6.7 8 454 A N H 3X S+ 0 0 102 -4,-2.3 4,-0.7 -5,-0.3 3,-0.3 0.733 108.9 48.8 -61.0 -25.5 -0.3 0.5 -8.4 9 455 A K H S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.914 106.9 56.2 -63.7 -43.7 -4.3 0.9 0.5 15 461 A E H 4 S+ 0 0 129 -4,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.658 105.3 52.1 -66.1 -22.6 -6.8 3.5 -0.8 16 462 A K H X S+ 0 0 96 -4,-1.4 4,-1.2 -3,-0.1 -1,-0.2 0.869 106.2 51.4 -81.9 -36.0 -9.8 1.3 0.0 17 463 A V H X S+ 0 0 0 -4,-1.2 4,-1.6 -5,-0.2 2,-0.5 0.940 106.4 67.6 -68.4 -47.9 -8.7 0.7 3.7 18 464 A Y H < S+ 0 0 38 -4,-2.1 6,-0.1 1,-0.3 99,-0.0 -0.859 107.4 25.4 -76.0 137.8 -8.4 4.4 4.0 19 465 A G H >4 S+ 0 0 42 -2,-0.5 3,-0.9 4,-0.2 -1,-0.3 -0.718 102.4 73.5-116.8 41.6 -11.1 5.6 3.8 20 466 A E H 3< S+ 0 0 35 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.1 0.730 114.9 44.0 -61.0 -27.4 -13.2 2.7 4.9 21 467 A C T 3< S- 0 0 6 -4,-1.6 -1,-0.2 -5,-0.2 -3,-0.1 0.262 121.7-124.9 -88.0 6.2 -11.3 4.3 7.9 22 468 A S S < S+ 0 0 114 -3,-0.9 2,-0.3 1,-0.2 -4,-0.1 0.887 71.1 127.2 41.4 45.3 -12.3 7.8 6.4 23 469 A Q - 0 0 24 -6,-0.1 2,-0.4 4,-0.0 -4,-0.2 -0.801 61.6-146.8-111.9 160.4 -8.6 8.5 6.5 24 470 A K S S- 0 0 216 1,-0.4 -9,-0.1 -2,-0.3 -2,-0.0 -0.816 81.4 -23.5-117.9 86.3 -6.4 9.8 3.7 25 471 A G S S- 0 0 16 -2,-0.4 -1,-0.4 -11,-0.2 93,-0.2 0.035 96.1 -42.6 100.7 161.6 -3.4 7.9 5.0 26 472 A P - 0 0 43 0, 0.0 93,-0.2 0, 0.0 127,-0.0 -0.279 49.8-157.1 -61.9 139.6 -1.9 6.4 8.2 27 473 A V E -b 119 0B 25 91,-1.9 93,-2.4 1,-0.1 -2,-0.0 -0.719 27.8 -94.0-107.2 161.3 -2.3 8.4 11.4 28 474 A P E >> -b 120 0B 73 0, 0.0 4,-0.8 0, 0.0 3,-0.8 -0.279 33.9-109.4 -65.4 164.9 -0.0 8.0 14.5 29 475 A F H >> S+ 0 0 16 91,-0.6 4,-3.5 1,-0.2 3,-0.9 0.888 118.0 61.2 -55.5 -43.9 -1.0 5.7 17.4 30 476 A S H 34 S+ 0 0 81 1,-0.3 -1,-0.2 2,-0.2 8,-0.1 0.653 93.8 64.4 -66.8 -16.8 -1.6 8.7 19.6 31 477 A H H <4 S+ 0 0 102 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.882 117.4 27.1 -65.6 -42.7 -4.3 9.9 17.2 32 478 A C H << S+ 0 0 11 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.1 0.838 136.5 31.9 -83.2 -37.2 -6.3 6.7 18.1 33 479 A L S < S- 0 0 3 -4,-3.5 -1,-0.2 -5,-0.1 -2,-0.2 -0.704 73.0-172.9-130.8 74.8 -4.9 6.4 21.6 34 480 A P > - 0 0 62 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.111 47.6 -90.1 -54.4 168.9 -3.9 9.6 23.3 35 481 A T H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 124.8 52.1 -53.8 -49.5 -2.1 9.2 26.6 36 482 A E H > S+ 0 0 134 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.891 114.2 42.9 -60.3 -42.5 -5.2 9.2 28.8 37 483 A K H >4 S+ 0 0 39 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.953 116.1 49.2 -61.0 -52.3 -6.8 6.4 26.8 38 484 A L H >< S+ 0 0 22 -4,-2.9 3,-0.9 1,-0.3 -2,-0.2 0.789 105.3 58.7 -58.6 -31.8 -3.5 4.6 26.6 39 485 A Q H 3< S+ 0 0 118 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.816 105.0 50.5 -71.3 -26.5 -3.0 5.0 30.3 40 486 A R T << S+ 0 0 104 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.370 83.8 119.1 -92.0 -1.6 -6.3 3.1 30.9 41 487 A C < + 0 0 14 -3,-0.9 2,-0.3 -4,-0.3 14,-0.2 -0.438 33.1 174.0 -66.3 139.1 -5.4 0.1 28.6 42 488 A E E -C 54 0B 121 12,-1.5 12,-2.9 -2,-0.1 2,-0.2 -0.941 39.8-111.4-138.7 129.6 -5.2 -3.3 30.2 43 489 A K E +C 53 0B 14 -2,-0.3 10,-0.3 87,-0.3 3,-0.1 -0.423 41.0 170.7 -62.4 125.9 -4.8 -6.3 27.8 44 490 A I E - 0 0 52 8,-3.2 2,-0.3 1,-0.3 9,-0.2 0.702 55.8 -1.0-111.7 -23.3 -7.9 -8.3 27.8 45 491 A G E -C 52 0B 18 7,-2.3 7,-2.4 2,-0.0 2,-0.3 -0.927 53.3-170.1-153.5 178.4 -7.5 -10.8 25.1 46 492 A E E +C 51 0B 49 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.967 7.3 167.5-160.8 164.1 -5.3 -12.1 22.3 47 493 A G E > -C 50 0B 19 3,-2.2 3,-1.4 -2,-0.3 -2,-0.0 -0.920 60.2 -78.9-161.2-174.6 -5.2 -14.4 19.3 48 494 A V T 3 S+ 0 0 89 -2,-0.3 30,-0.2 1,-0.3 3,-0.1 0.808 126.0 67.4 -56.9 -32.4 -2.9 -15.0 16.3 49 495 A F T 3 S- 0 0 58 1,-0.2 19,-0.4 18,-0.1 2,-0.4 0.764 117.3-100.7 -59.0 -31.2 -4.6 -11.9 14.8 50 496 A G E < -C 47 0B 6 -3,-1.4 -3,-2.2 17,-0.2 2,-0.3 -0.990 57.2 -25.3 145.6-131.6 -2.9 -9.7 17.5 51 497 A E E -CD 46 66B 6 15,-1.8 15,-3.4 -2,-0.4 2,-0.5 -0.873 32.3-152.8-134.2 146.7 -4.0 -8.1 20.7 52 498 A V E -CD 45 65B 27 -7,-2.4 -8,-3.2 -2,-0.3 -7,-2.3 -0.979 17.0-175.4-124.8 119.6 -7.1 -6.8 22.5 53 499 A F E -CD 43 64B 1 11,-2.9 11,-3.5 -2,-0.5 2,-0.4 -0.852 15.2-144.1-110.9 145.2 -6.9 -4.1 25.1 54 500 A Q E +CD 42 63B 46 -12,-2.9 -12,-1.5 -2,-0.3 9,-0.2 -0.871 37.0 137.5-103.2 139.8 -9.7 -2.7 27.2 55 501 A T E - D 0 62B 5 7,-2.7 7,-2.1 -2,-0.4 2,-0.4 -0.786 46.7 -85.7-151.0-159.1 -9.8 1.0 28.0 56 502 A I E + D 0 61B 79 -19,-0.3 2,-0.4 5,-0.3 -16,-0.1 -0.992 28.5 175.7-130.3 133.6 -12.1 4.0 28.3 57 503 A A E > S- D 0 60B 14 3,-2.8 3,-1.3 -2,-0.4 -2,-0.0 -0.999 78.9 -7.9-127.5 127.0 -13.4 6.5 25.7 58 504 A D T 3 S- 0 0 150 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.907 129.4 -54.5 53.6 47.1 -16.0 9.1 26.7 59 505 A H T 3 S+ 0 0 179 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.606 120.1 106.3 71.7 13.1 -16.6 7.6 30.2 60 506 A T E < S-D 57 0B 74 -3,-1.3 -3,-2.8 100,-0.0 -1,-0.2 -0.979 74.9-113.6-132.3 133.9 -17.3 4.3 28.6 61 507 A P E -D 56 0B 48 0, 0.0 100,-1.2 0, 0.0 2,-0.3 -0.434 37.8-177.7 -69.1 137.7 -15.2 1.0 28.4 62 508 A V E -DE 55 160B 1 -7,-2.1 -7,-2.7 98,-0.2 2,-0.4 -0.889 23.1-134.9-131.3 162.2 -14.1 0.0 24.9 63 509 A A E -DE 54 159B 12 96,-1.9 96,-3.0 -2,-0.3 2,-0.5 -0.947 18.5-158.5-117.5 131.1 -12.1 -2.9 23.5 64 510 A I E -DE 53 158B 1 -11,-3.5 -11,-2.9 -2,-0.4 2,-0.6 -0.985 1.3-159.5-121.2 123.4 -9.4 -2.1 21.1 65 511 A K E -DE 52 157B 10 92,-2.4 92,-2.3 -2,-0.5 2,-0.6 -0.897 7.3-160.4-108.1 121.9 -8.2 -4.8 18.7 66 512 A I E +DE 51 156B 2 -15,-3.4 -15,-1.8 -2,-0.6 2,-0.5 -0.892 10.8 179.3-113.9 124.4 -4.9 -4.2 17.3 67 513 A I E - E 0 155B 6 88,-2.7 88,-2.8 -2,-0.6 2,-0.3 -0.980 22.6-138.8-128.5 119.0 -3.8 -6.0 14.1 68 514 A A E - E 0 154B 10 -2,-0.5 13,-0.7 -19,-0.4 2,-0.3 -0.598 31.4-174.3 -70.4 131.1 -0.4 -5.5 12.5 69 515 A I E +fE 81 153B 0 84,-3.4 84,-0.7 -2,-0.3 13,-0.2 -0.930 48.6 10.0-127.7 153.6 -0.8 -5.4 8.7 70 516 A E S S+ 0 0 57 11,-2.5 12,-0.1 -2,-0.3 84,-0.1 0.348 86.0 122.4 74.2 -3.7 1.5 -5.2 5.7 71 517 A G - 0 0 12 82,-0.2 9,-0.5 10,-0.2 -1,-0.2 -0.537 64.6-128.2 -92.8 161.8 4.8 -5.9 7.4 72 518 A P S S+ 0 0 110 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.597 74.4 101.4 -85.8 -14.1 7.2 -8.8 6.6 73 519 A D S S- 0 0 61 1,-0.1 7,-0.3 6,-0.1 2,-0.2 -0.486 76.1-118.4 -74.0 138.1 7.6 -10.2 10.1 74 520 A L - 0 0 103 -2,-0.2 2,-0.5 5,-0.1 5,-0.2 -0.543 29.0-158.0 -65.3 136.1 5.7 -13.3 11.2 75 521 A V B > S-H 78 0C 18 3,-3.1 3,-1.7 -2,-0.2 67,-0.0 -0.983 70.9 -16.2-123.2 117.9 3.5 -12.4 14.1 76 522 A N T 3 S- 0 0 23 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.841 129.7 -52.2 60.3 35.5 2.4 -15.2 16.4 77 523 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -29,-0.0 -1,-0.3 0.222 120.6 95.5 89.5 -14.2 3.4 -17.8 13.7 78 524 A S B < S-H 75 0C 50 -3,-1.7 -3,-3.1 -30,-0.2 -1,-0.2 -0.792 76.4-106.3-115.8 156.8 1.4 -16.2 10.9 79 525 A H - 0 0 138 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.1 -0.384 45.8-103.3 -64.5 146.2 2.0 -13.8 8.0 80 526 A Q - 0 0 17 -9,-0.5 -11,-0.2 -7,-0.3 -1,-0.1 -0.519 38.8-106.9 -72.7 144.8 0.6 -10.3 8.4 81 527 A K B -f 69 0B 79 -13,-0.7 -11,-2.5 -2,-0.2 -10,-0.2 -0.387 32.3-129.3 -71.7 144.1 -2.6 -9.5 6.5 82 528 A T > - 0 0 35 -13,-0.2 4,-1.7 -12,-0.1 5,-0.2 -0.351 30.8 -97.4 -84.1 174.8 -2.3 -7.2 3.5 83 529 A F H > S+ 0 0 12 -73,-0.2 4,-0.7 1,-0.2 3,-0.1 0.910 128.3 50.3 -56.4 -37.0 -4.5 -4.2 2.8 84 530 A E H 4 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.845 111.8 44.4 -73.9 -34.8 -6.5 -6.5 0.6 85 531 A E H 4 S+ 0 0 99 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.683 110.2 54.5 -83.3 -18.6 -7.0 -9.3 3.2 86 532 A I H X S+ 0 0 4 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.628 87.5 83.0 -87.1 -16.0 -7.8 -7.0 6.1 87 533 A L H X S+ 0 0 25 -4,-0.7 4,-3.3 -3,-0.2 5,-0.2 0.878 81.4 58.2 -57.7 -52.6 -10.7 -5.2 4.3 88 534 A P H > S+ 0 0 22 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.908 106.3 47.2 -44.4 -56.7 -13.5 -7.7 5.0 89 535 A E H > S+ 0 0 8 -4,-0.4 4,-3.5 2,-0.2 5,-0.4 0.956 114.8 49.7 -53.7 -48.4 -13.3 -7.6 8.8 90 536 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.956 116.8 39.0 -50.6 -59.2 -13.2 -3.8 8.5 91 537 A I H X S+ 0 0 10 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.894 120.1 45.9 -60.8 -45.1 -16.2 -3.6 6.2 92 538 A I H X S+ 0 0 0 -4,-3.6 4,-3.0 -5,-0.2 5,-0.4 0.928 108.3 54.5 -67.5 -46.6 -18.1 -6.3 8.0 93 539 A S H X S+ 0 0 0 -4,-3.5 4,-1.3 -5,-0.3 -2,-0.2 0.932 112.8 47.9 -54.1 -41.0 -17.4 -4.9 11.5 94 540 A K H X S+ 0 0 53 -4,-2.1 4,-1.5 -5,-0.4 -2,-0.2 0.931 112.0 45.6 -59.0 -50.8 -18.9 -1.8 10.2 95 541 A E H < S+ 0 0 35 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.897 113.7 49.4 -68.6 -38.8 -22.0 -3.3 8.6 96 542 A L H >< S+ 0 0 2 -4,-3.0 3,-0.5 1,-0.2 4,-0.3 0.794 105.5 56.8 -73.0 -25.0 -22.8 -5.4 11.6 97 543 A S H >< S+ 0 0 19 -4,-1.3 3,-1.4 -5,-0.4 -1,-0.2 0.932 101.1 58.6 -68.6 -39.4 -22.5 -2.5 14.0 98 544 A L G >< S+ 0 0 97 -4,-1.5 3,-1.7 1,-0.3 -1,-0.2 0.616 83.3 83.4 -64.1 -18.5 -25.1 -0.6 12.1 99 545 A L G X S+ 0 0 2 -3,-0.5 8,-0.9 -4,-0.5 3,-0.8 0.748 80.3 64.2 -55.4 -28.7 -27.7 -3.3 12.7 100 546 A S G < S+ 0 0 50 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.1 0.669 109.1 39.5 -70.5 -17.4 -28.5 -1.9 16.1 101 547 A G G < S+ 0 0 61 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.200 93.8 104.9-119.3 9.7 -29.8 1.3 14.5 102 548 A E < - 0 0 98 -3,-0.8 4,-0.0 -4,-0.2 -3,-0.0 -0.375 59.6-142.8 -87.3 172.8 -31.6 -0.1 11.5 103 549 A V S S+ 0 0 119 -2,-0.1 3,-0.2 2,-0.1 122,-0.1 0.905 85.7 31.1-104.7 -67.6 -35.4 -0.4 11.2 104 550 A C S S+ 0 0 78 1,-0.3 121,-2.7 120,-0.1 2,-0.6 0.916 131.0 31.4 -66.8 -48.6 -36.7 -3.6 9.5 105 551 A N S S+ 0 0 14 119,-0.2 2,-0.4 118,-0.2 -1,-0.3 -0.942 82.8 161.9-114.0 111.6 -33.8 -5.8 10.6 106 552 A R B +I 222 0D 58 116,-2.3 116,-3.2 -2,-0.6 2,-0.3 -0.984 6.6 151.8-138.2 134.0 -32.5 -4.7 13.9 107 553 A T - 0 0 6 -8,-0.9 3,-0.2 -2,-0.4 -5,-0.2 -0.971 33.0-158.3-157.1 147.1 -30.4 -6.4 16.6 108 554 A E S S+ 0 0 88 112,-0.4 4,-0.1 -2,-0.3 -8,-0.1 0.157 71.1 104.9-105.4 13.6 -27.9 -5.3 19.3 109 555 A G + 0 0 5 129,-0.1 130,-3.0 76,-0.1 2,-0.3 0.451 67.2 69.3 -77.9 -4.2 -26.4 -8.9 19.3 110 556 A F B S-k 239 0E 10 128,-0.3 2,-0.2 -14,-0.2 130,-0.2 -0.753 98.3 -90.0-104.0 162.7 -23.3 -7.8 17.5 111 557 A I - 0 0 5 128,-1.7 2,-0.2 -2,-0.3 -2,-0.1 -0.482 39.7-122.8 -76.4 137.5 -20.5 -5.6 18.9 112 558 A G - 0 0 8 -2,-0.2 48,-2.5 -4,-0.1 2,-0.5 -0.508 20.6-143.5 -74.6 143.5 -20.9 -1.9 18.3 113 559 A L E - G 0 159B 27 46,-0.2 46,-0.2 -2,-0.2 3,-0.1 -0.981 19.0-177.8-113.0 126.5 -18.0 -0.2 16.5 114 560 A N E - 0 0 79 44,-3.0 2,-0.3 -2,-0.5 45,-0.2 0.882 69.1 -31.9 -82.0 -46.2 -17.0 3.3 17.5 115 561 A S E - G 0 158B 35 43,-1.3 43,-2.9 2,-0.0 -1,-0.4 -0.976 45.7-141.8-166.8 164.1 -14.3 3.6 14.9 116 562 A V E - G 0 157B 9 -2,-0.3 2,-0.4 41,-0.2 41,-0.2 -0.989 25.2-179.8-135.6 123.6 -11.6 1.9 12.8 117 563 A H E - G 0 156B 38 39,-2.4 39,-2.6 -2,-0.4 2,-0.7 -0.917 31.0-134.6-127.1 152.7 -8.2 3.4 12.0 118 564 A C E - G 0 155B 0 -2,-0.4 -91,-1.9 37,-0.2 2,-0.3 -0.935 38.1-170.1 -98.9 114.9 -5.1 2.5 10.1 119 565 A V E -bG 27 154B 0 35,-3.1 35,-2.8 -2,-0.7 2,-0.4 -0.717 11.5-150.7-115.2 149.6 -2.3 3.5 12.5 120 566 A Q E +bG 28 153B 80 -93,-2.4 -91,-0.6 -2,-0.3 2,-0.2 -0.984 44.6 57.4-132.2 128.4 1.5 3.8 11.9 121 567 A G S S- 0 0 11 31,-2.5 30,-0.1 -2,-0.4 29,-0.1 -0.840 78.7 -53.3 148.6 173.9 4.4 3.3 14.4 122 568 A S S S- 0 0 63 -2,-0.2 -93,-0.1 1,-0.1 27,-0.1 -0.322 76.3 -74.0 -70.1 166.8 6.1 1.1 16.9 123 569 A Y - 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0 0 5 -15,-2.5 3,-1.9 -2,-0.3 -14,-0.1 0.758 1.6-153.5 -69.1 -27.5 -32.5 -11.9 29.0 233 679 A C T 3 S- 0 0 69 -16,-0.5 -1,-0.1 1,-0.2 -16,-0.1 0.767 74.8 -64.5 41.5 25.4 -31.9 -14.2 32.0 234 680 A G T 3 S+ 0 0 27 -18,-0.5 -20,-1.7 1,-0.2 2,-0.4 0.540 114.5 94.8 89.9 10.4 -29.7 -11.3 32.9 235 681 A L E < - M 0 213E 17 -3,-1.9 2,-0.5 -22,-0.3 -22,-0.2 -0.994 55.4-150.4-133.7 142.5 -27.1 -11.3 30.1 236 682 A Q E - M 0 212E 46 -24,-2.9 -24,-1.8 -2,-0.4 2,-0.4 -0.964 18.9-147.1-107.3 126.9 -26.7 -9.7 26.8 237 683 A V E - M 0 211E 0 -2,-0.5 2,-0.4 -26,-0.2 -26,-0.2 -0.741 11.5-168.3 -88.5 136.2 -24.8 -11.7 24.2 238 684 A S E - M 0 210E 10 -28,-2.3 -28,-2.8 -2,-0.4 2,-0.5 -0.986 14.0-142.7-121.6 132.1 -22.6 -9.8 21.7 239 685 A I E +kM 110 209E 0 -130,-3.0 -128,-1.7 -2,-0.4 2,-0.2 -0.874 31.3 175.7 -93.7 126.7 -21.2 -11.7 18.7 240 686 A I + 0 0 39 -32,-2.0 -32,-0.0 -2,-0.5 -33,-0.0 -0.701 32.7 55.2-120.7 176.9 -17.7 -10.6 17.8 241 687 A D - 0 0 18 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 0.993 40.1-172.6 68.2 91.7 -14.7 -11.2 15.5 242 688 A Y > + 0 0 1 1,-0.2 3,-0.9 2,-0.1 -150,-0.1 0.035 44.0 124.8-104.3 25.9 -15.6 -11.1 11.8 243 689 A T T 3 S+ 0 0 31 1,-0.2 -1,-0.2 -40,-0.1 -154,-0.2 0.760 85.6 28.5 -56.0 -32.9 -12.3 -12.3 10.5 244 690 A L T 3 S+ 0 0 19 -3,-0.4 12,-0.4 -43,-0.3 -1,-0.2 0.375 98.5 126.2-108.4 2.9 -13.8 -15.2 8.5 245 691 A S < - 0 0 0 -3,-0.9 11,-1.0 10,-0.1 2,-0.4 0.051 39.5-159.7 -73.7 169.5 -17.3 -13.7 7.8 246 692 A R E +NO 200 255F 8 -46,-2.1 -46,-2.4 9,-0.2 2,-0.3 -0.995 23.3 136.2-146.0 138.6 -19.3 -13.1 4.7 247 693 A L E - O 0 254F 0 7,-2.4 7,-3.4 -2,-0.4 2,-0.3 -0.940 44.5-109.1-157.5-178.1 -22.1 -10.8 3.8 248 694 A E E - O 0 253F 33 -51,-2.9 5,-0.2 -2,-0.3 -49,-0.0 -0.946 17.7-163.4-117.5 144.3 -23.3 -8.5 0.9 249 695 A R S S- 0 0 93 3,-1.6 -1,-0.1 -2,-0.3 4,-0.1 0.933 84.1 -22.3 -90.9 -63.2 -23.3 -4.7 1.3 250 696 A D S S- 0 0 162 2,-0.1 -2,-0.1 -53,-0.0 3,-0.0 0.562 129.6 -44.6 -99.8 -81.7 -25.5 -3.4 -1.4 251 697 A G S S+ 0 0 50 2,-0.0 2,-0.6 -3,-0.0 -3,-0.0 -0.141 112.2 113.2-136.0 32.9 -25.2 -6.4 -3.7 252 698 A I - 0 0 120 2,-0.0 -3,-1.6 0, 0.0 2,-0.3 -0.939 65.4-130.8-109.6 120.5 -21.4 -6.8 -3.4 253 699 A V E -O 248 0F 51 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.3 -0.526 23.2-170.6 -71.6 128.4 -20.2 -10.0 -1.6 254 700 A V E +O 247 0F 14 -7,-3.4 -7,-2.4 -2,-0.3 2,-0.3 -0.975 25.7 129.2-119.2 127.7 -17.7 -9.2 1.1 255 701 A F E -O 246 0F 54 -2,-0.4 2,-1.0 -9,-0.2 -9,-0.2 -0.995 61.3 -90.1-168.4 166.5 -15.8 -12.2 2.6 256 702 A C - 0 0 28 -11,-1.0 2,-0.8 -12,-0.4 -171,-0.1 -0.807 39.5-145.1 -88.9 98.8 -12.7 -14.0 3.7 257 703 A D + 0 0 101 -2,-1.0 3,-0.2 1,-0.2 29,-0.0 -0.565 32.4 162.5 -64.3 104.6 -11.6 -16.1 0.7 258 704 A V > + 0 0 5 -2,-0.8 3,-2.6 1,-0.1 -1,-0.2 0.210 35.6 117.6-108.4 9.1 -10.1 -19.2 2.4 259 705 A S T 3 S+ 0 0 28 1,-0.3 -1,-0.1 26,-0.0 -2,-0.1 0.502 84.4 38.6 -50.6 -10.4 -10.4 -21.3 -0.8 260 706 A M T 3 S+ 0 0 177 -3,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.198 93.6 104.7-129.4 8.0 -6.6 -21.6 -0.7 261 707 A D < + 0 0 68 -3,-2.6 -3,-0.1 1,-0.1 0, 0.0 -0.580 35.3 170.5 -84.5 151.5 -6.1 -22.1 3.0 262 708 A E > + 0 0 145 -2,-0.2 3,-1.0 2,-0.0 4,-0.2 0.542 68.8 64.1-127.9 -34.3 -5.3 -25.5 4.4 263 709 A D G > S+ 0 0 130 1,-0.2 3,-0.6 2,-0.2 -2,-0.0 0.726 97.9 61.3 -61.8 -23.7 -4.4 -25.1 8.1 264 710 A L G 3 S+ 0 0 35 1,-0.2 3,-0.4 -6,-0.1 -1,-0.2 0.827 106.4 45.1 -73.1 -30.5 -7.9 -23.9 8.8 265 711 A F G < S+ 0 0 14 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.297 105.3 60.9-101.2 10.1 -9.4 -27.1 7.7 266 712 A T S < S+ 0 0 86 -3,-0.6 -1,-0.2 -4,-0.2 2,-0.1 -0.116 70.7 128.4-129.5 34.2 -7.0 -29.5 9.5 267 713 A G - 0 0 15 -3,-0.4 2,-0.3 6,-0.3 3,-0.1 -0.445 31.9-175.7 -83.8 165.0 -7.5 -28.7 13.2 268 714 A D + 0 0 137 -2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.927 48.6 61.6-149.8 174.6 -8.3 -31.2 16.0 269 715 A G S S+ 0 0 84 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.631 99.3 59.4 80.6 14.6 -9.1 -31.6 19.7 270 716 A D S > S- 0 0 38 -3,-0.1 3,-1.3 1,-0.1 4,-0.4 -0.919 80.7-124.6-168.0 143.1 -12.3 -29.7 19.5 271 717 A Y T >> S+ 0 0 52 -2,-0.3 3,-1.1 1,-0.2 4,-1.1 0.744 104.6 79.4 -59.6 -22.1 -15.6 -29.9 17.6 272 718 A Q H 3> S+ 0 0 24 1,-0.3 4,-1.0 2,-0.2 3,-0.4 0.857 88.3 54.2 -54.5 -37.1 -14.8 -26.3 16.5 273 719 A F H <> S+ 0 0 56 -3,-1.3 4,-1.0 1,-0.2 -6,-0.3 0.659 100.5 58.7 -80.6 -17.2 -12.4 -27.7 13.9 274 720 A D H <> S+ 0 0 69 -3,-1.1 4,-2.7 -4,-0.4 -1,-0.2 0.766 97.6 61.6 -74.2 -29.8 -15.0 -30.0 12.3 275 721 A I H X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.4 5,-0.2 0.939 100.5 52.4 -65.3 -43.3 -17.2 -27.0 11.5 276 722 A Y H X S+ 0 0 9 -4,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.948 113.4 45.9 -55.2 -49.2 -14.5 -25.5 9.3 277 723 A R H X S+ 0 0 81 -4,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.860 111.8 49.9 -59.9 -44.6 -14.4 -28.8 7.4 278 724 A L H X S+ 0 0 64 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.856 110.5 50.5 -63.7 -38.2 -18.2 -29.1 7.2 279 725 A M H X S+ 0 0 5 -4,-2.7 4,-2.0 2,-0.2 6,-0.2 0.917 111.5 48.0 -63.6 -45.7 -18.5 -25.6 5.8 280 726 A K H X>S+ 0 0 70 -4,-2.1 5,-1.5 -5,-0.2 4,-0.6 0.939 114.5 45.7 -63.5 -47.2 -15.9 -26.3 3.2 281 727 A K H ><5S+ 0 0 155 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.937 114.0 49.2 -59.3 -47.7 -17.6 -29.5 2.2 282 728 A E H 3<5S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.763 121.3 34.2 -67.2 -25.8 -21.0 -27.9 2.2 283 729 A N H ><5S- 0 0 2 -4,-2.0 3,-2.5 -3,-0.2 -1,-0.2 0.212 104.9-123.0-112.5 11.3 -19.9 -24.9 0.0 284 730 A N T <<5 - 0 0 98 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.762 67.1 -63.3 56.1 31.5 -17.3 -26.8 -2.1 285 731 A N T 3 + 0 0 34 -2,-0.7 3,-2.3 -4,-0.1 4,-0.2 -0.742 11.4 177.5-136.1 84.9 -24.7 -20.8 2.9 292 738 A P T >> S+ 0 0 27 0, 0.0 3,-1.6 0, 0.0 4,-0.8 0.655 74.7 79.2 -67.5 -19.8 -26.7 -19.7 6.0 293 739 A Y H >> S+ 0 0 57 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.789 79.0 71.0 -53.4 -27.8 -26.7 -23.3 7.1 294 740 A S H <> S+ 0 0 1 -3,-2.3 4,-1.6 1,-0.3 -1,-0.3 0.848 93.6 53.9 -60.3 -34.5 -23.1 -22.5 8.2 295 741 A N H <> S+ 0 0 0 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.799 106.2 52.5 -64.2 -31.5 -24.7 -20.4 11.0 296 742 A V H S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 5,-0.7 0.944 108.7 51.1 -50.8 -54.6 -20.5 -26.6 24.3 306 752 A M H <5S+ 0 0 5 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.849 117.6 38.7 -49.7 -43.9 -23.5 -25.7 26.5 307 753 A L H <5S+ 0 0 31 -4,-2.0 -1,-0.2 -3,-0.1 -2,-0.2 0.828 129.5 26.9 -78.3 -34.1 -24.4 -29.4 27.0 308 754 A K H <5S+ 0 0 147 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.746 128.5 30.2-104.1 -26.6 -20.9 -30.9 27.3 309 755 A Q T <5S+ 0 0 55 -4,-3.1 2,-0.5 -5,-0.4 -3,-0.2 0.353 87.8 100.4-126.6 1.6 -18.6 -28.2 28.6 310 756 A M < - 0 0 20 -5,-0.7 2,-0.6 -4,-0.4 -139,-0.2 -0.811 47.6-165.5 -93.3 129.6 -20.7 -25.8 30.8 311 757 A T - 0 0 83 -141,-2.2 -138,-0.2 -2,-0.5 2,-0.2 -0.939 18.6-152.8-113.5 107.9 -20.5 -26.3 34.6 312 758 A F - 0 0 42 -2,-0.6 -138,-0.2 1,-0.1 -137,-0.1 -0.484 21.1-138.7 -88.0 148.5 -23.4 -24.4 36.2 313 759 A K 0 0 142 -140,-1.2 -139,-0.2 -2,-0.2 -138,-0.1 0.774 360.0 360.0 -72.4 -30.0 -23.6 -22.9 39.6 314 760 A T 0 0 85 -140,-2.9 -139,-0.2 -141,-0.3 -140,-0.1 0.744 360.0 360.0-103.2 360.0 -27.2 -24.2 39.9 315 ! 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 0.0 316 762 A C 0 0 83 0, 0.0 -141,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 127.5 -29.3 -30.1 38.3 317 763 A N + 0 0 59 1,-0.0 -142,-0.0 0, 0.0 0, 0.0 0.632 360.0 18.7 120.3-149.1 -31.3 -28.9 40.1 318 764 A T >> - 0 0 64 1,-0.1 4,-2.4 0, 0.0 3,-1.5 -0.801 65.4-110.7-115.1 151.5 -35.1 -28.7 39.6 319 765 A P H 3> S+ 0 0 112 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.819 120.1 63.5 -38.2 -34.5 -37.6 -30.6 37.5 320 766 A A H 3> S+ 0 0 53 2,-0.2 4,-1.4 1,-0.2 5,-0.0 0.884 107.7 36.5 -60.9 -43.0 -37.8 -27.2 35.7 321 767 A M H <> S+ 0 0 24 -3,-1.5 4,-3.6 2,-0.2 -1,-0.2 0.807 109.6 61.8 -87.1 -35.7 -34.1 -27.3 34.5 322 768 A K H X S+ 0 0 94 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.944 107.1 48.2 -43.2 -54.6 -34.1 -31.0 33.9 323 769 A Q H X S+ 0 0 86 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.916 110.9 48.0 -58.0 -46.9 -36.8 -30.1 31.3 324 770 A I H X S+ 0 0 24 -4,-1.4 4,-2.2 2,-0.2 5,-0.3 0.937 110.6 52.7 -60.9 -48.0 -34.8 -27.3 29.8 325 771 A K H >X S+ 0 0 81 -4,-3.6 4,-2.5 1,-0.2 3,-0.7 0.967 107.8 51.1 -45.1 -58.7 -31.9 -29.6 29.6 326 772 A R H 3X S+ 0 0 151 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.822 111.1 50.3 -49.5 -38.7 -34.2 -32.1 27.8 327 773 A K H 3X S+ 0 0 71 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.800 108.5 47.9 -71.7 -35.1 -35.1 -29.3 25.4 328 774 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 3,-0.8 0.947 108.1 50.3 -56.9 -47.6 -32.6 -28.8 20.1 332 778 A H H 3< S+ 0 0 28 -4,-3.4 4,-0.3 1,-0.2 -1,-0.2 0.835 112.9 46.3 -58.9 -39.7 -29.1 -30.3 19.6 333 779 A R H 3< S+ 0 0 168 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.592 123.3 31.3 -81.8 -15.1 -30.5 -33.4 17.9 334 780 A T H X< S+ 0 0 34 -4,-1.1 3,-2.2 -3,-0.8 -2,-0.2 0.672 91.2 86.3-118.5 -22.8 -32.9 -31.6 15.6 335 781 A M G >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.3 -3,-0.1 0.719 80.1 66.9 -59.7 -25.6 -31.4 -28.2 14.7 336 782 A L G 3 S+ 0 0 50 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.559 87.6 70.7 -73.4 -9.3 -29.4 -29.5 11.8 337 783 A N G < S+ 0 0 135 -3,-2.2 2,-0.3 2,-0.0 -1,-0.3 -0.151 86.2 83.8 -94.0 31.0 -32.6 -30.2 10.0 338 784 A F S < S- 0 0 37 -3,-0.7 -42,-0.1 -45,-0.1 3,-0.1 -0.921 75.2-134.5-132.4 156.0 -33.2 -26.4 9.5 339 785 A S S S- 0 0 84 -2,-0.3 2,-0.3 1,-0.2 -46,-0.1 0.676 74.1 -8.9 -95.0 -8.9 -31.8 -24.3 6.7 340 786 A S S > S- 0 0 17 -47,-0.1 4,-2.5 -45,-0.1 -47,-0.2 -0.948 73.0 -93.8-174.2 161.6 -30.6 -21.1 8.5 341 787 A A H > S+ 0 0 0 -49,-0.4 4,-3.2 -2,-0.3 -150,-0.2 0.849 128.3 57.6 -59.2 -32.7 -30.6 -19.3 11.9 342 788 A T H > S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.881 106.7 46.2 -63.8 -42.4 -33.7 -17.6 10.4 343 789 A D H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 5,-0.4 0.910 116.5 47.1 -62.6 -44.5 -35.4 -21.0 9.9 344 790 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 7,-0.3 0.933 111.1 47.9 -65.3 -51.1 -34.4 -21.9 13.4 345 791 A L H < S+ 0 0 10 -4,-3.2 -1,-0.2 -158,-0.2 -2,-0.2 0.910 119.7 39.1 -51.6 -49.1 -35.5 -18.8 15.1 346 792 A C H < S+ 0 0 50 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.705 129.2 25.6 -82.1 -23.3 -38.8 -18.8 13.4 347 793 A Q H < S+ 0 0 116 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.675 87.6 104.5-119.0 -23.6 -39.6 -22.5 13.5 348 794 A H >< - 0 0 2 -4,-2.5 3,-1.6 -5,-0.4 4,-0.1 -0.451 63.0-139.2 -74.9 138.2 -37.8 -24.2 16.3 349 795 A S G > S+ 0 0 66 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.668 98.0 73.8 -66.4 -18.6 -39.9 -25.2 19.3 350 796 A L G 3 S+ 0 0 3 1,-0.2 -1,-0.3 -6,-0.1 -166,-0.1 0.828 99.2 45.2 -63.3 -31.3 -37.0 -24.1 21.5 351 797 A F G < 0 0 22 -3,-1.6 -1,-0.2 -7,-0.3 -2,-0.2 0.248 360.0 360.0-102.5 14.8 -37.9 -20.5 20.8 352 798 A K < 0 0 193 -3,-1.2 -5,-0.0 -4,-0.1 -3,-0.0 -0.456 360.0 360.0-100.7 360.0 -41.7 -20.6 21.2