==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 02-JUN-06 2H7O . COMPND 2 MOLECULE: PROTEIN KINASE YPKA; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR G.PREHNA,M.IVANOV,J.B.BLISKA,C.E.STEBBINS . 270 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 80.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 0 0 0 1 0 0 0 0 1 0 0 0 2 1 1 0 1 1 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 439 A R 0 0 226 0, 0.0 2,-0.3 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 136.8 5.6 18.7 -3.9 2 440 A I - 0 0 22 39,-0.2 3,-0.0 4,-0.1 46,-0.0 -0.544 360.0-154.0 -73.3 127.1 2.5 20.7 -3.0 3 441 A T > - 0 0 67 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.618 28.8-113.7 -96.9 160.5 -0.2 20.4 -5.7 4 442 A P H > S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.906 120.7 55.9 -52.0 -43.6 -3.1 22.7 -6.7 5 443 A K H > S+ 0 0 150 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.900 107.4 45.7 -53.6 -48.6 -5.4 19.9 -5.3 6 444 A K H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 111.3 53.3 -68.4 -35.9 -3.7 19.9 -1.9 7 445 A L H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.899 109.5 48.3 -63.6 -43.8 -3.8 23.6 -1.7 8 446 A R H X S+ 0 0 145 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.884 110.6 51.8 -60.2 -45.3 -7.6 23.5 -2.5 9 447 A E H X S+ 0 0 80 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.901 110.0 48.5 -59.4 -42.8 -8.0 20.8 0.3 10 448 A L H X S+ 0 0 9 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.897 111.6 50.1 -63.4 -38.7 -6.2 23.0 2.8 11 449 A S H X S+ 0 0 13 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.831 105.2 56.2 -68.6 -34.4 -8.3 26.0 1.8 12 450 A D H X S+ 0 0 55 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.896 106.9 51.8 -62.7 -39.4 -11.5 23.9 2.2 13 451 A L H X S+ 0 0 67 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.943 109.0 48.8 -62.6 -46.5 -10.3 23.2 5.8 14 452 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.919 110.3 51.2 -57.3 -47.9 -9.9 26.9 6.5 15 453 A R H X S+ 0 0 109 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.824 107.3 54.1 -59.8 -35.7 -13.3 27.6 5.1 16 454 A T H X S+ 0 0 80 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.949 110.4 45.8 -62.7 -45.6 -14.9 25.0 7.3 17 455 A H H X S+ 0 0 17 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 111.7 52.0 -64.5 -44.0 -13.3 26.6 10.4 18 456 A L H X S+ 0 0 31 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.914 110.6 47.2 -55.2 -45.0 -14.4 30.0 9.2 19 457 A S H X S+ 0 0 73 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.914 110.8 53.7 -68.3 -40.5 -18.0 28.8 8.8 20 458 A S H <>S+ 0 0 30 -4,-2.6 5,-3.1 2,-0.2 6,-0.4 0.854 105.6 52.8 -48.9 -44.0 -17.8 27.1 12.2 21 459 A A H ><5S+ 0 0 5 -4,-2.0 3,-1.9 4,-0.2 -2,-0.2 0.930 104.3 56.1 -65.4 -41.4 -16.7 30.4 13.8 22 460 A A H 3<5S+ 0 0 76 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.779 111.6 43.3 -59.8 -29.9 -19.8 32.1 12.2 23 461 A T T 3<5S- 0 0 87 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.148 117.3-113.1 -98.1 17.4 -22.1 29.6 14.0 24 462 A K T < 5S+ 0 0 152 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.792 89.2 112.2 55.4 34.4 -20.1 29.8 17.3 25 463 A Q < + 0 0 142 -5,-3.1 -4,-0.2 -6,-0.1 -5,-0.1 0.004 38.1 158.6-123.0 27.7 -18.9 26.2 16.9 26 464 A L - 0 0 20 -6,-0.4 2,-1.1 -5,-0.2 3,-0.1 -0.297 37.4-143.6 -59.5 126.2 -15.1 26.8 16.3 27 465 A D > - 0 0 98 1,-0.2 4,-2.8 -2,-0.1 5,-0.3 -0.807 18.5-170.2 -87.6 97.0 -12.9 23.8 17.1 28 466 A M H > S+ 0 0 37 -2,-1.1 4,-2.1 1,-0.2 5,-0.2 0.883 82.6 46.6 -63.0 -45.2 -9.9 25.7 18.5 29 467 A G H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 115.2 50.9 -63.0 -39.1 -7.5 22.7 18.7 30 468 A G H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 110.4 44.7 -62.4 -48.7 -8.6 21.8 15.2 31 469 A V H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.905 116.2 48.1 -68.0 -35.3 -8.1 25.2 13.6 32 470 A L H X S+ 0 0 2 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.888 112.9 46.5 -71.0 -40.5 -4.8 25.6 15.3 33 471 A S H X S+ 0 0 61 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.907 114.4 47.8 -65.6 -39.7 -3.5 22.2 14.3 34 472 A D H X S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.869 109.1 54.9 -66.7 -42.7 -4.7 22.6 10.7 35 473 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.876 104.3 53.6 -58.8 -43.5 -3.0 26.1 10.6 36 474 A D H X S+ 0 0 24 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.933 107.7 50.5 -56.5 -48.3 0.3 24.7 11.6 37 475 A T H X S+ 0 0 67 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.907 109.5 52.4 -54.5 -41.7 0.1 22.1 8.7 38 476 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.867 103.7 55.5 -66.9 -34.4 -0.7 24.9 6.4 39 477 A L H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.891 110.2 47.0 -61.6 -41.2 2.4 26.9 7.5 40 478 A V H X S+ 0 0 58 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.952 115.4 46.0 -65.8 -46.3 4.6 23.9 6.7 41 479 A A H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.863 112.2 48.4 -59.8 -47.3 2.9 23.5 3.3 42 480 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.905 105.8 58.4 -67.0 -39.4 3.0 27.2 2.3 43 481 A D H X S+ 0 0 40 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.929 114.4 38.6 -53.1 -45.0 6.7 27.4 3.3 44 482 A K H >X S+ 0 0 112 -4,-1.5 3,-1.8 2,-0.2 4,-0.9 0.989 113.1 54.7 -65.5 -59.4 7.3 24.6 0.7 45 483 A A H >< S+ 0 0 2 -4,-3.0 3,-0.9 1,-0.3 -2,-0.2 0.814 104.7 54.4 -44.3 -49.2 4.8 25.8 -2.0 46 484 A E H 3< S+ 0 0 71 -4,-2.6 -1,-0.3 1,-0.2 197,-0.2 0.775 103.3 55.8 -55.9 -35.7 6.4 29.3 -2.1 47 485 A R H << 0 0 102 -3,-1.8 -1,-0.2 -4,-0.7 -2,-0.2 0.689 360.0 360.0 -75.8 -21.1 9.8 27.8 -2.8 48 486 A E << 0 0 103 -4,-0.9 -2,-0.2 -3,-0.9 -3,-0.2 0.523 360.0 360.0-131.3 360.0 8.4 26.0 -5.9 49 ! 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 50 489 A V 0 0 55 0, 0.0 5,-0.1 0, 0.0 -47,-0.0 0.000 360.0 360.0 360.0 122.5 0.9 26.4 -7.9 51 490 A D > - 0 0 106 1,-0.2 4,-1.8 3,-0.1 3,-0.2 -0.233 360.0-133.3 -42.3 129.2 -0.3 29.6 -9.6 52 491 A K H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.801 108.9 65.3 -57.9 -32.3 1.2 32.5 -7.6 53 492 A D H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.957 103.3 42.9 -44.1 -58.5 -2.4 33.8 -7.8 54 493 A Q H > S+ 0 0 70 -3,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.861 110.6 56.6 -67.2 -35.0 -3.6 30.8 -5.7 55 494 A L H X S+ 0 0 13 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.881 107.0 48.9 -63.4 -41.4 -0.7 31.2 -3.3 56 495 A K H X S+ 0 0 103 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.885 110.2 51.4 -62.2 -39.9 -1.6 34.8 -2.6 57 496 A S H X S+ 0 0 71 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.834 110.0 50.2 -68.1 -28.5 -5.2 33.9 -1.9 58 497 A F H X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.908 106.7 52.3 -81.6 -43.3 -4.2 31.2 0.5 59 498 A N H X S+ 0 0 51 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.919 113.2 47.4 -52.6 -46.9 -1.9 33.5 2.5 60 499 A S H X S+ 0 0 73 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.785 108.1 53.6 -69.2 -30.8 -4.9 35.9 2.8 61 500 A L H X S+ 0 0 26 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.871 107.8 51.7 -69.0 -40.3 -7.3 33.1 3.9 62 501 A I H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.949 108.7 50.0 -58.8 -50.8 -4.9 32.2 6.6 63 502 A L H X S+ 0 0 95 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 109.0 52.5 -55.4 -41.6 -4.9 35.8 7.8 64 503 A K H X S+ 0 0 138 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.908 109.3 51.6 -58.7 -37.9 -8.8 35.8 7.7 65 504 A T H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.908 108.7 46.9 -70.3 -45.8 -8.6 32.7 9.9 66 505 A Y H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.872 110.0 56.1 -60.6 -34.0 -6.3 34.2 12.5 67 506 A R H X S+ 0 0 147 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.926 108.4 47.1 -64.6 -41.9 -8.5 37.3 12.5 68 507 A V H X S+ 0 0 38 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.857 109.0 53.7 -68.6 -36.7 -11.5 35.0 13.4 69 508 A I H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.911 109.1 49.9 -60.0 -42.5 -9.5 33.3 16.1 70 509 A E H X S+ 0 0 30 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 113.4 44.2 -63.2 -45.9 -8.7 36.7 17.7 71 510 A D H X S+ 0 0 75 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.865 109.5 58.1 -66.4 -31.3 -12.3 37.8 17.6 72 511 A Y H < S+ 0 0 65 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.946 115.8 34.3 -67.3 -44.0 -13.3 34.4 18.9 73 512 A V H < S+ 0 0 27 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.660 110.4 62.5 -85.8 -23.1 -11.1 34.9 22.0 74 513 A K H < 0 0 158 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.995 360.0 360.0 -57.4 -62.1 -11.7 38.6 22.3 75 514 A G < 0 0 93 -4,-2.0 -1,-0.1 -5,-0.1 0, 0.0 -0.522 360.0 360.0 -73.6 360.0 -15.4 37.9 22.9 76 ! 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 77 533 A N > 0 0 144 0, 0.0 4,-3.1 0, 0.0 5,-0.5 0.000 360.0 360.0 360.0 -47.7 -3.9 18.9 27.1 78 534 A F H >> + 0 0 32 2,-0.2 5,-2.3 3,-0.2 4,-1.9 0.917 360.0 47.8 -52.8 -48.3 -4.5 21.6 24.8 79 535 A M H 4>S+ 0 0 22 3,-0.2 5,-3.2 1,-0.2 -1,-0.1 0.965 117.2 42.3 -57.3 -47.4 -1.0 22.6 25.9 80 536 A L H 45S+ 0 0 97 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.850 126.7 25.7 -74.4 -40.2 0.3 19.0 25.4 81 537 A S H <5S+ 0 0 63 -4,-3.1 -1,-0.2 3,-0.1 -3,-0.2 0.707 134.5 24.2-100.6 -21.2 -1.3 18.0 22.1 82 538 A I T X5S+ 0 0 30 -4,-1.9 4,-1.1 -5,-0.5 -3,-0.2 0.827 125.8 32.4-110.7 -58.0 -1.8 21.4 20.4 83 539 A V H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.888 115.8 47.0 -61.0 -39.2 4.1 20.3 19.0 86 542 A S H X S+ 0 0 4 -4,-1.1 4,-2.4 -3,-0.2 5,-0.2 0.932 113.1 48.8 -65.2 -45.5 3.6 23.6 17.1 87 543 A L H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.922 111.5 50.4 -55.9 -47.9 6.0 25.4 19.5 88 544 A Q H X S+ 0 0 99 -4,-2.7 4,-1.1 -5,-0.2 -1,-0.2 0.905 110.7 48.9 -63.0 -39.7 8.6 22.7 19.1 89 545 A R H < S+ 0 0 44 -4,-2.0 3,-0.5 1,-0.2 4,-0.5 0.931 114.6 43.6 -65.2 -44.9 8.4 22.8 15.3 90 546 A I H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.5 0.859 102.9 66.6 -71.7 -33.1 8.8 26.6 15.2 91 547 A Q H >< S+ 0 0 64 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.842 91.0 65.9 -54.8 -31.9 11.6 26.5 17.9 92 548 A K G >< S+ 0 0 134 -4,-1.1 3,-1.3 -3,-0.5 4,-0.3 0.808 90.4 63.2 -61.8 -27.3 13.7 24.7 15.2 93 549 A H G X4 S+ 0 0 42 -3,-1.6 3,-0.9 -4,-0.5 -1,-0.2 0.783 92.6 66.4 -65.2 -25.1 13.7 27.9 13.1 94 550 A L G << S+ 0 0 25 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.499 101.2 45.6 -80.2 -7.0 15.6 29.6 15.8 95 551 A D G < S+ 0 0 140 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.2 0.352 96.7 97.9-111.7 3.7 18.7 27.4 15.4 96 552 A Q S < S- 0 0 125 -3,-0.9 2,-0.4 -4,-0.3 -3,-0.0 -0.660 77.6-115.5 -98.8 146.1 18.8 27.7 11.6 97 553 A T - 0 0 140 -2,-0.3 2,-0.3 1,-0.0 -2,-0.1 -0.673 42.2-148.1 -71.0 125.2 20.8 30.0 9.3 98 554 A H - 0 0 45 -2,-0.4 2,-0.3 51,-0.1 -1,-0.0 -0.716 16.7-165.5-102.9 154.4 18.3 32.2 7.5 99 555 A S > - 0 0 56 -2,-0.3 3,-2.3 140,-0.0 4,-0.2 -0.754 44.1 -96.3-120.1 170.1 18.2 33.8 4.0 100 556 A F G > S+ 0 0 29 138,-0.4 3,-2.1 1,-0.3 4,-0.3 0.821 119.9 69.0 -56.4 -32.0 15.9 36.6 2.8 101 557 A S G 3 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.584 92.6 60.6 -66.4 -9.2 13.6 33.9 1.3 102 558 A D G <> S+ 0 0 26 -3,-2.3 4,-2.4 1,-0.2 3,-0.3 0.515 76.3 91.6 -90.7 -12.3 12.7 32.9 4.8 103 559 A I H <> S+ 0 0 19 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 0.916 83.6 51.5 -53.7 -50.1 11.2 36.2 5.9 104 560 A G H > S+ 0 0 32 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.865 112.7 45.2 -53.8 -40.2 7.7 35.3 4.8 105 561 A S H > S+ 0 0 14 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.866 111.7 51.1 -80.0 -29.9 7.6 32.1 6.7 106 562 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.898 109.0 52.4 -70.9 -39.7 9.2 33.6 9.9 107 563 A V H X S+ 0 0 66 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.929 112.0 46.3 -54.3 -48.6 6.6 36.4 9.8 108 564 A R H X S+ 0 0 20 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.910 112.0 50.6 -62.9 -43.6 3.8 33.6 9.6 109 565 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.864 108.9 52.0 -65.6 -34.8 5.5 31.6 12.4 110 566 A H H X S+ 0 0 35 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.923 108.7 48.5 -65.5 -44.1 5.6 34.7 14.6 111 567 A K H X S+ 0 0 44 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.881 110.4 55.1 -62.6 -35.6 1.9 35.4 14.1 112 568 A H H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.949 108.8 45.0 -65.9 -44.8 1.3 31.8 14.9 113 569 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.886 110.3 55.1 -65.3 -39.8 3.1 32.0 18.3 114 570 A E H X S+ 0 0 54 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.901 110.2 46.3 -55.9 -42.0 1.4 35.2 19.1 115 571 A T H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.893 110.1 52.6 -71.6 -43.3 -2.0 33.5 18.5 116 572 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.921 112.0 47.5 -57.0 -43.0 -1.0 30.4 20.6 117 573 A L H X S+ 0 0 30 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.940 111.5 48.9 -63.7 -49.8 -0.1 32.8 23.3 118 574 A E H X S+ 0 0 77 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.914 113.9 46.8 -54.8 -46.4 -3.3 34.8 23.1 119 575 A V H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.953 113.4 47.5 -65.2 -46.6 -5.4 31.6 23.1 120 576 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.888 111.5 50.7 -63.4 -40.5 -3.6 30.1 26.0 121 577 A V H X S+ 0 0 51 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.951 115.0 42.8 -59.1 -53.9 -3.8 33.3 28.1 122 578 A T H < S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.918 112.8 53.3 -58.7 -44.5 -7.5 33.6 27.5 123 579 A L H < S+ 0 0 94 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.834 113.6 41.4 -66.2 -31.5 -8.1 29.9 28.1 124 580 A S H < 0 0 29 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.812 360.0 360.0 -91.2 -30.5 -6.3 30.0 31.5 125 581 A Q < 0 0 179 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.467 360.0 360.0 -93.1 360.0 -7.7 33.3 32.8 126 ! 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 0.0 127 585 A P 0 0 182 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 22.4 -7.0 29.0 39.2 128 586 A V - 0 0 46 1,-0.0 2,-0.1 -3,-0.0 -3,-0.1 -0.749 360.0-132.7 -87.9 128.0 -3.9 29.2 36.9 129 587 A S > - 0 0 50 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.343 15.5-120.2 -79.9 157.2 -1.4 26.4 37.3 130 588 A S H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.868 116.4 57.6 -53.1 -38.5 2.4 26.6 37.7 131 589 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 103.2 51.2 -68.4 -38.5 2.6 24.5 34.5 132 590 A T H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 109.2 50.4 -63.7 -45.1 0.6 27.0 32.5 133 591 A Y H X S+ 0 0 141 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.868 109.0 52.2 -62.1 -36.8 2.8 29.8 33.6 134 592 A G H X S+ 0 0 40 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.916 112.0 45.7 -65.5 -41.2 5.9 27.8 32.6 135 593 A F H X S+ 0 0 22 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.879 110.6 53.0 -68.9 -42.9 4.4 27.2 29.1 136 594 A L H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 110.7 49.2 -55.5 -43.6 3.4 30.9 28.8 137 595 A N H X S+ 0 0 84 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.906 112.3 45.9 -56.4 -50.9 7.0 31.7 29.6 138 596 A R H X S+ 0 0 118 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.922 114.6 48.5 -63.9 -42.1 8.5 29.3 27.1 139 597 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.925 113.6 46.4 -63.0 -47.7 6.1 30.4 24.4 140 598 A A H X S+ 0 0 31 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.873 111.3 50.6 -64.2 -41.3 6.8 34.1 25.1 141 599 A E H X S+ 0 0 112 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.898 113.1 47.7 -63.6 -42.1 10.6 33.5 25.1 142 600 A A H X S+ 0 0 7 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.914 111.7 51.2 -58.7 -46.7 10.3 31.7 21.7 143 601 A K H X S+ 0 0 54 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.925 113.5 42.5 -61.3 -45.0 8.2 34.5 20.3 144 602 A I H X S+ 0 0 75 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.862 111.6 53.1 -75.1 -35.4 10.5 37.2 21.3 145 603 A T H X S+ 0 0 49 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.946 111.7 48.5 -58.4 -44.6 13.6 35.3 20.2 146 604 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.874 108.2 54.6 -60.0 -45.9 11.9 34.8 16.8 147 605 A S H X S+ 0 0 55 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.889 110.2 47.0 -51.9 -47.7 11.0 38.6 16.7 148 606 A Q H X S+ 0 0 109 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 114.3 44.7 -62.8 -50.0 14.7 39.4 17.2 149 607 A Q H X S+ 0 0 54 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.892 115.4 49.7 -65.3 -37.9 16.0 37.0 14.5 150 608 A L H X S+ 0 0 14 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.935 109.3 50.1 -66.6 -45.1 13.3 38.1 12.2 151 609 A N H X S+ 0 0 78 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.893 110.8 51.3 -57.8 -44.3 14.1 41.9 12.8 152 610 A T H X S+ 0 0 74 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.935 111.6 46.4 -60.1 -47.2 17.8 41.2 12.1 153 611 A L H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.873 111.9 50.3 -62.8 -42.6 16.9 39.4 8.8 154 612 A Q H X S+ 0 0 76 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.843 109.8 51.5 -62.8 -39.7 14.5 42.2 7.7 155 613 A Q H X S+ 0 0 104 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.927 108.7 50.4 -65.4 -41.9 17.2 44.8 8.5 156 614 A Q H X S+ 0 0 103 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.885 110.6 50.2 -57.6 -41.1 19.7 42.9 6.4 157 615 A Q H X S+ 0 0 42 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.881 107.8 52.5 -64.5 -39.5 17.1 42.8 3.6 158 616 A E H X S+ 0 0 127 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.930 111.3 48.0 -60.0 -44.5 16.5 46.6 3.9 159 617 A S H X S+ 0 0 67 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.849 111.0 50.6 -64.3 -42.2 20.2 47.1 3.5 160 618 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.886 110.9 48.4 -61.2 -43.0 20.4 44.7 0.5 161 619 A K H X S+ 0 0 69 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.893 110.8 51.6 -65.2 -39.0 17.6 46.5 -1.2 162 620 A A H X S+ 0 0 50 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 110.3 48.5 -61.8 -44.8 19.3 49.9 -0.5 163 621 A Q H X S+ 0 0 82 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.863 108.4 55.0 -65.4 -35.8 22.6 48.6 -2.0 164 622 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.957 108.6 47.9 -59.5 -46.9 20.7 47.3 -5.0 165 623 A S H X S+ 0 0 44 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.904 111.8 48.6 -61.4 -44.4 19.2 50.8 -5.6 166 624 A I H X S+ 0 0 89 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.939 112.6 48.9 -62.3 -48.8 22.6 52.5 -5.3 167 625 A L H X S+ 0 0 12 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.904 113.1 45.8 -58.4 -45.2 24.3 50.1 -7.7 168 626 A I H < S+ 0 0 9 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.931 115.9 47.2 -64.8 -46.1 21.6 50.4 -10.3 169 627 A N H >< S+ 0 0 121 -4,-2.7 3,-1.4 -5,-0.2 -2,-0.2 0.949 112.1 48.1 -64.3 -47.7 21.7 54.2 -9.9 170 628 A R H >< S+ 0 0 183 -4,-3.4 3,-1.3 1,-0.2 -1,-0.2 0.789 99.7 69.5 -57.6 -32.7 25.5 54.5 -10.1 171 629 A S G >X S+ 0 0 5 -4,-1.5 4,-3.1 -5,-0.2 3,-1.9 0.658 74.7 87.2 -62.6 -17.9 25.6 52.2 -13.2 172 630 A G G <4 S+ 0 0 59 -3,-1.4 4,-0.3 -4,-0.4 -1,-0.2 0.730 74.8 68.4 -56.9 -25.3 23.9 55.0 -15.3 173 631 A S G <4 S+ 0 0 76 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.1 0.787 124.1 7.2 -65.4 -27.4 27.3 56.5 -16.1 174 632 A W T <> S+ 0 0 6 -3,-1.9 4,-2.6 -4,-0.2 5,-0.3 0.586 104.5 91.9-126.0 -17.0 28.2 53.5 -18.2 175 633 A A H X S+ 0 0 5 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.867 88.2 40.0 -62.1 -49.6 25.2 51.2 -18.6 176 634 A D H > S+ 0 0 102 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.922 118.4 47.6 -69.2 -40.6 23.5 52.3 -21.8 177 635 A V H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 114.9 46.8 -66.2 -44.6 26.7 52.9 -23.8 178 636 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.885 111.8 50.7 -62.2 -44.1 28.1 49.5 -22.7 179 637 A R H X S+ 0 0 53 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.951 114.0 44.2 -57.9 -52.4 24.8 47.7 -23.5 180 638 A Q H X S+ 0 0 90 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.859 113.0 51.2 -60.2 -42.6 24.7 49.2 -27.0 181 639 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.890 112.6 45.7 -63.0 -39.3 28.4 48.5 -27.5 182 640 A L H X S+ 0 0 12 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.919 111.0 54.3 -71.9 -43.3 28.0 44.8 -26.5 183 641 A Q H X S+ 0 0 115 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.913 108.6 47.9 -51.9 -50.4 24.8 44.5 -28.7 184 642 A R H X S+ 0 0 107 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.899 111.0 52.5 -60.5 -42.4 26.8 45.8 -31.7 185 643 A F H >X S+ 0 0 20 -4,-2.0 4,-0.9 2,-0.2 3,-0.6 0.964 113.0 43.3 -49.0 -58.3 29.6 43.3 -30.8 186 644 A D H 3< S+ 0 0 73 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.873 115.0 50.2 -65.1 -34.7 27.1 40.4 -30.7 187 645 A S H 3< S+ 0 0 108 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.737 122.3 28.8 -74.6 -27.2 25.3 41.5 -33.9 188 646 A T H << S+ 0 0 90 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.261 85.1 139.1-116.2 6.9 28.3 42.0 -36.1 189 647 A R < - 0 0 127 -4,-0.9 2,-0.1 -3,-0.4 18,-0.1 -0.370 48.6-131.1 -66.1 126.2 30.7 39.4 -34.5 190 648 A P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.394 35.6 -89.9 -65.1 153.5 32.8 37.4 -37.1 191 649 A V - 0 0 92 -2,-0.1 2,-0.4 1,-0.1 16,-0.1 -0.428 44.0-116.0 -59.9 132.9 32.9 33.6 -36.7 192 650 A V - 0 0 62 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.672 28.3-148.3 -72.8 130.2 35.8 32.5 -34.5 193 651 A K - 0 0 72 -2,-0.4 7,-0.0 7,-0.1 -1,-0.0 -0.776 12.1-164.7-100.1 142.9 38.3 30.4 -36.4 194 652 A F + 0 0 183 -2,-0.3 2,-0.1 0, 0.0 -1,-0.1 0.540 64.4 74.7-108.4 -8.8 40.2 27.6 -34.6 195 653 A G - 0 0 23 2,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.451 67.0-141.8-102.2 174.4 42.8 27.1 -37.2 196 654 A T + 0 0 123 -2,-0.1 5,-0.1 8,-0.0 -1,-0.1 0.146 49.8 141.9-119.1 13.8 45.9 28.9 -38.3 197 655 A E > - 0 0 82 1,-0.1 3,-1.8 2,-0.1 4,-0.2 -0.274 60.6-123.6 -58.7 142.5 45.6 28.3 -42.0 198 656 A Q G > S+ 0 0 157 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.840 108.6 66.7 -57.0 -35.4 46.6 31.3 -44.2 199 657 A Y G 3 S+ 0 0 176 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.604 104.0 44.4 -65.1 -12.4 43.2 31.2 -45.9 200 658 A T G <> S+ 0 0 11 -3,-1.8 4,-2.4 2,-0.1 -1,-0.3 0.232 84.0 99.9-108.2 10.3 41.5 32.2 -42.5 201 659 A A H <> S+ 0 0 22 -3,-1.9 4,-2.2 2,-0.2 5,-0.2 0.924 84.1 48.1 -62.0 -44.5 44.1 34.9 -41.7 202 660 A I H > S+ 0 0 101 -4,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.941 111.3 49.8 -60.8 -47.5 41.8 37.7 -42.9 203 661 A H H > S+ 0 0 79 -4,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.932 112.1 48.9 -53.7 -45.3 38.8 36.3 -40.9 204 662 A R H X S+ 0 0 75 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.879 110.0 49.8 -68.7 -34.7 41.1 36.2 -37.8 205 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