==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-NOV-11 3UI7 . COMPND 2 MOLECULE: CAMP AND CAMP-INHIBITED CGMP 3',5'-CYCLIC PHOSPHO . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.YANG,J.SMOTRYSKI,W.MCELROY,G.HO,D.TULSHIAN,W.J.GREENLEE,R. . 630 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 74.9 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 . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 2 2 3 0 0 0 0 4 2 4 2 0 3 5 1 1 0 0 0 1 0 1 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 1 456 A W > 0 0 112 0, 0.0 4,-0.6 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 -20.0 24.9 6.0 68.8 2 457 A Q H >> + 0 0 157 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.878 360.0 49.0 -64.8 -44.0 26.0 6.6 72.4 3 458 A G H 34 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.760 103.6 62.4 -66.9 -28.7 24.2 10.0 72.8 4 459 A L H 34 S+ 0 0 24 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.736 93.0 66.4 -67.6 -27.6 21.0 8.4 71.4 5 460 A M H << S+ 0 0 78 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.852 100.4 45.6 -65.2 -41.3 20.9 6.0 74.4 6 461 A Q S < S+ 0 0 187 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.597 88.1 119.5 -80.1 -13.8 20.2 8.7 77.1 7 462 A F - 0 0 64 -4,-0.5 2,-0.3 -3,-0.4 -3,-0.0 -0.216 38.6-178.2 -56.1 138.9 17.5 10.4 74.9 8 463 A T - 0 0 127 29,-0.0 26,-0.1 0, 0.0 25,-0.0 -0.986 29.0-114.6-141.9 128.1 14.0 10.6 76.4 9 464 A L - 0 0 16 -2,-0.3 2,-0.1 24,-0.2 5,-0.1 -0.411 33.1-110.2 -65.1 133.4 11.0 12.2 74.5 10 465 A P >> - 0 0 54 0, 0.0 3,-1.6 0, 0.0 4,-1.3 -0.439 25.1-121.6 -66.4 137.3 9.5 15.4 76.0 11 466 A V H 3> S+ 0 0 128 1,-0.3 4,-0.8 2,-0.2 -2,-0.1 0.728 110.5 61.6 -48.3 -31.7 5.9 14.7 77.4 12 467 A R H 3> S+ 0 0 80 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.848 106.6 45.8 -65.2 -37.6 4.4 17.4 75.1 13 468 A L H <> S+ 0 0 1 -3,-1.6 4,-2.8 1,-0.2 3,-0.2 0.843 97.8 70.7 -76.8 -34.7 5.5 15.3 72.1 14 469 A C H < S+ 0 0 32 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.804 104.0 43.4 -48.7 -40.6 4.3 11.9 73.4 15 470 A K H < S+ 0 0 166 -4,-0.8 3,-0.3 -3,-0.2 -1,-0.2 0.835 118.6 42.4 -76.0 -39.6 0.6 13.1 72.9 16 471 A E H >< S+ 0 0 19 -4,-0.8 3,-1.2 -3,-0.2 6,-0.2 0.715 100.0 68.5 -84.4 -23.5 1.2 14.6 69.5 17 472 A I T 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.1 0.695 95.2 60.6 -66.7 -20.1 3.4 11.8 68.0 18 473 A E T 3 S+ 0 0 37 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.619 89.5 92.8 -80.3 -19.0 0.3 9.6 68.1 19 474 A L S < S- 0 0 65 -3,-1.2 3,-0.5 -4,-0.1 65,-0.1 -0.426 75.2-133.5 -81.4 151.3 -1.6 11.9 65.7 20 475 A F S S+ 0 0 11 1,-0.2 -1,-0.1 -2,-0.1 64,-0.1 0.957 103.6 52.5 -68.1 -51.5 -1.8 11.6 61.9 21 476 A H S S+ 0 0 46 204,-0.1 205,-0.4 2,-0.1 -1,-0.2 0.476 80.0 138.9 -62.7 -9.7 -1.1 15.3 61.0 22 477 A F - 0 0 7 -3,-0.5 2,-0.5 -6,-0.2 -5,-0.1 -0.157 41.7-151.7 -48.7 127.5 2.1 15.2 63.2 23 478 A D - 0 0 19 1,-0.1 -1,-0.1 202,-0.0 -2,-0.1 -0.943 15.3-171.3-108.1 121.2 5.1 17.1 61.6 24 479 A I > + 0 0 2 -2,-0.5 3,-2.5 1,-0.2 6,-0.2 0.676 63.8 100.2 -80.8 -24.0 8.6 15.9 62.6 25 480 A G G > S+ 0 0 16 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.713 75.9 50.3 -32.2 -51.9 10.2 18.9 60.8 26 481 A P G 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.492 105.0 60.6 -76.3 -0.2 10.8 21.3 63.8 27 482 A F G X> + 0 0 9 -3,-2.5 3,-2.8 1,-0.1 4,-0.7 -0.138 57.2 152.9-120.9 40.3 12.7 18.5 65.8 28 483 A E G X4 S+ 0 0 93 -3,-0.7 3,-1.0 1,-0.3 -1,-0.1 0.742 75.9 47.3 -36.8 -52.4 15.7 17.5 63.6 29 484 A N G 34 S+ 0 0 114 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.602 109.2 56.6 -71.2 -13.0 18.0 16.4 66.5 30 485 A M G <> S+ 0 0 18 -3,-2.8 4,-2.2 -6,-0.2 -1,-0.2 0.582 79.2 95.0 -93.6 -14.0 15.1 14.3 68.0 31 486 A W H S+ 0 0 14 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.927 117.9 46.7 -61.5 -39.3 16.6 9.1 65.8 33 488 A G H > S+ 0 0 3 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.761 106.9 57.3 -68.4 -31.4 15.1 9.2 69.3 34 489 A I H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.899 107.0 49.0 -66.2 -41.3 11.6 9.6 67.8 35 490 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.881 110.1 51.0 -65.3 -41.6 12.2 6.2 65.9 36 491 A V H X S+ 0 0 15 -4,-1.6 4,-2.5 2,-0.2 3,-0.4 0.963 111.3 47.7 -57.2 -57.9 13.4 4.4 69.1 37 492 A Y H X S+ 0 0 46 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.823 111.2 51.1 -49.8 -46.5 10.3 5.6 71.1 38 493 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.860 111.0 48.2 -63.6 -38.2 8.0 4.5 68.2 39 494 A V H X>S+ 0 0 2 -4,-1.8 4,-2.4 -3,-0.4 5,-1.1 0.918 113.5 47.3 -68.3 -44.7 9.6 1.0 68.1 40 495 A H H <5S+ 0 0 43 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.913 114.7 46.4 -62.6 -45.2 9.3 0.7 72.0 41 496 A R H <5S+ 0 0 138 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.924 121.9 33.5 -64.2 -50.0 5.6 1.8 72.0 42 497 A S H <5S+ 0 0 3 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.918 136.8 16.3 -75.1 -46.1 4.4 -0.4 69.1 43 498 A C T <5S- 0 0 25 -4,-2.4 2,-0.2 -5,-0.3 -3,-0.2 0.932 116.1 -66.5 -93.3 -64.4 6.6 -3.5 69.6 44 499 A G > < - 0 0 22 -5,-1.1 3,-1.2 1,-0.1 4,-0.3 -0.806 28.7-107.6 169.6 150.6 8.2 -3.5 73.1 45 500 A T T 3 S+ 0 0 115 1,-0.3 5,-0.1 -2,-0.2 -5,-0.1 0.748 123.9 26.6 -60.4 -30.7 10.7 -1.8 75.4 46 501 A S T 3 S+ 0 0 110 -6,-0.1 -1,-0.3 1,-0.1 -6,-0.0 -0.027 84.0 123.7-123.0 26.7 13.3 -4.7 75.1 47 502 A C S < S+ 0 0 24 -3,-1.2 2,-0.3 -7,-0.1 -2,-0.1 0.915 83.9 17.6 -51.7 -51.4 12.1 -5.8 71.6 48 503 A F S S- 0 0 10 -4,-0.3 2,-0.7 -3,-0.1 108,-0.1 -0.777 100.5 -91.1-118.2 160.8 15.7 -5.4 70.2 49 504 A E >> - 0 0 89 106,-0.3 4,-2.3 -2,-0.3 3,-1.0 -0.700 40.4-136.7 -74.8 110.6 19.0 -5.0 72.1 50 505 A L H 3> S+ 0 0 56 -2,-0.7 4,-2.9 1,-0.3 5,-0.2 0.763 100.8 55.6 -39.7 -42.2 19.1 -1.2 72.5 51 506 A E H 3> S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.902 113.5 40.5 -60.3 -46.8 22.9 -1.0 71.6 52 507 A K H <> S+ 0 0 40 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.894 114.6 52.9 -69.4 -43.5 22.2 -2.9 68.3 53 508 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.935 113.2 43.7 -56.8 -49.3 19.0 -0.9 67.6 54 509 A C H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.792 113.2 52.1 -68.6 -30.2 20.9 2.4 68.2 55 510 A R H X S+ 0 0 53 -4,-1.5 4,-1.5 97,-0.2 -2,-0.2 0.912 112.8 45.3 -69.9 -43.7 23.8 1.2 66.0 56 511 A F H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.937 111.4 51.3 -63.5 -52.6 21.4 0.2 63.2 57 512 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.914 112.7 45.3 -51.9 -53.6 19.4 3.6 63.3 58 513 A M H X S+ 0 0 60 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.814 112.4 51.6 -61.9 -35.5 22.5 5.8 63.1 59 514 A S H X S+ 0 0 25 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.834 109.3 50.4 -70.2 -34.9 24.0 3.6 60.3 60 515 A V H < S+ 0 0 0 -4,-2.0 3,-0.4 -3,-0.2 -2,-0.2 0.916 108.9 52.2 -67.1 -44.4 20.7 4.0 58.3 61 516 A K H >< S+ 0 0 87 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.880 108.7 50.7 -56.7 -45.9 20.9 7.8 58.8 62 517 A K H 3< S+ 0 0 182 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.759 104.2 59.3 -65.5 -29.7 24.4 7.8 57.5 63 518 A N T 3< S+ 0 0 58 -4,-1.0 48,-1.4 -3,-0.4 2,-0.5 0.347 84.1 95.4 -87.6 9.7 23.3 5.8 54.4 64 519 A Y S < S- 0 0 17 -3,-1.3 8,-0.2 46,-0.2 7,-0.1 -0.884 76.1-124.5-102.1 123.9 20.8 8.5 53.2 65 520 A R - 0 0 103 -2,-0.5 2,-1.0 47,-0.4 7,-0.3 -0.134 20.4-107.2 -66.0 160.3 22.1 10.9 50.6 66 521 A R S S+ 0 0 172 5,-0.1 -1,-0.1 6,-0.1 5,-0.1 -0.250 71.3 142.0 -80.0 42.7 22.2 14.8 50.8 67 522 A V - 0 0 24 -2,-1.0 4,-0.1 3,-0.2 47,-0.1 -0.510 62.9-117.8 -83.2 153.8 19.3 14.9 48.2 68 523 A P S S+ 0 0 57 0, 0.0 3,-0.1 0, 0.0 169,-0.1 0.859 100.8 6.1 -64.7 -34.1 16.6 17.5 48.5 69 524 A Y S S+ 0 0 27 167,-0.2 2,-2.5 168,-0.1 5,-0.5 0.831 117.8 59.7-112.8 -62.7 13.7 15.0 49.0 70 525 A H S S+ 0 0 34 166,-0.1 -5,-0.3 4,-0.1 42,-0.2 -0.313 86.8 116.8 -74.4 58.0 14.6 11.3 49.3 71 526 A N S > S- 0 0 37 -2,-2.5 4,-1.5 -3,-0.1 3,-0.3 -0.408 85.5 -73.2-112.0-173.9 16.8 12.0 52.5 72 527 A W H > S+ 0 0 20 -7,-0.3 4,-1.5 1,-0.2 5,-0.1 0.758 127.3 56.4 -54.1 -36.9 16.8 11.1 56.2 73 528 A K H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 104.5 52.1 -63.8 -48.0 13.8 13.4 56.9 74 529 A H H > S+ 0 0 7 -5,-0.5 4,-2.3 -3,-0.3 -2,-0.2 0.895 108.7 51.2 -54.2 -46.7 11.6 11.6 54.3 75 530 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.838 111.4 46.0 -62.3 -39.1 12.4 8.2 55.9 76 531 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.2 -1,-0.2 0.811 112.1 52.3 -72.5 -35.9 11.4 9.4 59.5 77 532 A T H X S+ 0 0 20 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 111.9 45.7 -63.4 -46.2 8.2 11.0 58.1 78 533 A V H X S+ 0 0 1 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.921 113.5 49.5 -65.3 -47.5 7.3 7.7 56.4 79 534 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 26,-0.3 -2,-0.2 0.893 109.5 52.8 -57.8 -45.9 8.1 5.6 59.6 80 535 A H H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.921 107.6 49.1 -57.2 -52.1 6.0 8.1 61.8 81 536 A C H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.833 110.5 53.1 -56.0 -35.4 2.8 7.7 59.6 82 537 A M H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.929 106.1 52.8 -66.7 -43.2 3.2 3.9 59.7 83 538 A Y H X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 5,-0.2 0.933 109.2 48.4 -56.8 -49.3 3.4 4.1 63.5 84 539 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.804 112.8 48.8 -61.9 -32.8 0.1 6.0 63.6 85 540 A I H X S+ 0 0 0 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.940 115.2 44.1 -70.4 -48.4 -1.5 3.4 61.2 86 541 A L H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.890 112.9 51.4 -63.9 -41.3 -0.2 0.5 63.4 87 542 A Q H >< S+ 0 0 47 -4,-3.3 3,-0.7 1,-0.2 -1,-0.2 0.861 112.8 45.0 -63.8 -39.9 -1.3 2.2 66.7 88 543 A N H 3< S+ 0 0 75 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.540 126.3 31.6 -82.2 -8.1 -4.8 2.8 65.4 89 544 A N T X< S+ 0 0 14 -3,-0.7 3,-1.7 -4,-0.7 4,-0.3 -0.098 78.6 145.7-139.0 33.5 -5.0 -0.8 64.0 90 545 A H G X + 0 0 60 -3,-0.7 3,-1.2 1,-0.3 8,-0.1 0.758 65.0 50.2 -43.4 -54.2 -2.8 -2.7 66.6 91 546 A T G 3 S+ 0 0 142 1,-0.2 -1,-0.3 -4,-0.1 -4,-0.1 0.391 97.8 68.5 -76.7 2.4 -4.5 -6.1 66.8 92 547 A L G < S+ 0 0 74 -3,-1.7 2,-0.4 -6,-0.2 -1,-0.2 0.531 98.5 58.1 -94.0 -8.6 -4.7 -6.7 63.0 93 548 A F S < S- 0 0 8 -3,-1.2 -1,-0.1 -4,-0.3 2,-0.0 -0.970 79.9-125.1-129.2 140.5 -0.9 -7.0 62.8 94 549 A T > - 0 0 71 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.228 30.3-107.4 -75.2 165.1 1.6 -9.4 64.4 95 550 A D H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.894 122.9 52.4 -58.6 -42.4 4.7 -8.4 66.5 96 551 A L H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.801 111.1 47.1 -63.3 -34.4 6.9 -9.6 63.5 97 552 A E H > S+ 0 0 7 -3,-0.3 4,-3.3 2,-0.2 5,-0.2 0.938 111.1 49.4 -73.9 -50.4 4.9 -7.4 61.1 98 553 A R H X S+ 0 0 13 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.895 116.3 43.1 -57.7 -43.6 4.9 -4.2 63.3 99 554 A K H X S+ 0 0 28 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.948 117.6 45.5 -67.1 -47.5 8.8 -4.5 63.8 100 555 A G H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.875 113.1 50.5 -59.6 -45.1 9.4 -5.3 60.1 101 556 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.820 111.8 45.3 -65.7 -38.7 7.1 -2.5 58.8 102 557 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.913 116.5 46.8 -71.0 -43.7 8.6 0.2 61.0 103 558 A I H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.929 112.0 50.7 -62.3 -47.9 12.2 -1.0 60.0 104 559 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 3,-0.5 0.930 108.1 53.1 -57.4 -45.8 11.2 -1.2 56.3 105 560 A C H < S+ 0 0 0 -4,-2.0 -26,-0.3 1,-0.2 -1,-0.2 0.880 110.8 46.4 -60.2 -37.1 9.7 2.4 56.4 106 561 A L H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.788 122.1 37.1 -73.0 -25.8 13.0 3.7 57.8 107 562 A C H >< S+ 0 0 0 -4,-1.6 3,-1.9 -3,-0.5 -2,-0.2 0.501 86.1 103.4-101.1 -12.6 15.1 1.8 55.2 108 563 A H T 3< S+ 0 0 0 -4,-1.8 32,-0.2 1,-0.3 33,-0.1 0.579 90.2 32.0 -52.4 -25.3 12.7 2.1 52.2 109 564 A D T > S+ 0 0 4 -3,-0.2 3,-1.9 -4,-0.2 -1,-0.3 -0.011 83.9 162.5-121.6 27.6 14.7 4.8 50.2 110 565 A L T < S- 0 0 0 -3,-1.9 33,-0.2 1,-0.3 -46,-0.2 -0.283 71.5 -0.7 -55.8 122.5 18.3 3.7 51.4 111 566 A D T 3 S+ 0 0 17 -48,-1.4 -1,-0.3 1,-0.2 -47,-0.1 0.631 87.0 174.8 69.1 22.9 21.1 5.1 49.2 112 567 A H < - 0 0 12 -3,-1.9 -47,-0.4 -42,-0.2 -1,-0.2 -0.326 22.6-157.7 -60.5 135.4 18.6 7.0 46.9 113 568 A R - 0 0 74 2,-0.3 -1,-0.1 -49,-0.1 3,-0.1 0.208 46.8-100.0-101.6 11.5 20.4 9.2 44.3 114 569 A G S S+ 0 0 7 1,-0.3 2,-0.4 -44,-0.1 130,-0.2 0.675 88.0 120.6 75.7 20.7 17.6 11.6 43.5 115 570 A F - 0 0 48 129,-0.1 -2,-0.3 128,-0.1 -1,-0.3 -0.947 58.4-128.3-123.1 140.2 16.7 9.6 40.3 116 571 A S > - 0 0 31 -2,-0.4 4,-1.3 -3,-0.1 3,-0.2 -0.217 27.5-112.5 -74.7 166.6 13.6 7.8 39.1 117 572 A N H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.813 116.0 62.2 -69.3 -30.3 13.4 4.1 37.8 118 573 A S H > S+ 0 0 64 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.838 102.3 49.4 -62.9 -39.2 12.6 5.5 34.3 119 574 A Y H >> S+ 0 0 31 -3,-0.2 4,-2.4 2,-0.2 3,-0.7 0.952 112.8 45.1 -64.3 -55.5 15.9 7.4 34.1 120 575 A L H 3<>S+ 0 0 5 -4,-1.3 5,-1.7 1,-0.2 4,-0.4 0.842 109.9 56.1 -58.6 -41.1 18.1 4.4 35.1 121 576 A Q H 3<5S+ 0 0 81 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.742 114.9 37.6 -66.1 -28.5 16.2 2.0 32.8 122 577 A K H <<5S+ 0 0 97 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.834 116.7 47.6 -93.9 -35.4 16.9 4.2 29.7 123 578 A F T <5S- 0 0 58 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.1 0.291 108.0-124.3 -89.2 13.3 20.4 5.3 30.4 124 579 A D T 5 - 0 0 130 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.803 37.8-175.3 46.2 47.6 21.4 1.7 31.2 125 580 A H >>< - 0 0 66 -5,-1.7 3,-2.5 -6,-0.1 4,-1.1 -0.441 40.7-107.0 -65.5 138.9 22.8 2.4 34.7 126 581 A P H 3> S+ 0 0 97 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.750 120.8 60.8 -38.7 -35.9 24.3 -0.9 36.3 127 582 A L H 3> S+ 0 0 13 1,-0.2 4,-3.1 2,-0.2 -6,-0.1 0.820 102.8 50.3 -60.9 -37.2 21.2 -1.1 38.7 128 583 A A H <4 S+ 0 0 17 -3,-2.5 -1,-0.2 2,-0.2 -7,-0.1 0.806 111.6 47.8 -71.2 -32.7 18.9 -1.4 35.6 129 584 A A H < S+ 0 0 91 -4,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.743 116.8 44.8 -76.7 -26.8 21.1 -4.2 34.3 130 585 A L H < S+ 0 0 120 -4,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.878 129.0 20.1 -82.5 -44.8 21.0 -5.8 37.8 131 586 A Y < - 0 0 35 -4,-3.1 -1,-0.3 1,-0.1 4,-0.1 -0.996 60.2-171.4-131.6 124.5 17.2 -5.3 38.4 132 587 A S S S+ 0 0 94 -2,-0.4 2,-0.3 -3,-0.2 3,-0.3 0.884 75.5 35.9 -81.9 -45.0 14.7 -4.8 35.5 133 588 A T S S+ 0 0 102 1,-0.2 -1,-0.1 2,-0.1 5,-0.1 -0.906 125.5 11.3-113.7 144.7 11.5 -3.9 37.4 134 589 A S S > S+ 0 0 7 -2,-0.3 4,-1.9 3,-0.1 -1,-0.2 0.913 79.0 177.5 54.4 49.2 11.4 -1.9 40.7 135 590 A T H > S+ 0 0 0 -3,-0.3 4,-1.1 2,-0.2 3,-0.3 0.899 71.5 33.4 -45.6 -65.9 15.1 -0.9 40.1 136 591 A M H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.865 115.7 57.8 -63.9 -41.9 15.7 1.5 43.1 137 592 A E H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.778 105.9 49.9 -61.5 -31.6 13.3 -0.5 45.5 138 593 A Q H X S+ 0 0 74 -4,-1.9 4,-1.1 -3,-0.3 -1,-0.2 0.828 112.0 48.7 -75.4 -31.1 15.4 -3.7 44.9 139 594 A H H X S+ 0 0 14 -4,-1.1 4,-2.1 -3,-0.2 -2,-0.2 0.811 107.2 55.7 -74.9 -34.7 18.6 -1.6 45.7 140 595 A H H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.955 111.2 42.9 -64.0 -47.7 17.0 -0.2 48.9 141 596 A F H X S+ 0 0 38 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.780 111.8 56.2 -66.3 -30.2 16.2 -3.7 50.3 142 597 A S H X S+ 0 0 39 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.896 109.9 44.7 -66.2 -42.4 19.7 -4.8 49.1 143 598 A Q H X S+ 0 0 45 -4,-2.1 4,-0.8 -33,-0.2 -2,-0.2 0.786 107.0 61.5 -72.4 -30.1 21.2 -1.9 51.2 144 599 A T H >X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 3,-0.6 0.918 108.2 41.1 -61.1 -50.0 18.9 -2.8 54.2 145 600 A V H 3X S+ 0 0 30 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.798 110.3 59.8 -69.1 -30.4 20.4 -6.4 54.6 146 601 A S H 3< S+ 0 0 55 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.650 107.5 45.4 -72.9 -18.6 23.9 -4.9 54.0 147 602 A I H X< S+ 0 0 4 -4,-0.8 3,-1.3 -3,-0.6 -2,-0.2 0.834 112.1 51.4 -88.8 -40.0 23.4 -2.6 57.1 148 603 A L H 3< S+ 0 0 3 -4,-1.7 5,-0.3 1,-0.2 6,-0.2 0.860 103.6 59.4 -62.0 -38.2 22.0 -5.6 59.1 149 604 A Q T 3< S+ 0 0 148 -4,-2.2 -1,-0.2 4,-0.1 -2,-0.1 0.445 85.4 106.5 -73.4 -1.0 25.1 -7.8 58.2 150 605 A L S X> S- 0 0 81 -3,-1.3 3,-1.7 1,-0.1 4,-0.7 -0.370 89.2 -77.9 -76.2 158.5 27.5 -5.2 59.8 151 606 A E T 34 S- 0 0 185 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.403 115.4 -2.2 -61.7 123.5 29.3 -5.9 63.2 152 607 A G T 34 S+ 0 0 24 -2,-0.2 -1,-0.3 -3,-0.1 -97,-0.2 0.708 111.1 99.6 65.3 27.5 26.8 -5.4 66.1 153 608 A H T <4 + 0 0 20 -3,-1.7 2,-1.1 -5,-0.3 -2,-0.2 0.667 40.2 105.0-112.2 -27.2 24.0 -4.3 63.7 154 609 A N >< + 0 0 36 -4,-0.7 3,-0.8 -6,-0.2 -101,-0.1 -0.487 39.3 174.6 -66.3 95.9 21.8 -7.4 63.3 155 610 A I G > S+ 0 0 1 -2,-1.1 3,-0.5 1,-0.2 -106,-0.3 0.698 76.7 59.2 -73.1 -26.1 18.9 -6.4 65.5 156 611 A F G > S+ 0 0 2 1,-0.2 3,-1.0 2,-0.1 -1,-0.2 0.216 72.0 106.5 -89.4 10.0 17.0 -9.6 64.4 157 612 A S G < S+ 0 0 69 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.724 72.8 59.9 -61.5 -26.2 19.8 -11.9 65.8 158 613 A T G < S+ 0 0 103 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.1 0.729 91.3 90.9 -73.0 -28.2 17.5 -12.9 68.8 159 614 A L S < S- 0 0 29 -3,-1.0 2,-0.1 1,-0.1 -3,-0.0 -0.264 83.8-105.5 -69.5 158.0 14.8 -14.3 66.4 160 615 A S > - 0 0 66 1,-0.1 4,-3.0 -2,-0.0 3,-0.3 -0.374 35.3-106.3 -75.2 159.8 14.6 -17.9 65.1 161 616 A S H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.842 122.7 53.1 -57.2 -36.8 15.6 -18.7 61.5 162 617 A S H > S+ 0 0 61 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.842 114.1 41.1 -66.6 -39.4 11.9 -19.1 60.6 163 618 A E H > S+ 0 0 77 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.883 113.0 54.4 -76.1 -40.2 11.0 -15.6 62.1 164 619 A Y H X S+ 0 0 60 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.851 112.1 43.9 -60.1 -39.9 14.2 -14.0 60.6 165 620 A E H X S+ 0 0 129 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.828 114.1 50.8 -75.5 -33.1 13.2 -15.2 57.1 166 621 A Q H X S+ 0 0 91 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.925 111.8 46.5 -66.6 -49.0 9.5 -14.2 57.6 167 622 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.867 112.0 50.7 -63.0 -39.7 10.5 -10.6 58.8 168 623 A L H X S+ 0 0 31 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.767 111.8 48.5 -68.8 -28.0 13.0 -10.2 55.8 169 624 A E H X S+ 0 0 72 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.816 109.7 51.3 -80.9 -31.0 10.2 -11.3 53.5 170 625 A I H X S+ 0 0 28 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.938 114.2 44.8 -65.8 -45.4 7.8 -8.8 55.1 171 626 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.849 112.1 51.1 -66.8 -42.2 10.5 -6.1 54.6 172 627 A R H X S+ 0 0 95 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.956 114.1 43.4 -60.7 -53.2 11.3 -7.1 51.0 173 628 A K H X S+ 0 0 76 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.880 115.2 51.0 -58.6 -43.7 7.5 -7.0 50.0 174 629 A A H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.905 112.6 43.6 -61.8 -48.4 7.1 -3.7 51.9 175 630 A I H >< S+ 0 0 0 -4,-2.7 3,-1.0 2,-0.2 -2,-0.2 0.877 113.7 51.7 -66.3 -39.8 10.1 -1.9 50.2 176 631 A I H >< S+ 0 0 34 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.929 102.3 60.5 -61.9 -43.3 9.1 -3.3 46.7 177 632 A A T 3< S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.615 87.9 73.6 -62.5 -13.8 5.5 -2.0 47.3 178 633 A T T < + 0 0 6 -3,-1.0 2,-0.9 -4,-0.4 -1,-0.3 0.602 68.5 104.2 -76.3 -9.2 6.9 1.6 47.6 179 634 A D X> - 0 0 16 -3,-2.3 3,-2.5 -4,-0.2 4,-0.6 -0.648 68.7-152.7 -72.8 103.1 7.5 1.4 43.7 180 635 A L H >> S+ 0 0 55 -2,-0.9 4,-0.8 1,-0.3 3,-0.6 0.764 89.6 72.0 -53.8 -25.4 4.5 3.7 42.8 181 636 A A H 34 S+ 0 0 74 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.743 100.5 47.1 -59.0 -26.6 4.3 1.8 39.4 182 637 A L H <> S+ 0 0 74 -3,-2.5 4,-1.8 -6,-0.2 3,-0.3 0.710 94.8 76.0 -88.4 -25.9 2.9 -1.1 41.4 183 638 A Y H S+ 0 0 43 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.893 116.1 52.8 -70.3 -42.7 -2.8 -2.4 40.1 186 641 A N H X S+ 0 0 25 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.912 110.8 45.7 -57.9 -50.9 -2.6 -3.2 43.8 187 642 A R H X S+ 0 0 62 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.811 109.8 55.4 -63.6 -37.8 -5.3 -0.6 44.8 188 643 A K H X S+ 0 0 131 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.922 108.1 47.8 -62.7 -46.5 -7.6 -1.8 41.9 189 644 A Q H X S+ 0 0 81 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.857 113.5 48.7 -62.1 -39.0 -7.6 -5.4 43.1 190 645 A L H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.817 108.0 53.3 -70.7 -35.7 -8.3 -4.2 46.7 191 646 A E H X S+ 0 0 41 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.874 110.5 48.3 -66.5 -37.8 -11.2 -2.0 45.6 192 647 A E H X S+ 0 0 120 -4,-1.8 4,-1.9 2,-0.2 6,-0.3 0.910 111.6 49.6 -65.3 -46.9 -12.7 -5.1 43.8 193 648 A M H X>S+ 0 0 18 -4,-1.9 6,-1.7 1,-0.2 5,-1.1 0.803 113.3 46.9 -62.4 -36.3 -12.2 -7.2 47.1 194 649 A Y H <5S+ 0 0 98 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.930 111.6 47.4 -73.3 -51.4 -13.9 -4.5 49.2 195 650 A Q H <5S+ 0 0 133 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.870 117.4 42.9 -59.4 -41.9 -17.0 -3.8 47.0 196 651 A T H <5S- 0 0 88 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.747 109.2-126.1 -74.7 -27.1 -17.7 -7.6 46.6 197 652 A G T <5S+ 0 0 63 -4,-0.8 -3,-0.2 -5,-0.2 -4,-0.1 0.586 74.7 123.7 87.0 17.2 -17.0 -8.2 50.3 198 653 A S < + 0 0 67 -5,-1.1 -4,-0.2 -6,-0.3 -5,-0.1 0.551 33.1 118.4 -83.3 -12.9 -14.4 -10.9 49.5 199 654 A L + 0 0 38 -6,-1.7 2,-0.4 -9,-0.1 -9,-0.0 -0.380 37.4 177.2 -62.8 128.6 -11.5 -9.2 51.4 200 655 A N > - 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