==== 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 19-AUG-08 3E7V . 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 . 328 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 18.3 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 . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 28.4 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 0 2 0 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 1 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 3 0 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 1 471 A G 0 0 117 0, 0.0 93,-0.2 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 177.4 9.3 -29.3 10.4 2 472 A P - 0 0 51 0, 0.0 93,-0.3 0, 0.0 127,-0.0 -0.188 360.0-128.1 -67.2 165.4 11.5 -28.0 7.5 3 473 A V E -a 95 0A 39 91,-2.6 93,-2.5 1,-0.1 5,-0.0 -0.798 30.0 -99.8-107.1 157.1 12.8 -30.2 4.7 4 474 A P E >> -a 96 0A 77 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.390 35.9-108.9 -70.4 160.0 16.5 -30.3 3.8 5 475 A F H >> S+ 0 0 16 91,-0.7 4,-3.3 1,-0.3 3,-0.7 0.871 117.3 67.1 -54.1 -40.5 17.5 -28.3 0.8 6 476 A S H 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.2 8,-0.1 0.766 91.2 63.3 -51.6 -31.4 18.0 -31.5 -1.2 7 477 A H H <4 S+ 0 0 108 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.949 117.4 25.5 -58.5 -51.1 14.2 -32.1 -1.0 8 478 A C H << S+ 0 0 8 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.850 135.3 31.5 -76.1 -43.1 13.5 -28.9 -3.0 9 479 A L S < S- 0 0 4 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 -0.737 73.3-179.4-126.3 76.8 16.7 -28.7 -5.0 10 480 A P > - 0 0 59 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.214 49.5 -85.0 -71.2 176.0 18.2 -32.1 -5.7 11 481 A T H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.830 125.8 49.7 -55.7 -43.0 21.5 -32.2 -7.6 12 482 A E H > S+ 0 0 113 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.907 114.2 46.1 -70.0 -38.7 20.2 -32.0 -11.2 13 483 A K H 4 S+ 0 0 40 -3,-0.4 3,-0.4 2,-0.2 4,-0.3 0.881 113.0 49.7 -62.9 -47.3 17.9 -29.0 -10.3 14 484 A L H >< S+ 0 0 23 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.874 108.1 54.7 -59.6 -41.0 20.8 -27.2 -8.5 15 485 A Q H 3< S+ 0 0 133 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.728 108.8 47.5 -67.0 -22.3 23.1 -27.8 -11.4 16 486 A R T 3< S+ 0 0 124 -4,-0.8 -1,-0.2 -3,-0.4 2,-0.2 0.411 85.5 120.5 -98.4 2.4 20.6 -26.1 -13.8 17 487 A C < + 0 0 13 -3,-1.0 2,-0.4 -4,-0.3 14,-0.2 -0.462 36.0 178.7 -67.0 130.5 20.1 -23.1 -11.5 18 488 A E E -B 30 0A 120 12,-2.2 12,-3.0 -2,-0.2 2,-0.3 -0.997 32.4-118.4-127.3 133.1 21.0 -19.7 -13.0 19 489 A K E +B 29 0A 16 -2,-0.4 10,-0.3 87,-0.3 3,-0.1 -0.541 36.1 170.2 -70.5 130.3 20.5 -16.5 -11.0 20 490 A I E - 0 0 50 8,-2.7 2,-0.3 1,-0.3 9,-0.2 0.532 56.8 -15.4-115.9 -10.1 17.9 -14.2 -12.7 21 491 A G E -B 28 0A 14 7,-1.5 7,-2.5 2,-0.0 -1,-0.3 -0.990 51.0-158.2-179.7 174.9 17.3 -11.6 -10.1 22 492 A E E +B 27 0A 50 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.959 6.1 178.9-159.1 167.4 17.5 -10.3 -6.5 23 493 A G E > -B 26 0A 18 3,-2.1 3,-1.5 -2,-0.3 -2,-0.0 -0.925 56.7 -83.4-158.8 179.2 16.1 -7.9 -3.9 24 494 A V T 3 S+ 0 0 86 -2,-0.3 30,-0.2 1,-0.2 3,-0.1 0.869 126.4 65.3 -51.3 -36.4 16.8 -7.1 -0.2 25 495 A F T 3 S- 0 0 47 1,-0.1 19,-0.4 18,-0.1 2,-0.3 0.697 117.1 -97.3 -55.0 -28.1 14.4 -10.1 0.4 26 496 A G E < -B 23 0A 7 -3,-1.5 -3,-2.1 17,-0.2 2,-0.3 -0.997 56.3 -25.8 139.1-142.2 16.9 -12.6 -1.2 27 497 A E E -BC 22 42A 4 15,-1.8 15,-2.6 -2,-0.3 2,-0.4 -0.861 30.2-153.1-132.5 148.1 17.5 -14.3 -4.5 28 498 A V E -BC 21 41A 29 -7,-2.5 -8,-2.7 -2,-0.3 -7,-1.5 -0.990 17.2-178.9-127.7 126.8 15.8 -15.6 -7.6 29 499 A F E -BC 19 40A 0 11,-2.6 11,-2.9 -2,-0.4 2,-0.4 -0.928 19.5-142.1-122.1 142.5 17.0 -18.5 -9.7 30 500 A Q E +BC 18 39A 44 -12,-3.0 -12,-2.2 -2,-0.3 2,-0.3 -0.840 38.0 146.4 -93.6 145.9 15.7 -20.0 -13.0 31 501 A T E - C 0 38A 1 7,-2.4 7,-2.1 -2,-0.4 2,-0.4 -0.856 45.4 -91.0-156.1-166.0 15.9 -23.8 -13.2 32 502 A I E - C 0 37A 58 -2,-0.3 2,-0.4 -19,-0.2 -16,-0.1 -0.979 27.3-178.2-122.7 128.6 14.2 -26.9 -14.6 33 503 A A E > S- C 0 36A 16 3,-2.9 3,-0.8 -2,-0.4 -2,-0.0 -0.970 80.5 -19.0-125.3 115.6 11.6 -29.0 -12.7 34 504 A D T 3 S- 0 0 158 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.936 128.2 -51.2 46.7 57.4 10.3 -32.0 -14.7 35 505 A H T 3 S+ 0 0 180 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.680 119.2 113.5 60.6 21.9 11.5 -30.6 -18.0 36 506 A T E < S-C 33 0A 81 -3,-0.8 -3,-2.9 100,-0.0 -1,-0.2 -0.985 70.4-119.1-128.0 126.6 9.7 -27.4 -17.2 37 507 A P E +C 32 0A 53 0, 0.0 100,-0.9 0, 0.0 2,-0.3 -0.422 39.9 173.2 -63.9 134.3 11.3 -24.0 -16.6 38 508 A V E -CD 31 136A 3 -7,-2.1 -7,-2.4 98,-0.2 2,-0.4 -0.953 27.9-132.2-134.7 160.7 10.5 -22.6 -13.2 39 509 A A E -CD 30 135A 12 96,-2.7 96,-3.1 -2,-0.3 2,-0.5 -0.953 18.3-158.0-114.3 138.3 11.6 -19.6 -11.1 40 510 A I E -CD 29 134A 4 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.5 -0.973 3.6-164.0-122.2 119.3 12.7 -20.1 -7.4 41 511 A K E -CD 28 133A 7 92,-2.3 92,-2.7 -2,-0.5 2,-0.5 -0.934 10.8-164.0-101.0 126.6 12.6 -17.2 -4.9 42 512 A I E -CD 27 132A 3 -15,-2.6 -15,-1.8 -2,-0.5 2,-0.5 -0.972 7.0-175.8-120.7 119.1 14.6 -18.1 -1.8 43 513 A I E - D 0 131A 6 88,-2.9 88,-2.8 -2,-0.5 2,-0.3 -0.971 21.5-134.9-119.8 122.9 14.1 -16.0 1.4 44 514 A A E - D 0 130A 12 -2,-0.5 13,-0.5 -19,-0.4 2,-0.3 -0.579 33.4-172.6 -70.5 128.7 16.1 -16.4 4.6 45 515 A I E +eD 57 129A 4 84,-2.6 84,-0.7 -2,-0.3 13,-0.2 -0.925 46.7 4.4-127.2 150.7 13.9 -16.4 7.7 46 516 A E S S+ 0 0 101 11,-2.4 12,-0.1 -2,-0.3 -1,-0.1 0.334 86.6 126.8 77.4 -2.5 14.0 -16.4 11.5 47 517 A G - 0 0 20 10,-0.2 9,-0.5 82,-0.2 -1,-0.2 -0.399 62.8-126.8 -93.4 164.1 17.8 -16.0 11.8 48 518 A P S S+ 0 0 116 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.647 74.8 98.9 -83.2 -18.7 20.0 -13.5 13.8 49 519 A D S S- 0 0 60 1,-0.1 7,-0.5 6,-0.1 2,-0.3 -0.382 76.7-116.4 -75.9 145.4 22.3 -12.3 10.9 50 520 A L - 0 0 100 5,-0.1 2,-0.4 -2,-0.1 5,-0.2 -0.632 33.0-162.8 -70.9 138.1 21.8 -9.1 9.0 51 521 A V B > -G 54 0B 17 3,-3.1 3,-2.0 -2,-0.3 67,-0.0 -0.997 65.7 -16.8-128.7 122.2 21.1 -10.0 5.3 52 522 A N T 3 S- 0 0 19 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.871 130.7 -49.2 51.2 38.8 21.4 -7.4 2.5 53 523 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.417 122.9 82.6 86.9 1.2 21.3 -4.6 5.1 54 524 A S B < S-G 51 0B 54 -3,-2.0 -3,-3.1 -30,-0.2 -1,-0.2 -0.907 80.4-100.7-134.4 156.9 18.3 -5.7 7.0 55 525 A H - 0 0 152 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.1 -0.451 52.9 -98.9 -63.5 150.2 17.1 -8.1 9.8 56 526 A Q - 0 0 23 -9,-0.5 -11,-0.1 -7,-0.5 -1,-0.1 -0.498 35.3-114.9 -71.0 143.8 15.5 -11.3 8.5 57 527 A K B -e 45 0A 63 -13,-0.5 -11,-2.4 -2,-0.2 -10,-0.2 -0.378 26.0-124.9 -68.9 154.5 11.7 -11.6 8.4 58 528 A T > - 0 0 50 -13,-0.2 4,-0.8 -12,-0.1 3,-0.2 -0.510 32.0-100.3 -87.0 165.8 10.0 -14.2 10.6 59 529 A F H >> S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 3,-1.1 0.890 124.8 55.7 -50.5 -43.5 7.6 -16.8 9.1 60 530 A E H 34 S+ 0 0 68 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.870 104.6 52.6 -62.9 -37.4 4.6 -14.6 10.2 61 531 A E H 34 S+ 0 0 109 -3,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.648 111.4 46.4 -73.0 -16.7 6.0 -11.7 8.3 62 532 A I H XX S+ 0 0 2 -3,-1.1 4,-1.8 -4,-0.8 3,-0.6 0.612 90.4 86.4 -96.3 -18.3 6.4 -13.7 5.0 63 533 A L H 3X S+ 0 0 65 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.859 81.0 58.0 -56.5 -39.7 2.9 -15.3 5.3 64 534 A P H 3> S+ 0 0 27 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.917 106.7 48.4 -60.5 -40.4 1.2 -12.4 3.5 65 535 A E H <> S+ 0 0 7 -3,-0.6 4,-2.5 -4,-0.2 -2,-0.2 0.892 112.6 49.6 -63.3 -39.3 3.3 -12.8 0.4 66 536 A I H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.961 113.5 45.0 -61.9 -50.8 2.6 -16.6 0.4 67 537 A I H X S+ 0 0 59 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.911 115.2 47.0 -57.9 -49.0 -1.1 -16.1 0.8 68 538 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.903 110.6 52.4 -65.4 -41.1 -1.3 -13.4 -1.9 69 539 A S H X S+ 0 0 1 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.914 112.3 46.3 -59.0 -44.6 0.8 -15.5 -4.3 70 540 A K H X S+ 0 0 119 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.947 113.6 48.4 -62.6 -47.6 -1.6 -18.4 -3.7 71 541 A E H >< S+ 0 0 41 -4,-2.9 3,-0.9 1,-0.2 4,-0.4 0.933 114.5 44.9 -58.9 -49.7 -4.7 -16.1 -4.2 72 542 A L H >< S+ 0 0 3 -4,-3.0 3,-1.0 1,-0.2 4,-0.4 0.815 103.7 64.4 -64.7 -31.8 -3.3 -14.6 -7.4 73 543 A S H >< S+ 0 0 27 -4,-1.8 3,-0.5 -5,-0.3 -1,-0.2 0.783 97.1 58.8 -59.1 -29.4 -2.2 -18.0 -8.8 74 544 A L G X< S+ 0 0 86 -4,-0.9 3,-1.6 -3,-0.9 4,-0.4 0.719 83.3 82.4 -73.9 -22.3 -5.9 -18.9 -8.9 75 545 A L G X S+ 0 0 3 -3,-1.0 8,-1.0 -4,-0.4 3,-1.0 0.774 80.5 62.5 -61.1 -31.6 -7.0 -16.1 -11.2 76 546 A S G < S+ 0 0 57 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.742 111.0 39.7 -63.4 -25.1 -5.9 -17.9 -14.5 77 547 A G G < S+ 0 0 63 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.237 95.1 100.5-109.2 6.7 -8.5 -20.6 -13.8 78 548 A E < - 0 0 84 -3,-1.0 4,-0.1 -4,-0.4 -3,-0.0 -0.265 56.9-151.7 -83.1-176.9 -11.4 -18.5 -12.5 79 549 A V S S+ 0 0 113 2,-0.1 3,-0.4 -2,-0.1 122,-0.2 0.731 83.0 39.0-122.9 -56.4 -14.4 -17.5 -14.6 80 550 A C S S+ 0 0 82 1,-0.3 121,-2.6 120,-0.1 2,-0.4 0.857 132.7 24.2 -71.7 -41.3 -16.0 -14.2 -13.5 81 551 A N S S+ 0 0 17 118,-0.2 2,-0.4 119,-0.2 -1,-0.3 -0.877 89.9 157.1-127.2 96.5 -12.7 -12.5 -12.8 82 552 A R B +H 198 0C 52 116,-1.7 116,-2.6 -2,-0.4 2,-0.3 -0.966 6.6 147.4-129.1 136.7 -10.1 -14.3 -14.9 83 553 A T - 0 0 8 -8,-1.0 3,-0.3 -2,-0.4 -5,-0.2 -0.945 38.3-149.4-160.9 147.9 -6.7 -13.3 -16.2 84 554 A E S S+ 0 0 93 112,-0.5 4,-0.1 -2,-0.3 -8,-0.1 0.172 74.5 106.5 -95.8 16.0 -3.3 -15.0 -17.0 85 555 A G S S+ 0 0 0 129,-0.1 130,-2.5 76,-0.1 -1,-0.1 0.340 71.7 51.0 -85.1 1.0 -1.6 -11.7 -16.1 86 556 A F S S- 0 0 6 -3,-0.3 2,-0.3 128,-0.3 130,-0.1 -0.005 94.9 -94.7-104.7-136.7 -0.2 -12.7 -12.8 87 557 A I - 0 0 7 -18,-0.1 2,-0.2 -2,-0.1 -12,-0.1 -0.993 25.1-109.0-151.1 144.1 1.9 -15.9 -12.2 88 558 A G - 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0 0 4 -15,-2.3 3,-1.8 -2,-0.2 -14,-0.1 0.718 6.6-147.5 -75.8 -24.6 -0.6 -9.2 -27.6 209 679 A C T 3 S- 0 0 65 -16,-0.5 -59,-0.2 1,-0.2 -16,-0.1 0.867 76.4 -59.9 43.7 35.4 2.0 -7.7 -29.9 210 680 A G T 3 S+ 0 0 30 -18,-0.4 -20,-2.0 1,-0.2 2,-0.4 0.552 116.9 102.3 80.3 9.5 3.7 -11.1 -29.3 211 681 A L E < -K 189 0D 19 -3,-1.8 2,-0.6 -22,-0.3 -22,-0.2 -0.974 53.7-155.4-129.2 141.8 4.1 -10.7 -25.5 212 682 A Q E -K 188 0D 30 -24,-3.2 -24,-1.7 -2,-0.4 2,-0.4 -0.973 23.2-147.8-108.4 121.5 2.3 -12.1 -22.5 213 683 A V E -K 187 0D 2 -2,-0.6 2,-0.4 -26,-0.2 -26,-0.2 -0.749 12.6-169.0 -90.5 132.1 2.8 -9.8 -19.5 214 684 A S E -K 186 0D 9 -28,-2.3 -28,-3.1 -2,-0.4 2,-0.5 -0.996 13.8-145.9-123.3 129.1 3.0 -11.2 -16.0 215 685 A I E +K 185 0D 0 -130,-2.5 2,-0.2 -2,-0.4 -30,-0.2 -0.808 33.8 171.9 -89.7 128.2 2.9 -9.2 -12.7 216 686 A I + 0 0 37 -32,-2.1 -32,-0.0 -2,-0.5 -33,-0.0 -0.713 30.2 55.3-130.1 169.2 5.1 -10.8 -10.1 217 687 A D - 0 0 24 -2,-0.2 3,-0.4 1,-0.1 -1,-0.2 0.988 44.2-167.0 72.6 84.9 6.6 -10.4 -6.6 218 688 A Y > + 0 0 2 1,-0.2 3,-0.8 -153,-0.2 -150,-0.1 -0.091 43.1 127.3-101.3 35.5 3.9 -9.7 -3.9 219 689 A T T 3 S+ 0 0 21 1,-0.3 -1,-0.2 -2,-0.1 -154,-0.1 0.753 86.6 26.0 -62.2 -35.0 6.2 -8.6 -1.0 220 690 A L T 3 S+ 0 0 24 -3,-0.4 12,-0.4 -43,-0.3 -1,-0.3 0.309 98.9 126.1-109.0 6.6 4.3 -5.3 -0.4 221 691 A S < - 0 0 1 -3,-0.8 11,-0.7 10,-0.1 2,-0.3 -0.060 39.4-160.6 -78.5 166.1 0.9 -6.4 -1.8 222 692 A R E +MN 176 231F 4 -46,-2.2 -46,-2.5 9,-0.2 2,-0.3 -0.990 18.6 148.2-143.6 144.0 -2.5 -6.3 -0.1 223 693 A L E - N 0 230F 3 7,-2.2 7,-2.8 -2,-0.3 2,-0.3 -0.949 21.3-147.9-158.8 179.2 -5.8 -8.0 -0.8 224 694 A E E - N 0 229F 27 -51,-2.8 2,-0.3 -2,-0.3 5,-0.2 -0.990 8.2-166.5-154.9 152.3 -8.9 -9.2 1.0 225 695 A R E > S- N 0 228F 123 3,-1.7 3,-1.9 -2,-0.3 -52,-0.1 -0.984 81.9 -7.5-135.7 133.1 -11.6 -11.9 0.9 226 696 A D T 3 S- 0 0 160 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.872 130.3 -53.9 51.1 44.0 -14.8 -11.8 3.0 227 697 A G T 3 S+ 0 0 56 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.460 109.3 123.3 72.9 6.2 -13.6 -8.7 4.9 228 698 A I E < -N 225 0F 121 -3,-1.9 -3,-1.7 2,-0.0 2,-0.4 -0.885 49.7-153.1-102.1 115.0 -10.3 -10.4 6.0 229 699 A V E -N 224 0F 50 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.762 11.2-166.7 -96.5 137.3 -7.3 -8.3 4.8 230 700 A V E +N 223 0F 27 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.3 -0.983 31.5 132.8-118.9 124.5 -3.8 -9.7 4.0 231 701 A F E -N 222 0F 60 -2,-0.4 2,-0.7 -9,-0.2 -9,-0.2 -0.985 58.3 -97.3-161.4 170.3 -1.1 -7.1 3.7 232 702 A C - 0 0 24 -11,-0.7 2,-1.0 -12,-0.4 -171,-0.0 -0.904 35.8-145.3 -98.1 110.2 2.4 -5.8 4.4 233 703 A D + 0 0 103 -2,-0.7 3,-0.2 1,-0.1 29,-0.0 -0.668 31.2 162.6 -80.7 105.9 2.2 -3.3 7.2 234 704 A V > + 0 0 10 -2,-1.0 3,-1.0 1,-0.2 -1,-0.1 0.024 33.8 118.3-110.4 25.5 4.9 -0.7 6.4 235 705 A S T 3 S+ 0 0 31 1,-0.3 -1,-0.2 26,-0.1 -2,-0.0 0.635 84.6 36.0 -73.1 -16.9 3.6 2.0 8.7 236 706 A M T 3 S+ 0 0 172 -3,-0.2 2,-1.2 1,-0.0 -1,-0.3 0.257 86.9 111.2-113.7 5.0 6.8 2.0 10.8 237 707 A D < + 0 0 73 -3,-1.0 4,-0.4 1,-0.2 3,-0.2 -0.702 42.9 179.4 -83.9 97.1 9.2 1.3 7.9 238 708 A E S > S+ 0 0 66 -2,-1.2 3,-1.1 1,-0.2 4,-0.2 0.909 70.8 54.8 -64.6 -47.0 11.1 4.7 7.7 239 709 A D G > S+ 0 0 128 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.751 91.8 69.1 -66.4 -31.9 13.5 3.9 4.8 240 710 A L G 3 S+ 0 0 32 1,-0.3 3,-0.4 -3,-0.2 -1,-0.2 0.795 106.4 43.6 -52.9 -31.2 10.9 2.8 2.2 241 711 A F G < S+ 0 0 16 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.381 103.1 64.1-101.2 2.0 9.7 6.5 2.1 242 712 A T S < S+ 0 0 98 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 0.168 72.8 130.0-113.4 18.5 13.1 8.2 2.0 243 713 A G - 0 0 19 -3,-0.4 2,-0.3 6,-0.3 -3,-0.0 -0.204 33.4-172.2 -74.0 165.9 14.4 6.9 -1.4 244 714 A D + 0 0 144 1,-0.1 3,-0.1 6,-0.0 -2,-0.0 -0.990 48.2 53.2-158.1 152.5 15.8 9.1 -4.2 245 715 A G S S+ 0 0 75 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.416 98.2 56.9 100.1 0.8 17.0 9.1 -7.8 246 716 A D S >> S- 0 0 39 1,-0.1 3,-1.5 -3,-0.0 4,-0.5 -0.964 80.9-121.2-159.9 140.5 13.9 7.5 -9.5 247 717 A Y H >> S+ 0 0 46 -2,-0.3 4,-1.6 1,-0.3 3,-0.7 0.739 107.4 77.8 -52.2 -27.4 10.2 8.3 -9.7 248 718 A Q H 3> S+ 0 0 30 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.885 91.0 51.6 -46.1 -45.6 9.9 4.8 -8.1 249 719 A F H <> S+ 0 0 60 -3,-1.5 4,-0.9 1,-0.2 -6,-0.3 0.716 104.0 56.3 -75.4 -20.9 10.8 6.2 -4.8 250 720 A D H S+ 0 0 74 -4,-2.0 5,-1.4 -5,-0.2 4,-0.9 0.878 111.2 49.8 -59.2 -41.0 1.5 6.8 2.0 257 727 A K H <5S+ 0 0 110 -4,-2.3 3,-0.5 2,-0.2 -2,-0.2 0.935 111.8 48.7 -58.0 -49.8 -0.1 10.2 1.3 258 728 A E H <5S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.874 121.3 34.1 -60.3 -41.9 -3.2 8.5 -0.4 259 729 A N H ><5S- 0 0 2 -4,-2.4 3,-2.0 -5,-0.1 -1,-0.2 0.403 101.0-125.4 -99.4 2.0 -3.7 6.0 2.5 260 730 A N T 3<5S- 0 0 94 -4,-0.9 -3,-0.2 -3,-0.5 -4,-0.1 0.832 72.2 -61.3 58.1 34.3 -2.6 8.3 5.5 261 731 A N T 3 + 0 0 30 -2,-0.7 3,-2.4 -4,-0.1 4,-0.2 -0.702 12.1 179.8-131.5 79.0 -6.8 2.3 -1.9 268 738 A P T >> S+ 0 0 24 0, 0.0 3,-1.1 0, 0.0 4,-0.9 0.598 70.9 85.4 -60.4 -10.1 -6.8 1.1 -5.5 269 739 A Y H 3> S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.762 75.6 71.5 -57.6 -24.9 -5.3 4.5 -6.5 270 740 A S H <> S+ 0 0 2 -3,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.865 93.3 54.0 -61.7 -36.4 -1.9 2.9 -5.7 271 741 A N H <> S+ 0 0 0 -3,-1.1 4,-2.3 -4,-0.2 -1,-0.2 0.870 107.6 49.8 -60.0 -42.3 -2.3 0.7 -8.9 272 742 A V H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.889 109.1 52.6 -61.4 -45.5 -2.9 3.9 -10.9 273 743 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.926 111.7 45.2 -56.2 -49.9 0.3 5.4 -9.3 274 744 A W H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.895 112.1 51.8 -60.6 -41.3 2.4 2.4 -10.3 275 745 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.840 109.0 51.2 -63.2 -33.6 0.8 2.4 -13.8 276 746 A H H X S+ 0 0 20 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.933 109.7 49.4 -67.4 -47.1 1.8 6.1 -14.0 277 747 A Y H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.860 112.7 48.5 -54.4 -40.4 5.4 5.2 -13.0 278 748 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.903 109.6 50.3 -73.0 -44.6 5.4 2.5 -15.6 279 749 A T H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.883 110.1 52.6 -55.8 -41.3 4.0 4.7 -18.4 280 750 A D H X S+ 0 0 13 -4,-2.2 4,-1.5 1,-0.2 3,-0.4 0.931 108.0 49.6 -61.9 -46.7 6.8 7.2 -17.5 281 751 A K H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.880 109.7 53.0 -59.7 -40.8 9.4 4.5 -17.8 282 752 A M H < S+ 0 0 1 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.812 112.8 42.0 -63.4 -35.3 8.0 3.6 -21.2 283 753 A L H < S+ 0 0 37 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.669 130.1 24.4 -85.8 -20.3 8.2 7.2 -22.5 284 754 A K H < S+ 0 0 142 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.707 124.1 36.4-116.7 -32.0 11.6 8.0 -21.1 285 755 A Q S < S+ 0 0 84 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.265 92.2 89.8-122.7 11.8 13.7 4.9 -20.5 286 756 A M - 0 0 19 -5,-0.4 2,-0.4 -4,-0.3 -139,-0.2 -0.847 53.5-155.3-111.4 147.1 13.0 2.5 -23.3 287 757 A T - 0 0 77 -141,-2.5 -138,-0.6 -2,-0.3 2,-0.3 -0.975 17.2-155.9-120.3 135.2 14.6 2.2 -26.7 288 758 A F B -l 149 0E 19 -2,-0.4 -138,-0.2 -140,-0.1 -137,-0.1 -0.821 24.7-131.0-115.4 145.6 12.6 0.7 -29.5 289 759 A K S S+ 0 0 89 -140,-2.2 2,-0.5 -2,-0.3 -138,-0.2 0.938 103.9 52.8 -59.8 -47.8 13.5 -1.1 -32.7 290 760 A T S S- 0 0 60 -140,-2.9 -138,-0.2 -141,-0.2 -1,-0.1 -0.826 87.5-148.9 -89.5 126.0 11.1 1.2 -34.7 291 761 A K - 0 0 127 -2,-0.5 2,-1.5 -140,-0.1 3,-0.2 -0.149 32.6 -82.9 -88.9 178.7 11.8 4.9 -34.0 292 762 A C S S+ 0 0 72 1,-0.2 -1,-0.1 5,-0.1 -141,-0.0 -0.667 91.3 106.7 -92.1 82.6 9.4 7.8 -33.9 293 763 A N + 0 0 118 -2,-1.5 -1,-0.2 0, 0.0 3,-0.1 0.013 58.5 71.6-151.2 22.2 9.3 8.5 -37.6 294 764 A T S > S- 0 0 56 -3,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.957 79.3-114.7-134.8 163.4 5.9 7.3 -39.0 295 765 A P H > S+ 0 0 117 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.973 114.8 49.3 -58.4 -57.6 2.3 8.6 -38.6 296 766 A A H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.822 113.1 49.5 -46.3 -40.4 1.0 5.5 -36.7 297 767 A M H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.881 108.8 49.0 -73.3 -40.9 3.9 5.8 -34.3 298 768 A K H X S+ 0 0 50 -4,-2.1 4,-2.1 -3,-0.3 -2,-0.2 0.865 111.5 52.7 -65.9 -35.2 3.5 9.5 -33.5 299 769 A Q H X S+ 0 0 102 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.913 109.8 46.0 -66.2 -46.8 -0.2 8.8 -32.9 300 770 A I H X S+ 0 0 27 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.940 113.0 51.7 -59.5 -47.6 0.5 6.0 -30.3 301 771 A K H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.892 110.1 48.0 -54.7 -44.0 3.1 8.1 -28.7 302 772 A R H X S+ 0 0 138 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.919 112.2 50.2 -64.6 -42.7 0.6 11.0 -28.4 303 773 A K H X S+ 0 0 50 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.919 112.7 45.5 -59.6 -44.8 -2.0 8.5 -27.0 304 774 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.902 113.7 51.0 -68.4 -38.0 0.5 7.2 -24.4 305 775 A Q H X S+ 0 0 82 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.920 110.7 47.2 -61.3 -44.9 1.5 10.8 -23.6 306 776 A E H X S+ 0 0 51 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.887 111.1 52.5 -65.3 -37.6 -2.1 11.8 -23.1 307 777 A F H >X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 3,-0.6 0.955 108.4 51.2 -58.0 -49.6 -2.6 8.7 -20.9 308 778 A H H 3< S+ 0 0 40 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.893 112.8 45.0 -56.4 -43.4 0.4 9.8 -18.8 309 779 A R H 3< S+ 0 0 179 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.667 124.8 31.1 -81.6 -15.0 -1.0 13.3 -18.4 310 780 A T H X< S+ 0 0 33 -4,-1.4 3,-2.1 -3,-0.6 -2,-0.2 0.654 93.9 84.3-108.9 -23.8 -4.6 12.2 -17.6 311 781 A M G >< S+ 0 0 0 -4,-3.2 3,-1.9 1,-0.3 -3,-0.1 0.778 78.9 67.9 -62.7 -28.6 -4.4 8.8 -15.8 312 782 A L G 3 S+ 0 0 53 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.603 90.1 67.3 -65.3 -8.7 -3.8 10.2 -12.3 313 783 A N G < S+ 0 0 139 -3,-2.1 2,-0.3 2,-0.0 -1,-0.3 0.306 85.7 89.7 -91.5 7.1 -7.4 11.6 -12.5 314 784 A F S < S- 0 0 36 -3,-1.9 -42,-0.1 -45,-0.1 3,-0.1 -0.798 71.8-141.5-105.7 152.8 -8.7 7.9 -12.4 315 785 A S S S- 0 0 75 -2,-0.3 2,-0.3 1,-0.1 -45,-0.1 0.557 72.3 -9.0 -95.8 -9.0 -9.6 6.2 -9.1 316 786 A S S > S- 0 0 15 -47,-0.1 4,-2.1 -45,-0.1 -47,-0.1 -0.956 74.8 -91.8-173.9 166.6 -8.3 2.6 -9.8 317 787 A A H > S+ 0 0 0 -49,-0.4 4,-2.7 -2,-0.3 -150,-0.3 0.823 125.9 57.3 -61.5 -32.2 -7.1 0.3 -12.6 318 788 A T H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.933 105.4 48.7 -64.8 -48.8 -10.7 -0.7 -13.1 319 789 A D H >>S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.933 113.7 47.8 -55.3 -49.9 -11.7 2.9 -13.7 320 790 A L H X5S+ 0 0 0 -4,-2.1 4,-2.0 3,-0.2 7,-0.3 0.923 113.4 46.2 -55.6 -49.3 -8.8 3.3 -16.2 321 791 A L H <5S+ 0 0 12 -4,-2.7 -2,-0.2 -158,-0.2 -1,-0.2 0.931 120.6 37.8 -63.2 -45.9 -9.6 0.1 -18.1 322 792 A C H <5S+ 0 0 68 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.765 132.1 22.4 -74.3 -30.3 -13.4 0.9 -18.3 323 793 A Q H <5S+ 0 0 126 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.674 88.8 104.8-116.8 -29.3 -13.2 4.6 -18.9 324 794 A H ><< - 0 0 2 -4,-2.0 3,-1.3 -5,-0.5 -17,-0.0 -0.409 62.5-139.3 -70.8 137.2 -9.8 5.7 -20.3 325 795 A S G > S+ 0 0 72 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.758 95.2 74.9 -63.7 -27.2 -9.7 6.5 -24.1 326 796 A L G 3 S+ 0 0 5 1,-0.3 -1,-0.3 -23,-0.1 -166,-0.1 0.811 100.4 42.2 -52.8 -34.4 -6.4 4.7 -24.5 327 797 A F G < 0 0 21 -3,-1.3 -1,-0.3 -7,-0.3 -2,-0.2 0.126 360.0 360.0-106.4 15.2 -8.1 1.3 -24.3 328 798 A K < 0 0 189 -3,-1.7 -5,-0.0 -5,-0.1 -3,-0.0 -0.407 360.0 360.0 -96.7 360.0 -11.2 2.0 -26.4