==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 08-JUN-09 3HQZ . COMPND 2 MOLECULE: CAMP AND CAMP-INHIBITED CGMP 3',5'-CYCLIC . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.PANDIT,E.S.MARR . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 75.4 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 . 8 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 56.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 1 1 1 0 0 0 2 0 3 1 0 2 2 1 0 0 0 0 0 1 0 0 0 0 0 0 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 1 453 A N 0 0 214 0, 0.0 25,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.7 27.6 -4.1 66.4 2 454 A L - 0 0 24 24,-0.1 21,-0.0 1,-0.1 5,-0.0 -0.265 360.0-115.3 -65.2 132.0 28.0 -3.1 62.8 3 455 A P > - 0 0 55 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.229 27.8-112.9 -54.6 149.6 28.6 -5.7 60.0 4 456 A A H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.872 116.5 53.9 -55.5 -43.2 32.0 -5.5 58.3 5 457 A R H > S+ 0 0 125 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.910 111.2 45.7 -59.6 -43.6 30.4 -4.5 54.9 6 458 A I H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.932 108.2 55.7 -67.3 -46.0 28.6 -1.5 56.6 7 459 A C H < S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.853 117.2 38.0 -51.8 -38.3 31.7 -0.4 58.6 8 460 A R H >< S+ 0 0 155 -4,-1.8 3,-1.1 -5,-0.2 -2,-0.2 0.958 121.5 40.6 -75.7 -55.3 33.5 -0.2 55.2 9 461 A D H >< S+ 0 0 36 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.682 96.5 76.4 -76.5 -21.0 30.8 1.2 53.0 10 462 A I T 3< S+ 0 0 0 -4,-2.9 -1,-0.3 1,-0.3 5,-0.1 0.724 89.1 62.4 -58.8 -23.1 29.3 3.7 55.5 11 463 A E T < S+ 0 0 53 -3,-1.1 -1,-0.3 -5,-0.2 2,-0.3 0.627 83.9 95.7 -80.3 -13.2 32.3 5.9 54.7 12 464 A L S X S- 0 0 70 -3,-1.8 3,-1.6 -4,-0.1 65,-0.1 -0.594 76.7-135.5 -78.8 137.2 31.2 6.2 51.0 13 465 A F T 3 S+ 0 0 15 -2,-0.3 -1,-0.1 1,-0.3 64,-0.1 0.884 106.1 52.3 -55.8 -39.3 29.2 9.3 50.2 14 466 A H T 3 S+ 0 0 66 204,-0.1 205,-0.4 2,-0.0 -1,-0.3 0.173 78.0 141.0 -88.8 16.5 26.8 7.2 48.1 15 467 A F < - 0 0 7 -3,-1.6 2,-0.4 -6,-0.2 -5,-0.1 -0.286 40.6-150.0 -52.5 141.2 26.1 4.6 51.0 16 468 A D - 0 0 61 1,-0.1 -2,-0.0 202,-0.0 -7,-0.0 -0.964 11.3-136.8-116.5 137.2 22.5 3.5 51.1 17 469 A I - 0 0 8 -2,-0.4 3,-0.2 1,-0.2 6,-0.1 0.505 41.6-130.0 -81.3 -1.8 21.2 2.5 54.6 18 470 A G - 0 0 10 1,-0.2 -1,-0.2 5,-0.0 6,-0.1 0.061 23.5 -77.0 81.4 168.1 19.4 -0.6 53.5 19 471 A P S S+ 0 0 100 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.450 95.1 102.0 -85.1 -3.4 15.8 -2.0 54.1 20 472 A F >> - 0 0 131 -3,-0.2 3,-1.5 1,-0.2 4,-0.6 -0.722 50.1-173.0 -90.0 96.6 16.4 -3.2 57.7 21 473 A E G >4 S+ 0 0 90 -2,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.830 79.7 60.6 -60.1 -37.3 14.8 -0.5 59.8 22 474 A N G 34 S+ 0 0 133 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.630 100.3 57.3 -68.3 -15.1 16.0 -1.9 63.1 23 475 A M G <> S+ 0 0 56 -3,-1.5 4,-1.9 1,-0.1 -1,-0.3 0.679 88.1 77.1 -84.8 -21.0 19.6 -1.5 62.0 24 476 A W H S+ 0 0 13 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.919 110.8 46.6 -52.9 -45.4 19.4 3.4 65.1 26 478 A G H > S+ 0 0 40 -4,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.856 109.3 55.0 -65.5 -36.7 22.7 1.5 65.5 27 479 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.917 110.9 45.5 -59.5 -45.4 24.0 3.1 62.2 28 480 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.936 112.0 50.0 -65.1 -48.3 23.2 6.5 63.7 29 481 A V H X S+ 0 0 19 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.918 110.3 52.0 -54.3 -45.2 24.8 5.7 67.1 30 482 A Y H X S+ 0 0 52 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.925 109.9 48.1 -57.8 -47.4 27.9 4.5 65.2 31 483 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.909 112.2 49.5 -60.9 -44.3 28.1 7.8 63.2 32 484 A I H X>S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.6 0.944 111.8 48.8 -54.9 -52.3 27.7 9.8 66.5 33 485 A H H X5S+ 0 0 51 -4,-2.9 4,-1.2 3,-0.2 -2,-0.2 0.849 112.9 47.8 -58.2 -40.2 30.4 7.8 68.2 34 486 A R H <5S+ 0 0 118 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.852 122.7 31.1 -73.5 -35.1 32.8 8.3 65.3 35 487 A S H <5S+ 0 0 9 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.816 136.3 23.1 -87.6 -35.0 32.3 12.0 64.9 36 488 A C H <5S- 0 0 23 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.547 107.7-107.5-114.6 -15.0 31.6 13.0 68.5 37 489 A G ><< - 0 0 30 -4,-1.2 3,-0.8 -5,-0.6 4,-0.4 0.016 26.6 -94.0 95.4 153.4 33.1 10.3 70.7 38 490 A T T 3 S+ 0 0 98 1,-0.2 5,-0.2 -5,-0.2 -1,-0.1 0.649 125.6 55.6 -78.5 -14.4 31.6 7.5 72.7 39 491 A S T 3 S+ 0 0 118 1,-0.1 -1,-0.2 -6,-0.1 -2,-0.1 0.494 84.3 89.6 -90.2 -6.4 31.7 9.8 75.8 40 492 A C S < S+ 0 0 19 -3,-0.8 2,-0.3 1,-0.1 -2,-0.2 0.939 97.9 15.5 -56.6 -55.4 29.7 12.5 74.0 41 493 A F S S- 0 0 12 -4,-0.4 2,-0.5 -3,-0.1 -1,-0.1 -0.917 85.3-106.3-119.7 146.9 26.2 11.3 75.0 42 494 A E > - 0 0 120 -2,-0.3 4,-2.6 106,-0.2 3,-0.3 -0.654 35.5-134.2 -66.5 121.2 25.1 8.9 77.7 43 495 A L H > S+ 0 0 84 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.819 100.1 50.5 -50.0 -45.8 24.2 5.8 75.6 44 496 A E H > S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 113.1 45.2 -61.7 -48.1 20.8 5.1 77.4 45 497 A K H > S+ 0 0 44 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.908 114.4 49.9 -58.5 -47.1 19.6 8.7 77.0 46 498 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.927 111.5 47.8 -59.8 -47.5 20.8 8.7 73.4 47 499 A C H X S+ 0 0 53 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.909 112.0 49.7 -61.3 -45.6 19.0 5.4 72.6 48 500 A R H X S+ 0 0 89 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.908 112.1 48.9 -56.6 -47.3 15.8 6.6 74.3 49 501 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.939 110.0 50.3 -57.4 -51.8 15.9 9.9 72.2 50 502 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.885 110.7 50.0 -58.0 -41.7 16.5 8.1 68.9 51 503 A M H X S+ 0 0 101 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.834 110.5 48.8 -71.0 -33.3 13.5 5.8 69.5 52 504 A S H X S+ 0 0 21 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.854 110.6 51.7 -71.4 -33.9 11.2 8.7 70.4 53 505 A V H >< S+ 0 0 0 -4,-2.2 3,-1.2 2,-0.2 4,-0.3 0.965 109.2 49.9 -62.2 -53.0 12.4 10.5 67.2 54 506 A K H >< S+ 0 0 71 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.896 107.1 56.4 -46.2 -49.8 11.6 7.4 65.1 55 507 A K H 3< S+ 0 0 161 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.738 104.7 52.3 -57.1 -29.2 8.2 7.3 66.8 56 508 A N T << S+ 0 0 47 -3,-1.2 48,-1.4 -4,-0.9 2,-0.3 0.333 89.0 92.1-100.5 6.0 7.4 10.8 65.6 57 509 A Y S < S- 0 0 16 -3,-1.6 2,-0.2 -4,-0.3 7,-0.1 -0.788 75.5-130.7 -87.6 145.5 8.2 10.2 62.0 58 510 A R - 0 0 104 5,-0.4 2,-1.9 -2,-0.3 7,-0.4 -0.567 18.2-106.6 -98.4 160.4 5.2 9.1 59.9 59 511 A R + 0 0 225 -2,-0.2 5,-0.1 5,-0.1 -1,-0.0 -0.473 67.7 141.5 -83.6 66.0 4.7 6.3 57.5 60 512 A V - 0 0 23 -2,-1.9 47,-0.1 3,-0.1 4,-0.1 -0.639 63.5-107.2-101.5 163.9 4.7 8.5 54.4 61 513 A P S S- 0 0 60 0, 0.0 169,-0.1 0, 0.0 3,-0.1 0.873 101.6 -4.5 -61.8 -40.3 6.4 7.5 51.1 62 514 A Y S S+ 0 0 30 167,-0.2 2,-2.6 168,-0.1 5,-0.4 0.768 118.1 66.5-122.7 -53.6 9.5 9.8 51.2 63 515 A H S S+ 0 0 29 166,-0.2 -5,-0.4 4,-0.1 42,-0.3 -0.341 85.5 114.3 -77.6 64.2 9.6 12.2 54.2 64 516 A N S > S- 0 0 34 -2,-2.6 4,-1.9 -7,-0.1 3,-0.2 -0.465 86.2 -74.8-123.7-173.3 10.0 9.4 56.7 65 517 A W H > S+ 0 0 12 -7,-0.4 4,-2.1 1,-0.2 5,-0.2 0.862 126.3 55.8 -56.2 -40.3 12.4 7.8 59.2 66 518 A K H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 107.6 49.7 -61.4 -43.2 14.6 6.3 56.4 67 519 A H H > S+ 0 0 8 -5,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.895 108.1 54.2 -58.3 -44.7 15.0 9.8 54.9 68 520 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.926 111.8 42.0 -58.9 -51.3 16.0 11.2 58.3 69 521 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.847 113.8 54.3 -64.9 -35.3 18.8 8.7 58.8 70 522 A T H X S+ 0 0 16 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.930 109.3 46.8 -64.8 -46.6 19.9 9.0 55.2 71 523 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.931 112.2 51.2 -60.4 -46.9 20.3 12.8 55.5 72 524 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 26,-0.2 -2,-0.2 0.892 107.7 53.6 -57.2 -39.2 22.2 12.3 58.8 73 525 A H H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.910 105.6 51.6 -64.1 -43.5 24.5 9.8 57.0 74 526 A C H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.933 110.0 50.5 -58.9 -42.2 25.3 12.4 54.3 75 527 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.917 108.6 52.1 -58.5 -46.3 26.2 14.9 57.1 76 528 A Y H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.927 109.0 50.3 -53.0 -50.5 28.4 12.2 58.7 77 529 A A H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.886 112.2 46.9 -58.7 -43.8 30.3 11.7 55.4 78 530 A I H < S+ 0 0 0 -4,-2.3 4,-0.3 2,-0.2 3,-0.3 0.947 115.1 45.8 -59.4 -50.4 30.8 15.5 54.9 79 531 A L H >< S+ 0 0 4 -4,-2.7 3,-1.2 1,-0.2 6,-0.2 0.905 111.4 52.2 -63.5 -44.2 32.1 15.9 58.5 80 532 A Q H 3< S+ 0 0 41 -4,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.782 112.8 45.2 -59.5 -33.5 34.4 12.8 58.3 81 533 A N T 3< S+ 0 0 70 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.354 111.3 53.5 -96.3 3.9 36.0 14.2 55.1 82 534 A N S X S- 0 0 10 -3,-1.2 3,-1.8 -4,-0.3 4,-0.5 -0.345 81.2-176.3-133.0 49.3 36.4 17.7 56.4 83 535 A N T 3 + 0 0 141 -3,-0.4 -3,-0.1 1,-0.2 -4,-0.0 -0.172 64.6 13.1 -57.0 135.5 38.2 16.9 59.7 84 536 A G T 3 S+ 0 0 74 2,-0.3 -1,-0.2 -5,-0.1 -5,-0.0 0.398 99.6 97.2 81.4 -1.2 39.0 19.9 62.0 85 537 A L S < S+ 0 0 68 -3,-1.8 2,-0.3 -6,-0.2 -2,-0.1 0.888 78.6 50.2 -83.6 -39.4 36.7 22.4 60.2 86 538 A F S S- 0 0 16 -4,-0.5 -2,-0.3 -7,-0.2 -1,-0.1 -0.789 84.8-116.9-108.3 142.8 33.6 22.0 62.5 87 539 A T > - 0 0 66 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.209 28.5-107.8 -72.3 162.9 33.6 22.2 66.3 88 540 A D H > S+ 0 0 106 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.902 122.8 49.0 -56.4 -40.9 32.6 19.4 68.7 89 541 A L H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 110.8 49.0 -67.1 -42.8 29.3 21.2 69.4 90 542 A E H > S+ 0 0 8 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.914 110.4 51.1 -62.6 -42.8 28.6 21.8 65.7 91 543 A R H X S+ 0 0 47 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.940 113.6 43.7 -63.5 -48.0 29.2 18.2 64.8 92 544 A K H X S+ 0 0 34 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.933 117.1 47.4 -56.7 -52.6 26.8 16.9 67.6 93 545 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.892 111.7 49.1 -58.3 -45.7 24.2 19.6 66.7 94 546 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.884 111.1 48.2 -66.9 -42.5 24.3 18.9 63.0 95 547 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.929 115.6 44.9 -61.7 -45.1 23.9 15.2 63.2 96 548 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.892 111.7 54.1 -64.7 -40.9 21.0 15.5 65.6 97 549 A A H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.928 108.4 48.6 -56.9 -49.4 19.5 18.3 63.4 98 550 A C H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -26,-0.2 0.899 110.6 51.0 -59.4 -41.6 19.6 15.9 60.4 99 551 A L H 3< S+ 0 0 0 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.882 122.0 33.1 -63.9 -34.6 18.0 13.1 62.4 100 552 A C H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.474 86.4 105.8 -97.7 -2.7 15.2 15.5 63.5 101 553 A H T << S+ 0 0 0 -4,-1.1 32,-0.2 -3,-0.6 -1,-0.2 0.571 89.5 32.0 -70.2 -17.8 14.9 17.8 60.4 102 554 A D T > S+ 0 0 4 -3,-0.3 3,-1.5 -4,-0.2 -1,-0.3 0.054 82.2 164.2-118.8 21.7 11.6 16.4 59.0 103 555 A L T < S+ 0 0 0 -3,-2.0 -46,-0.2 1,-0.3 33,-0.2 -0.116 70.6 0.9 -48.0 127.9 9.9 15.4 62.3 104 556 A D T 3 S+ 0 0 20 -48,-1.4 -1,-0.3 1,-0.2 -47,-0.2 0.791 86.6 174.1 66.1 30.4 6.1 14.7 62.0 105 557 A H < - 0 0 13 -3,-1.5 -47,-0.3 -42,-0.3 -1,-0.2 -0.468 23.1-159.0 -68.8 142.1 6.1 15.4 58.3 106 558 A R - 0 0 64 2,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.559 45.2-103.2-100.2 -11.4 2.7 14.7 56.6 107 559 A G S S+ 0 0 6 1,-0.4 2,-0.4 -47,-0.1 130,-0.2 0.603 88.2 112.1 90.2 17.0 4.0 14.3 53.0 108 560 A F - 0 0 56 128,-0.1 -1,-0.4 129,-0.1 -2,-0.3 -0.959 63.5-122.0-123.6 145.7 2.7 17.8 52.1 109 561 A S > - 0 0 34 -2,-0.4 4,-2.0 -3,-0.1 5,-0.1 -0.174 29.5-106.8 -72.0 167.2 4.6 20.9 51.1 110 562 A N H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.867 120.4 58.0 -60.7 -36.9 4.4 24.3 52.9 111 563 A S H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.925 104.9 48.9 -64.0 -44.9 2.4 25.6 49.9 112 564 A Y H > S+ 0 0 16 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.928 109.5 51.8 -60.6 -44.7 -0.3 22.9 50.4 113 565 A L H X>S+ 0 0 2 -4,-2.0 5,-2.7 1,-0.2 4,-1.0 0.912 111.7 48.4 -59.1 -38.8 -0.6 23.7 54.1 114 566 A Q H ><5S+ 0 0 121 -4,-2.2 3,-0.6 2,-0.2 -2,-0.2 0.940 113.0 45.7 -64.4 -49.7 -1.0 27.4 53.2 115 567 A K H 3<5S+ 0 0 113 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.868 113.4 50.6 -63.3 -36.1 -3.7 26.6 50.6 116 568 A F H 3<5S- 0 0 105 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.733 107.4-128.5 -69.7 -23.1 -5.5 24.3 53.0 117 569 A D T <<5 - 0 0 133 -4,-1.0 -3,-0.2 -3,-0.6 -2,-0.1 0.852 40.0-173.6 69.1 39.2 -5.4 27.0 55.7 118 570 A H >>< - 0 0 39 -5,-2.7 3,-1.4 -6,-0.2 4,-1.0 -0.390 35.0-117.9 -64.7 140.3 -3.9 24.4 58.0 119 571 A P H 3> S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.782 114.2 61.7 -48.9 -32.0 -3.5 25.5 61.7 120 572 A L H 3> S+ 0 0 16 1,-0.2 4,-3.3 2,-0.2 -6,-0.1 0.842 98.8 55.0 -64.2 -35.4 0.4 25.1 61.3 121 573 A A H <4 S+ 0 0 18 -3,-1.4 -1,-0.2 -8,-0.2 -7,-0.1 0.771 107.6 50.6 -65.3 -29.1 0.4 27.8 58.5 122 574 A A H < S+ 0 0 83 -4,-1.0 3,-0.3 -3,-0.3 -2,-0.2 0.874 115.6 41.8 -74.8 -38.9 -1.3 30.2 61.0 123 575 A L H < S+ 0 0 119 -4,-1.7 2,-0.5 1,-0.3 -2,-0.2 0.923 130.0 25.6 -72.4 -47.4 1.3 29.4 63.7 124 576 A Y < - 0 0 37 -4,-3.3 -1,-0.3 1,-0.2 4,-0.1 -0.893 66.8-178.9-123.8 97.5 4.3 29.5 61.4 125 577 A S S S+ 0 0 92 -2,-0.5 2,-0.3 -3,-0.3 3,-0.3 0.890 72.3 38.5 -68.2 -38.8 3.6 31.7 58.3 126 578 A T S S+ 0 0 96 1,-0.2 5,-0.2 2,-0.1 -1,-0.1 -0.868 126.7 7.1-117.2 149.2 7.0 31.0 56.7 127 579 A S S > S+ 0 0 14 -2,-0.3 4,-2.7 3,-0.1 5,-0.3 0.909 81.9 176.5 46.5 49.9 9.0 27.8 56.6 128 580 A T H > + 0 0 4 -3,-0.3 4,-1.9 1,-0.2 5,-0.1 0.884 68.5 38.6 -53.7 -57.5 5.9 26.3 58.1 129 581 A M H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.882 115.5 54.5 -64.8 -37.3 6.9 22.6 58.3 130 582 A E H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.900 106.4 50.0 -66.2 -43.0 10.5 23.4 59.2 131 583 A Q H X S+ 0 0 70 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.912 112.7 49.9 -58.2 -42.4 9.4 25.5 62.2 132 584 A H H X S+ 0 0 15 -4,-1.9 4,-2.9 -5,-0.3 -2,-0.2 0.922 106.2 54.3 -60.6 -47.3 7.2 22.6 63.2 133 585 A H H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.906 110.9 46.5 -54.4 -45.1 10.1 20.1 62.9 134 586 A F H X S+ 0 0 39 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 110.4 52.4 -63.7 -42.5 12.2 22.2 65.3 135 587 A S H X S+ 0 0 39 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.923 109.9 49.1 -58.0 -45.5 9.2 22.5 67.7 136 588 A Q H X S+ 0 0 34 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.878 108.5 54.4 -59.0 -42.4 9.0 18.7 67.6 137 589 A T H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.945 110.6 44.9 -56.3 -51.5 12.7 18.4 68.3 138 590 A V H X S+ 0 0 29 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.921 111.2 53.5 -60.3 -47.3 12.5 20.6 71.4 139 591 A S H < S+ 0 0 56 -4,-2.5 4,-0.3 1,-0.2 3,-0.2 0.891 110.5 46.8 -56.3 -44.2 9.4 18.7 72.7 140 592 A I H >< S+ 0 0 6 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.925 110.0 52.8 -63.9 -45.6 11.2 15.4 72.4 141 593 A L H 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.758 105.8 57.1 -58.2 -26.6 14.3 16.8 74.2 142 594 A Q T 3< S+ 0 0 140 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.503 82.9 106.5 -87.1 -6.7 12.0 18.0 77.0 143 595 A L S X S- 0 0 85 -3,-1.6 3,-2.3 -4,-0.3 4,-0.4 -0.427 89.5 -82.1 -71.0 146.7 10.6 14.5 77.7 144 596 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.250 115.2 3.6 -49.5 128.3 11.8 12.7 80.9 145 597 A G T 3 S+ 0 0 28 -3,-0.1 -1,-0.3 1,-0.1 -96,-0.2 0.539 106.9 99.9 71.7 8.9 15.1 11.1 80.3 146 598 A H < + 0 0 16 -3,-2.3 2,-2.0 -5,-0.2 -2,-0.1 0.482 40.4 111.1-102.8 -7.0 15.4 12.4 76.7 147 599 A N > + 0 0 44 -4,-0.4 3,-1.8 1,-0.2 4,-0.1 -0.499 35.6 173.6 -76.4 84.6 17.8 15.4 77.3 148 600 A I T 3 S+ 0 0 5 -2,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.597 78.9 57.7 -63.8 -12.1 20.9 14.1 75.5 149 601 A F T > + 0 0 3 1,-0.2 3,-1.6 -8,-0.1 -1,-0.3 0.161 69.9 112.7-103.6 17.1 22.4 17.6 76.1 150 602 A S T < S+ 0 0 64 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.722 71.7 58.1 -64.7 -24.7 22.0 17.5 79.9 151 603 A T T 3 S+ 0 0 114 -3,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.510 89.8 93.0 -83.1 -7.5 25.8 17.4 80.5 152 604 A L S < S- 0 0 23 -3,-1.6 -3,-0.0 1,-0.1 0, 0.0 -0.533 86.4-104.3 -78.3 152.5 26.2 20.7 78.6 153 605 A S > - 0 0 58 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.246 37.6-103.0 -59.8 164.7 26.3 24.0 80.4 154 606 A S H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 124.7 50.7 -56.0 -43.2 23.1 26.1 80.1 155 607 A S H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 110.6 46.2 -64.1 -48.3 25.0 28.3 77.6 156 608 A E H > S+ 0 0 79 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.851 110.6 55.4 -61.3 -39.0 26.2 25.4 75.4 157 609 A Y H X S+ 0 0 48 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.976 110.7 43.7 -56.0 -56.7 22.6 24.0 75.6 158 610 A E H X S+ 0 0 125 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.876 114.8 52.4 -54.0 -41.0 21.2 27.3 74.2 159 611 A Q H X S+ 0 0 100 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.935 110.3 44.6 -63.9 -49.5 24.1 27.3 71.6 160 612 A V H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.871 111.1 53.8 -65.2 -36.9 23.5 23.8 70.3 161 613 A L H X S+ 0 0 23 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.850 109.0 49.9 -66.1 -33.1 19.7 24.3 70.1 162 614 A E H X S+ 0 0 71 -4,-1.5 4,-2.7 -5,-0.2 -2,-0.2 0.885 109.8 49.9 -71.2 -40.9 20.3 27.5 68.0 163 615 A I H X S+ 0 0 18 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.951 113.9 46.8 -57.7 -49.7 22.7 25.5 65.7 164 616 A I H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.929 111.9 49.8 -58.4 -49.9 19.9 22.9 65.4 165 617 A R H X S+ 0 0 85 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.943 112.9 46.1 -55.2 -53.3 17.2 25.5 64.8 166 618 A K H X S+ 0 0 69 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.905 114.1 49.2 -57.8 -43.4 19.2 27.3 62.0 167 619 A A H X S+ 0 0 1 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.933 112.6 45.9 -64.7 -49.1 20.1 23.9 60.4 168 620 A I H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.938 112.5 50.3 -59.2 -47.5 16.5 22.6 60.4 169 621 A I H >< S+ 0 0 30 -4,-2.7 3,-2.1 1,-0.3 6,-0.2 0.889 102.4 63.1 -59.5 -37.0 15.1 25.9 59.0 170 622 A A H 3< S+ 0 0 17 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.716 86.3 73.0 -60.8 -23.9 17.8 25.9 56.2 171 623 A T T << + 0 0 7 -3,-1.3 2,-1.0 -4,-0.7 -1,-0.3 0.536 67.2 106.0 -70.5 -6.9 16.2 22.6 54.9 172 624 A D X> - 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