==== 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 21-DEC-08 3FMD . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE HASPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.FILIPPAKOPOULOS,J.ESWARAN,T.KEATES,N.BURGESS-BROWN,O.FEDOR . 329 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 67.2 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 . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 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 . 2 0.6 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 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -4.7 -8.6 -25.7 -8.4 2 471 A G - 0 0 53 2,-0.0 93,-0.1 94,-0.0 95,-0.1 0.417 360.0 -46.1 60.4 158.0 -11.3 -23.1 -9.4 3 472 A P - 0 0 59 0, 0.0 93,-0.3 0, 0.0 127,-0.0 -0.059 58.8-139.2 -53.9 157.9 -13.7 -21.5 -6.9 4 473 A V B -a 96 0A 29 91,-2.6 93,-2.8 1,-0.1 2,-0.1 -0.747 21.1-101.7-110.0 163.0 -15.4 -23.7 -4.4 5 474 A P >> - 0 0 71 0, 0.0 3,-1.2 0, 0.0 4,-0.8 -0.387 34.9-106.7 -74.8 163.9 -19.0 -23.6 -3.1 6 475 A F H >> S+ 0 0 14 91,-0.3 4,-2.9 1,-0.3 3,-0.7 0.846 119.0 64.8 -58.8 -31.7 -19.9 -22.0 0.2 7 476 A S H 34 S+ 0 0 75 1,-0.3 -1,-0.3 2,-0.2 8,-0.1 0.763 89.9 64.8 -63.6 -27.9 -20.5 -25.6 1.5 8 477 A H H <4 S+ 0 0 107 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.934 115.6 29.9 -58.4 -43.4 -16.8 -26.4 1.0 9 478 A C H << S+ 0 0 14 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.865 131.2 36.4 -80.6 -38.2 -16.1 -23.7 3.7 10 479 A L S < S- 0 0 2 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.755 76.6-164.7-122.8 77.1 -19.3 -24.1 5.8 11 480 A P >> - 0 0 65 0, 0.0 4,-3.1 0, 0.0 3,-0.6 -0.276 45.8 -87.8 -56.2 162.4 -20.3 -27.7 5.9 12 481 A T H 3> S+ 0 0 108 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.795 127.8 42.7 -53.2 -46.0 -23.9 -28.0 7.0 13 482 A E H 3> S+ 0 0 121 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.875 116.4 47.6 -70.4 -36.2 -23.2 -28.2 10.8 14 483 A K H <4 S+ 0 0 30 -3,-0.6 4,-0.5 1,-0.2 3,-0.4 0.891 114.5 49.4 -63.4 -39.2 -20.6 -25.4 10.6 15 484 A L H >< S+ 0 0 27 -4,-3.1 3,-0.8 1,-0.2 -2,-0.2 0.868 105.9 54.8 -72.3 -36.4 -23.1 -23.4 8.6 16 485 A Q H 3< S+ 0 0 119 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.747 108.7 50.1 -66.1 -22.8 -26.0 -24.0 11.0 17 486 A R T 3< S+ 0 0 112 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.476 80.3 124.6 -98.9 -5.4 -23.9 -22.6 13.9 18 487 A C < + 0 0 13 -3,-0.8 2,-0.3 -4,-0.5 14,-0.2 -0.350 32.7 177.6 -55.3 129.1 -22.8 -19.4 12.3 19 488 A E E -B 31 0A 128 12,-2.0 12,-2.9 -2,-0.1 2,-0.2 -0.992 35.1-110.8-127.4 141.8 -23.6 -16.2 14.1 20 489 A K E +B 30 0A 14 87,-0.4 10,-0.3 -2,-0.3 3,-0.1 -0.497 38.2 170.1 -71.5 133.8 -22.6 -12.8 12.8 21 490 A I E - 0 0 60 8,-2.6 2,-0.3 1,-0.3 9,-0.2 0.601 57.3 -5.4-119.6 -16.1 -19.8 -11.1 14.9 22 491 A G E -B 29 0A 17 7,-1.6 7,-2.6 2,-0.0 -1,-0.3 -0.983 52.8-166.6-165.1 177.6 -18.6 -8.1 12.9 23 492 A E E +B 28 0A 52 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.946 7.4 168.8-158.7 169.4 -18.7 -6.2 9.7 24 493 A G E > -B 27 0A 20 3,-1.9 3,-1.7 -2,-0.3 -2,-0.0 -0.955 59.8 -76.5-169.8-176.1 -17.1 -3.5 7.6 25 494 A V T 3 S+ 0 0 84 -2,-0.3 30,-0.2 1,-0.3 -1,-0.1 0.921 126.7 64.9 -57.9 -39.0 -17.2 -2.0 4.2 26 495 A F T 3 S- 0 0 65 1,-0.1 19,-0.5 -3,-0.1 2,-0.3 0.719 116.7-101.4 -51.2 -27.8 -15.3 -5.1 3.2 27 496 A G E < -B 24 0A 6 -3,-1.7 -3,-1.9 17,-0.2 2,-0.3 -0.977 55.4 -26.9 139.4-136.7 -18.2 -7.4 4.1 28 497 A E E -BC 23 43A 4 15,-1.8 15,-2.7 -2,-0.3 2,-0.4 -0.915 31.4-152.6-135.4 147.1 -19.1 -9.7 7.0 29 498 A V E -BC 22 42A 24 -7,-2.6 -8,-2.6 -2,-0.3 -7,-1.6 -0.995 17.7-173.0-124.4 127.9 -17.5 -11.8 9.8 30 499 A F E -BC 20 41A 1 11,-2.3 11,-3.1 -2,-0.4 2,-0.5 -0.882 15.4-141.2-116.5 149.3 -19.3 -14.9 11.2 31 500 A Q E +BC 19 40A 55 -12,-2.9 -12,-2.0 -2,-0.3 2,-0.3 -0.933 27.3 167.7-105.2 130.1 -18.4 -17.1 14.1 32 501 A T E - C 0 39A 1 7,-1.7 7,-2.1 -2,-0.5 2,-0.4 -0.788 27.8-120.9-130.4-177.4 -18.8 -20.8 13.9 33 502 A I E + C 0 38A 56 -2,-0.3 2,-0.4 5,-0.2 -16,-0.1 -0.997 24.5 173.2-131.5 125.3 -17.7 -23.7 16.0 34 503 A A E > S- C 0 37A 41 3,-2.4 3,-1.3 -2,-0.4 -2,-0.0 -0.997 77.9 -4.9-126.5 132.3 -15.6 -26.7 15.0 35 504 A D T 3 S- 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.949 130.6 -56.3 49.6 53.7 -14.4 -29.2 17.6 36 505 A H T 3 S+ 0 0 176 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.635 118.4 109.6 59.6 21.3 -15.8 -27.1 20.4 37 506 A T E < -C 34 0A 80 -3,-1.3 -3,-2.4 0, 0.0 -1,-0.1 -0.986 65.9-125.2-133.3 132.0 -13.8 -24.1 19.3 38 507 A P E -C 33 0A 43 0, 0.0 100,-0.9 0, 0.0 2,-0.3 -0.407 23.4-171.5 -76.5 153.8 -14.9 -20.9 17.7 39 508 A V E -CD 32 137A 10 -7,-2.1 -7,-1.7 98,-0.2 2,-0.5 -0.952 19.4-130.3-134.7 157.1 -13.5 -19.6 14.4 40 509 A A E -CD 31 136A 13 96,-3.0 96,-3.5 -2,-0.3 2,-0.5 -0.955 18.5-162.4-115.5 126.2 -14.0 -16.3 12.7 41 510 A I E -CD 30 135A 1 -11,-3.1 -11,-2.3 -2,-0.5 2,-0.5 -0.953 0.4-162.7-116.8 110.7 -14.9 -16.3 9.0 42 511 A K E -CD 29 134A 14 92,-2.8 92,-2.5 -2,-0.5 2,-0.5 -0.836 6.3-165.1 -95.1 123.0 -14.4 -13.1 6.9 43 512 A I E -CD 28 133A 2 -15,-2.7 -15,-1.8 -2,-0.5 2,-0.4 -0.963 7.7-178.4-119.1 121.9 -16.4 -13.1 3.7 44 513 A I E - D 0 132A 5 88,-2.7 88,-2.8 -2,-0.5 2,-0.2 -0.987 21.7-135.7-127.0 118.4 -15.5 -10.5 1.1 45 514 A A E - D 0 131A 10 -19,-0.5 13,-0.6 -2,-0.4 2,-0.3 -0.531 31.0-176.3 -72.0 136.5 -17.2 -10.1 -2.3 46 515 A I E +eD 58 130A 2 84,-2.2 84,-0.7 -2,-0.2 13,-0.2 -0.928 48.8 11.5-133.5 160.0 -14.9 -9.6 -5.2 47 516 A E S S+ 0 0 102 11,-2.6 12,-0.1 -2,-0.3 84,-0.1 0.371 88.5 122.3 64.0 4.8 -14.9 -9.0 -9.0 48 517 A G - 0 0 19 10,-0.2 9,-0.5 82,-0.2 -1,-0.2 -0.485 65.0-128.4 -98.6 167.6 -18.6 -8.1 -9.1 49 518 A P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.746 71.7 105.0 -86.7 -20.8 -20.4 -4.9 -10.4 50 519 A D S S- 0 0 66 1,-0.1 7,-0.4 6,-0.1 2,-0.3 -0.292 74.8-120.3 -65.5 136.0 -22.6 -4.2 -7.4 51 520 A L - 0 0 95 5,-0.1 2,-0.5 3,-0.1 5,-0.2 -0.587 33.7-160.3 -59.0 132.4 -21.8 -1.4 -4.9 52 521 A V B > -G 55 0B 16 3,-3.3 3,-1.7 -2,-0.3 67,-0.0 -0.991 69.6 -15.1-124.9 119.9 -21.4 -3.3 -1.7 53 522 A N T 3 S- 0 0 23 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.846 130.5 -53.4 49.3 37.5 -21.7 -1.2 1.5 54 523 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 -29,-0.0 -1,-0.3 0.353 123.0 86.4 88.8 -3.5 -21.3 1.9 -0.6 55 524 A S B < S-G 52 0B 55 -3,-1.7 -3,-3.3 -30,-0.2 -1,-0.2 -0.899 79.8-104.8-122.1 156.5 -18.0 0.9 -2.3 56 525 A H - 0 0 139 -2,-0.3 -5,-0.1 -5,-0.2 2,-0.1 -0.446 45.9 -99.3 -73.9 152.7 -17.1 -1.1 -5.4 57 526 A Q - 0 0 20 -9,-0.5 -11,-0.2 -7,-0.4 -1,-0.1 -0.430 37.1-110.4 -73.2 145.4 -15.8 -4.6 -4.9 58 527 A K B -e 46 0A 66 -13,-0.6 -11,-2.6 -2,-0.1 -10,-0.2 -0.371 27.2-124.6 -68.1 149.7 -12.1 -5.3 -5.0 59 528 A T > - 0 0 50 -13,-0.2 4,-1.8 -12,-0.1 5,-0.2 -0.395 30.7-103.9 -81.0 169.4 -10.6 -7.3 -8.0 60 529 A F H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.946 125.4 55.0 -62.6 -41.3 -8.6 -10.4 -7.3 61 530 A E H 4 S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.910 111.1 47.0 -56.7 -39.3 -5.4 -8.4 -8.0 62 531 A E H 4 S+ 0 0 111 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.784 113.3 44.6 -74.7 -31.6 -6.6 -5.9 -5.3 63 532 A I H X S+ 0 0 2 -4,-1.8 4,-1.7 -3,-0.3 3,-0.3 0.633 93.5 83.7 -87.1 -18.0 -7.5 -8.5 -2.6 64 533 A L H X S+ 0 0 64 -4,-1.8 4,-3.3 1,-0.2 5,-0.3 0.881 83.0 57.2 -56.4 -46.6 -4.3 -10.5 -3.1 65 534 A P H > S+ 0 0 30 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.931 106.5 48.9 -56.1 -40.6 -2.1 -8.4 -0.8 66 535 A E H > S+ 0 0 8 -4,-0.3 4,-2.5 -3,-0.3 -2,-0.2 0.893 113.9 48.7 -63.1 -39.8 -4.4 -8.9 2.2 67 536 A I H X S+ 0 0 12 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.960 114.1 43.8 -62.4 -51.7 -4.4 -12.6 1.5 68 537 A I H X S+ 0 0 54 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.944 115.5 48.9 -58.3 -48.4 -0.6 -12.8 1.2 69 538 A I H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.3 5,-0.3 0.930 107.8 52.9 -63.5 -45.1 -0.1 -10.6 4.2 70 539 A S H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.916 112.5 46.4 -58.3 -40.2 -2.5 -12.6 6.4 71 540 A K H X S+ 0 0 102 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.929 111.9 49.7 -67.2 -45.4 -0.5 -15.9 5.5 72 541 A E H X S+ 0 0 30 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.952 112.9 45.1 -57.4 -51.4 2.9 -14.5 6.1 73 542 A L H < S+ 0 0 1 -4,-2.5 3,-0.4 1,-0.2 14,-0.3 0.857 112.4 51.5 -67.9 -34.4 2.1 -13.0 9.5 74 543 A S H >< S+ 0 0 22 -4,-1.9 3,-1.8 -5,-0.3 -1,-0.2 0.900 103.0 60.1 -63.5 -41.9 0.3 -16.2 10.6 75 544 A L H >< S+ 0 0 108 -4,-2.3 3,-2.4 1,-0.3 4,-0.3 0.748 83.6 81.8 -62.5 -20.7 3.3 -18.3 9.5 76 545 A L G >< S+ 0 0 3 -4,-0.9 8,-1.0 -3,-0.4 3,-0.9 0.764 79.8 67.6 -52.4 -26.5 5.5 -16.3 12.1 77 546 A S G < S+ 0 0 55 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.616 104.7 42.5 -70.5 -16.2 4.1 -18.7 14.8 78 547 A G G < S+ 0 0 63 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.325 95.5 99.1-108.4 5.6 6.0 -21.5 13.1 79 548 A E < - 0 0 94 -3,-0.9 4,-0.1 -4,-0.3 -3,-0.0 -0.268 57.8-148.1 -87.9 174.4 9.3 -19.8 12.4 80 549 A V S S+ 0 0 112 2,-0.1 3,-0.3 -2,-0.1 -1,-0.1 0.832 86.2 35.1-109.9 -53.2 12.6 -19.9 14.4 81 550 A C S S+ 0 0 78 1,-0.3 121,-2.9 120,-0.1 2,-0.5 0.868 132.2 26.0 -75.0 -41.8 14.6 -16.6 14.2 82 551 A N S S+ 0 0 16 118,-0.2 2,-0.4 119,-0.2 -1,-0.3 -0.926 86.1 160.8-129.8 96.4 11.7 -14.3 14.1 83 552 A R B +H 199 0C 59 116,-1.7 116,-2.4 -2,-0.5 2,-0.3 -0.979 3.4 145.6-126.7 134.4 8.7 -16.0 15.8 84 553 A T - 0 0 7 -8,-1.0 3,-0.2 -2,-0.4 -5,-0.1 -0.949 37.6-155.3-163.3 146.3 5.5 -14.7 17.3 85 554 A E + 0 0 100 112,-0.5 4,-0.1 -2,-0.3 -8,-0.1 0.187 69.4 109.7 -98.1 15.8 1.9 -15.8 17.7 86 555 A G + 0 0 6 129,-0.1 130,-2.2 76,-0.1 2,-0.3 0.515 62.0 71.8 -79.9 -7.5 0.9 -12.1 17.9 87 556 A F B S-j 216 0D 8 -14,-0.3 130,-0.2 128,-0.2 -10,-0.1 -0.771 101.1 -85.4-102.8 154.7 -0.9 -11.9 14.6 88 557 A I - 0 0 6 128,-2.5 2,-0.3 -2,-0.3 -1,-0.1 -0.298 46.0-114.0 -63.9 137.0 -4.2 -13.6 13.9 89 558 A G - 0 0 10 -4,-0.1 48,-2.6 48,-0.1 2,-0.8 -0.563 21.3-148.0 -66.7 127.4 -4.0 -17.2 12.9 90 559 A L E + F 0 136A 24 -2,-0.3 46,-0.2 46,-0.2 3,-0.1 -0.857 17.7 178.4 -95.0 102.4 -5.1 -18.0 9.3 91 560 A N E - 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0 0 2 -3,-0.6 11,-0.4 10,-0.1 2,-0.3 0.011 42.5-155.1 -70.5 162.6 -0.5 -3.2 5.3 223 692 A R B +M 177 0E 6 -46,-2.3 -46,-2.5 9,-0.2 2,-0.3 -0.993 22.7 143.5-137.0 142.5 2.9 -3.5 3.6 224 693 A L E -N 231 0F 2 7,-2.4 7,-3.0 -2,-0.3 2,-0.3 -0.952 24.2-145.5-160.0 174.6 5.7 -6.2 3.7 225 694 A E E -N 230 0F 28 -51,-2.5 2,-0.4 -2,-0.3 5,-0.2 -0.991 5.5-162.1-146.8 157.9 8.3 -7.9 1.6 226 695 A R E > S-N 229 0F 98 3,-1.7 3,-2.1 -2,-0.3 -52,-0.1 -0.973 83.2 -12.0-139.0 126.5 10.0 -11.3 1.0 227 696 A D T 3 S- 0 0 143 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.878 130.9 -52.4 51.4 43.6 13.2 -11.6 -0.9 228 697 A G T 3 S+ 0 0 49 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.379 108.2 125.6 79.9 -4.9 12.9 -8.0 -2.1 229 698 A I E < -N 226 0F 119 -3,-2.1 -3,-1.7 2,-0.0 2,-0.3 -0.799 49.8-149.9 -90.6 116.7 9.4 -8.5 -3.4 230 699 A V E -N 225 0F 52 -2,-0.7 2,-0.4 -5,-0.2 -5,-0.2 -0.648 14.3-171.3 -92.0 140.1 7.1 -5.8 -1.9 231 700 A V E +N 224 0F 24 -7,-3.0 -7,-2.4 -2,-0.3 2,-0.3 -0.996 28.8 131.9-127.0 124.5 3.4 -6.3 -1.3 232 701 A F - 0 0 67 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.945 56.5 -99.7-158.6 175.1 1.4 -3.2 -0.2 233 702 A C - 0 0 37 -12,-0.5 2,-1.0 -11,-0.4 -2,-0.0 -0.948 32.9-141.8-108.2 111.4 -1.7 -1.1 -0.7 234 703 A D + 0 0 97 -2,-0.6 3,-0.3 1,-0.2 29,-0.0 -0.635 34.1 160.0 -80.1 101.4 -1.0 2.0 -2.9 235 704 A V > + 0 0 11 -2,-1.0 3,-1.3 1,-0.2 -1,-0.2 0.187 36.1 115.7-104.7 17.1 -3.1 4.8 -1.3 236 705 A S T 3 S+ 0 0 25 1,-0.3 -1,-0.2 26,-0.1 -2,-0.0 0.779 83.5 39.8 -62.2 -28.9 -1.0 7.6 -2.8 237 706 A M T 3 S+ 0 0 172 -3,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.474 87.5 113.5 -93.1 -8.7 -4.0 8.8 -4.9 238 707 A D < - 0 0 66 -3,-1.3 4,-0.2 1,-0.2 -3,-0.1 -0.489 40.5-178.4 -68.3 128.0 -6.6 8.2 -2.1 239 708 A E S > S+ 0 0 69 -2,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.893 74.1 55.4 -88.2 -55.4 -8.0 11.7 -1.0 240 709 A D G > S+ 0 0 131 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.739 93.7 67.1 -51.1 -38.2 -10.4 10.6 1.8 241 710 A L G 3 S+ 0 0 33 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.791 105.8 41.7 -58.9 -32.8 -7.9 8.7 3.9 242 711 A F G < S+ 0 0 17 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.168 103.5 66.1-105.9 14.1 -5.9 11.8 4.8 243 712 A T S < S+ 0 0 103 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.1 -0.039 71.0 125.6-126.4 30.5 -8.8 14.2 5.5 244 713 A G - 0 0 20 -3,-0.4 2,-0.3 6,-0.3 10,-0.1 -0.369 33.7-177.6 -82.2 169.0 -10.4 12.6 8.5 245 714 A D + 0 0 135 -2,-0.1 -2,-0.1 1,-0.0 3,-0.0 -0.937 47.2 63.2-156.7 170.2 -11.1 14.4 11.8 246 715 A G S S+ 0 0 76 -2,-0.3 2,-0.3 2,-0.0 3,-0.0 0.334 98.3 51.8 88.8 -6.8 -12.4 13.9 15.4 247 716 A D S >> S- 0 0 37 1,-0.1 3,-1.8 0, 0.0 4,-0.7 -0.964 80.8-119.9-158.1 144.4 -9.8 11.4 16.5 248 717 A Y H >> S+ 0 0 49 -2,-0.3 4,-1.4 1,-0.3 3,-0.6 0.759 107.0 77.5 -51.4 -29.4 -6.0 11.1 16.6 249 718 A Q H 3> S+ 0 0 32 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.881 91.5 51.6 -44.4 -45.5 -6.4 8.0 14.4 250 719 A F H <> S+ 0 0 60 -3,-1.8 4,-1.0 1,-0.3 -6,-0.3 0.776 103.1 57.3 -78.2 -24.8 -7.0 10.3 11.5 251 720 A D H S+ 0 0 62 -4,-1.8 5,-1.4 2,-0.2 4,-0.5 0.848 110.4 49.7 -69.8 -35.4 2.1 10.2 4.4 258 727 A K H ><5S+ 0 0 113 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.942 112.5 48.1 -63.3 -49.8 4.5 12.9 5.7 259 728 A E H 3<5S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 120.8 35.3 -59.7 -42.0 7.0 10.2 6.8 260 729 A N H ><5S- 0 0 2 -4,-2.5 3,-2.0 -5,-0.1 -1,-0.2 0.399 101.8-127.1 -98.2 4.9 6.9 8.3 3.5 261 730 A N T <<5S- 0 0 100 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.819 71.0 -61.8 49.8 36.8 6.5 11.3 1.3 262 731 A N T 3 - 0 0 30 -2,-0.6 3,-2.3 -93,-0.1 4,-0.2 -0.805 13.6-177.1-131.5 84.6 9.2 3.2 6.9 269 738 A P T >> S+ 0 0 24 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.548 72.4 86.1 -66.6 -1.7 8.8 1.3 10.1 270 739 A Y H 3> S+ 0 0 54 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.835 75.8 71.9 -60.7 -26.5 8.3 4.6 11.9 271 740 A S H <> S+ 0 0 1 -3,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.862 93.2 53.1 -56.7 -35.0 4.6 4.0 10.8 272 741 A N H <> S+ 0 0 1 -3,-1.0 4,-2.3 -4,-0.2 -1,-0.2 0.895 106.9 51.3 -67.0 -40.7 4.5 1.2 13.5 273 742 A V H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.3 -2,-0.2 0.890 107.9 53.8 -58.4 -43.1 5.7 3.7 16.2 274 743 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.930 111.3 44.8 -59.0 -45.4 3.0 6.1 15.1 275 744 A W H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.886 111.3 51.8 -69.1 -37.1 0.3 3.5 15.6 276 745 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.833 109.4 52.1 -68.9 -32.2 1.7 2.3 18.9 277 746 A H H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 108.4 49.6 -65.0 -47.1 1.6 6.0 19.9 278 747 A Y H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.893 113.7 46.9 -54.6 -41.2 -2.0 6.2 18.9 279 748 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.903 110.2 51.3 -73.3 -40.1 -2.7 3.1 20.9 280 749 A T H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.904 108.3 53.5 -61.0 -42.0 -0.7 4.3 23.9 281 750 A D H X S+ 0 0 13 -4,-2.5 4,-1.7 1,-0.2 5,-0.3 0.892 108.4 49.4 -56.9 -42.2 -2.8 7.5 23.8 282 751 A K H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 5,-0.4 0.904 107.7 54.1 -66.0 -41.9 -6.0 5.4 23.8 283 752 A M H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.865 115.7 39.0 -57.3 -38.3 -4.8 3.4 26.8 284 753 A L H < S+ 0 0 53 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.667 130.2 26.3 -91.1 -18.4 -4.2 6.6 28.8 285 754 A K H < S+ 0 0 142 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.669 124.6 33.9-116.8 -25.3 -7.3 8.6 27.6 286 755 A Q S < S+ 0 0 78 -4,-2.8 2,-0.4 -5,-0.3 -3,-0.2 0.282 88.9 98.4-126.1 14.1 -10.1 6.3 26.6 287 756 A M - 0 0 20 -5,-0.4 2,-0.7 -4,-0.3 -139,-0.2 -0.882 50.9-159.9-104.6 130.5 -9.9 3.2 28.9 288 757 A T - 0 0 95 -141,-2.0 -138,-0.3 -2,-0.4 2,-0.2 -0.954 23.9-147.3-101.6 104.1 -12.1 2.9 32.1 289 758 A F - 0 0 33 -2,-0.7 -138,-0.2 1,-0.1 -137,-0.1 -0.496 11.7-136.0 -77.5 144.3 -10.1 0.3 34.2 290 759 A K S S+ 0 0 138 -140,-2.7 2,-0.3 -2,-0.2 -139,-0.2 0.700 89.7 47.4 -71.8 -23.2 -12.0 -2.0 36.4 291 760 A T S S- 0 0 63 -140,-2.1 2,-0.2 -141,-0.4 -2,-0.1 -0.827 89.3-109.6-117.6 160.3 -9.6 -1.5 39.2 292 761 A K - 0 0 142 -2,-0.3 2,-1.9 -140,-0.1 3,-0.1 -0.616 22.3-119.0 -91.5 147.9 -8.2 1.7 40.7 293 762 A C + 0 0 38 -2,-0.2 -1,-0.1 1,-0.2 -141,-0.0 -0.602 68.0 134.0 -82.1 78.6 -4.6 2.9 40.4 294 763 A N + 0 0 114 -2,-1.9 -1,-0.2 5,-0.0 3,-0.1 0.196 41.1 73.7-124.6 13.8 -4.2 2.8 44.2 295 764 A T S > S- 0 0 53 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.947 80.2-118.9-127.8 151.9 -0.9 1.0 44.9 296 765 A P H > S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.910 116.7 51.3 -57.0 -42.1 2.7 2.3 44.5 297 766 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.896 112.5 44.9 -59.9 -42.2 3.4 -0.4 42.0 298 767 A M H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 111.6 53.6 -72.8 -34.1 0.3 0.4 39.9 299 768 A K H X S+ 0 0 104 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.914 107.8 51.2 -64.0 -38.2 1.1 4.2 40.2 300 769 A Q H X S+ 0 0 81 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.899 106.7 52.2 -65.7 -42.0 4.6 3.5 38.9 301 770 A I H X S+ 0 0 31 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.912 108.5 53.4 -60.9 -38.9 3.3 1.5 35.8 302 771 A K H X S+ 0 0 88 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.912 109.1 47.1 -60.1 -45.8 1.0 4.5 35.1 303 772 A R H X S+ 0 0 113 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.884 110.0 54.4 -64.7 -40.6 4.0 6.9 35.1 304 773 A K H X S+ 0 0 38 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.848 109.4 46.1 -59.1 -39.3 5.9 4.5 32.9 305 774 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.852 111.6 51.4 -74.9 -34.3 3.2 4.4 30.3 306 775 A Q H X S+ 0 0 67 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 110.3 50.1 -66.3 -42.3 2.9 8.2 30.4 307 776 A E H X S+ 0 0 59 -4,-2.9 4,-0.8 2,-0.2 5,-0.2 0.923 109.3 52.4 -55.7 -44.8 6.7 8.4 29.9 308 777 A F H >X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-1.2 0.939 108.1 49.7 -54.1 -51.9 6.2 6.0 27.0 309 778 A H H 3< S+ 0 0 40 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.871 113.6 47.8 -55.6 -41.9 3.5 8.3 25.4 310 779 A R H 3< S+ 0 0 163 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.523 125.6 23.7 -76.8 -12.8 5.9 11.3 25.8 311 780 A T H X< S+ 0 0 52 -3,-1.2 3,-2.1 -4,-0.8 -2,-0.2 0.574 92.5 89.2-128.9 -22.9 9.1 9.7 24.3 312 781 A M G >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 -3,-0.1 0.753 79.1 67.2 -62.3 -27.2 8.2 6.9 22.0 313 782 A L G 3 S+ 0 0 50 -4,-0.3 -1,-0.3 1,-0.3 -39,-0.1 0.602 89.3 68.7 -70.7 -9.1 7.9 9.1 18.9 314 783 A N G < S+ 0 0 145 -3,-2.1 2,-0.3 -41,-0.1 -1,-0.3 0.135 86.1 86.5 -93.6 19.5 11.7 9.6 19.2 315 784 A F S < S- 0 0 38 -3,-1.5 -42,-0.1 -45,-0.1 3,-0.1 -0.820 73.2-136.8-115.5 161.0 12.4 6.0 18.2 316 785 A S S S- 0 0 87 -2,-0.3 2,-0.3 1,-0.1 -45,-0.1 0.580 73.0 -6.3-100.2 -7.3 12.7 4.6 14.7 317 786 A S S > S- 0 0 18 -47,-0.1 4,-1.9 1,-0.1 -47,-0.1 -0.949 72.5 -96.7-174.7 165.3 10.8 1.4 14.6 318 787 A A H > S+ 0 0 0 -49,-0.3 4,-2.7 -2,-0.3 5,-0.3 0.872 125.5 57.9 -66.3 -36.8 8.9 -1.0 16.8 319 788 A T H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 106.3 47.7 -58.1 -44.9 12.1 -3.0 16.9 320 789 A D H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.908 113.2 47.7 -63.3 -45.3 14.0 0.1 18.3 321 790 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 7,-0.3 0.922 113.0 47.8 -61.5 -45.7 11.4 0.8 21.0 322 791 A L H < S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 119.4 39.1 -67.3 -38.9 11.2 -2.9 22.1 323 792 A C H < S+ 0 0 54 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.763 131.8 22.8 -80.3 -29.1 15.0 -3.2 22.3 324 793 A Q H < S+ 0 0 118 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.672 89.1 106.3-114.2 -28.3 15.8 0.3 23.7 325 794 A H >< - 0 0 6 -4,-2.8 3,-1.4 -5,-0.4 4,-0.1 -0.369 62.3-138.7 -68.7 135.0 12.7 1.7 25.5 326 795 A S G > S+ 0 0 56 1,-0.2 3,-1.6 2,-0.2 -1,-0.1 0.721 95.1 76.1 -57.0 -28.7 12.9 1.8 29.3 327 796 A L G 3 S+ 0 0 3 1,-0.3 -1,-0.2 -23,-0.1 -5,-0.1 0.858 98.8 44.4 -54.0 -35.7 9.2 0.7 29.6 328 797 A F G < 0 0 29 -3,-1.4 -1,-0.3 -7,-0.3 -2,-0.2 0.236 360.0 360.0 -96.2 9.9 10.2 -2.9 28.7 329 798 A K < 0 0 189 -3,-1.6 -5,-0.0 -4,-0.1 -3,-0.0 -0.361 360.0 360.0 -97.9 360.0 13.3 -3.3 30.9