==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 03-FEB-12 4DK9 . COMPND 2 MOLECULE: 5'-D(*AP*AP*GP*AP*CP*GP*TP*GP*GP*AP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.A.MANVILLA,E.A.TOTH,A.C.DROHAT . 140 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 65.7 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 0 1 0 2 0 0 1 1 0 0 1 0 0 0 0 0 0 0 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 1 438 A W 0 0 125 0, 0.0 113,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.7 -15.1 -1.6 -6.8 2 439 A T - 0 0 98 111,-0.0 110,-0.1 112,-0.0 109,-0.1 -0.936 360.0-118.8-147.0 117.2 -16.5 -0.5 -10.1 3 440 A P - 0 0 8 0, 0.0 108,-0.1 0, 0.0 13,-0.1 -0.232 35.1-106.7 -65.3 143.4 -18.8 2.7 -10.3 4 441 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 129,-0.0 -0.224 26.6-111.2 -75.0 158.4 -22.3 2.2 -11.6 5 442 A R - 0 0 128 4,-0.0 9,-0.0 2,-0.0 0, 0.0 -0.675 41.6-157.2 -78.8 138.4 -23.4 3.3 -15.1 6 443 A S > - 0 0 8 -2,-0.3 3,-1.1 4,-0.1 123,-0.1 -0.716 29.9-109.7-118.2 170.2 -25.9 6.2 -14.7 7 444 A P T 3 S+ 0 0 91 0, 0.0 -2,-0.0 0, 0.0 122,-0.0 0.354 113.3 63.5 -80.0 6.6 -28.8 7.7 -16.8 8 445 A F T 3 S- 0 0 64 117,-0.1 121,-0.1 2,-0.0 120,-0.0 0.438 91.0-145.5-109.5 -9.4 -26.6 10.8 -17.4 9 446 A N < - 0 0 114 -3,-1.1 5,-0.1 1,-0.1 -4,-0.0 0.758 20.7-170.7 44.3 42.9 -23.8 9.1 -19.3 10 447 A L > - 0 0 9 1,-0.1 3,-1.8 115,-0.1 4,-0.4 -0.263 33.1-120.1 -52.7 144.3 -20.8 11.1 -18.1 11 448 A V T >> S+ 0 0 22 1,-0.3 3,-1.9 2,-0.2 4,-1.6 0.876 111.4 68.7 -57.4 -36.1 -17.5 10.4 -19.9 12 449 A Q H 3> S+ 0 0 6 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.715 84.9 69.2 -55.9 -23.3 -16.1 9.3 -16.6 13 450 A E H <4 S+ 0 0 4 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.698 107.7 35.1 -76.0 -22.1 -18.3 6.3 -16.5 14 451 A T H X4 S+ 0 0 72 -3,-1.9 3,-0.5 -4,-0.4 -1,-0.2 0.764 119.5 48.3 -91.5 -34.5 -16.3 4.6 -19.4 15 452 A L H >< S+ 0 0 4 -4,-1.6 3,-2.4 1,-0.2 7,-0.5 0.568 78.1 102.3 -90.7 -6.6 -12.9 5.9 -18.5 16 453 A F T 3< S+ 0 0 51 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.796 71.8 65.3 -45.7 -35.4 -13.0 5.0 -14.8 17 454 A H T < S+ 0 0 126 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.678 104.0 46.8 -69.5 -16.0 -10.8 1.9 -15.4 18 455 A D S X> S- 0 0 43 -3,-2.4 4,-2.2 1,-0.1 3,-0.7 -0.803 70.6-165.8-126.7 89.8 -7.8 4.0 -16.4 19 456 A P H 3> S+ 0 0 33 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.814 87.2 58.3 -55.7 -33.2 -7.4 6.9 -14.0 20 457 A W H 3> S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.949 107.1 43.7 -53.5 -57.0 -5.0 8.6 -16.4 21 458 A K H <> S+ 0 0 46 -3,-0.7 4,-2.9 1,-0.2 5,-0.2 0.920 112.1 55.4 -57.9 -41.5 -7.5 8.8 -19.3 22 459 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -7,-0.5 -1,-0.2 0.922 108.1 47.4 -62.8 -41.5 -10.2 9.9 -16.9 23 460 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.907 110.2 53.4 -66.1 -35.2 -8.0 12.8 -15.7 24 461 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.966 107.6 50.7 -60.0 -51.1 -7.3 13.7 -19.3 25 462 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.944 108.0 53.0 -51.8 -48.1 -11.0 13.9 -20.1 26 463 A T H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.915 110.8 47.1 -56.7 -40.3 -11.5 16.1 -17.1 27 464 A I H >< S+ 0 0 2 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.877 106.8 56.0 -69.2 -41.0 -8.8 18.5 -18.4 28 465 A F H 3< S+ 0 0 0 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.817 106.7 54.5 -55.1 -30.8 -10.3 18.4 -21.9 29 466 A L T >< S+ 0 0 25 -4,-1.8 3,-1.6 -5,-0.3 2,-0.8 0.523 75.5 123.6 -81.9 -6.0 -13.4 19.6 -20.1 30 467 A N T < S- 0 0 71 -3,-2.0 3,-0.1 1,-0.3 -3,-0.1 -0.410 100.4 -26.7 -63.3 103.4 -11.8 22.6 -18.4 31 468 A R T 3 S+ 0 0 229 -2,-0.8 2,-0.4 1,-0.2 -1,-0.3 0.858 118.1 111.5 64.5 28.0 -13.8 25.6 -19.5 32 469 A T S < S- 0 0 23 -3,-1.6 -1,-0.2 39,-0.0 37,-0.0 -0.987 72.0-110.2-136.7 134.1 -14.8 23.8 -22.7 33 470 A S >> - 0 0 61 -2,-0.4 4,-2.5 1,-0.1 3,-1.0 -0.253 18.1-133.2 -52.2 139.8 -18.3 22.4 -23.9 34 471 A G H 3> S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.950 105.5 70.6 -50.2 -49.7 -18.7 18.7 -24.0 35 472 A K H 34 S+ 0 0 103 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.723 114.4 24.4 -40.9 -30.0 -20.2 19.2 -27.5 36 473 A M H <> S+ 0 0 115 -3,-1.0 4,-1.0 2,-0.1 -1,-0.2 0.818 121.5 50.6-105.0 -46.2 -16.7 20.2 -28.7 37 474 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -3,-0.2 0.835 97.2 67.8 -62.5 -41.3 -14.2 18.5 -26.4 38 475 A I H X S+ 0 0 48 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.924 101.0 43.9 -63.1 -49.1 -15.6 15.0 -26.5 39 476 A P H > S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.920 116.3 48.4 -55.1 -42.5 -14.8 14.2 -30.2 40 477 A V H X S+ 0 0 25 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.922 106.5 58.4 -66.6 -38.0 -11.3 15.7 -29.8 41 478 A L H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.929 105.2 49.6 -53.2 -47.8 -10.8 13.7 -26.6 42 479 A W H X S+ 0 0 111 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.890 111.1 47.4 -63.9 -41.3 -11.3 10.4 -28.5 43 480 A K H X S+ 0 0 95 -4,-1.8 4,-2.3 2,-0.2 -1,-0.3 0.784 109.8 56.1 -67.1 -28.5 -8.9 11.2 -31.2 44 481 A F H X S+ 0 0 1 -4,-2.0 4,-3.7 2,-0.2 -2,-0.2 0.945 105.7 48.8 -70.8 -45.6 -6.5 12.3 -28.5 45 482 A L H < S+ 0 0 13 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.791 108.9 56.3 -67.2 -23.4 -6.7 8.9 -26.8 46 483 A E H < S+ 0 0 74 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.993 116.5 33.4 -61.3 -61.4 -6.1 7.4 -30.3 47 484 A K H < S+ 0 0 100 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.854 133.7 31.4 -67.0 -34.2 -2.8 9.3 -30.9 48 485 A Y < + 0 0 16 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.596 68.3 168.5-122.5 72.0 -1.8 9.2 -27.1 49 486 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 -28,-0.1 0.424 64.0 14.6 -71.8 6.0 -3.3 6.0 -25.7 50 487 A S S > S- 0 0 24 1,-0.1 4,-1.7 -30,-0.1 33,-0.1 -0.964 75.0-103.1-163.0 177.4 -1.3 6.3 -22.5 51 488 A A H > S+ 0 0 2 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.857 114.6 57.0 -79.9 -39.1 0.8 8.3 -20.0 52 489 A E H 4 S+ 0 0 119 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.895 113.3 42.3 -60.4 -38.2 4.1 6.8 -21.0 53 490 A V H >> S+ 0 0 60 1,-0.1 3,-1.0 2,-0.1 4,-0.9 0.941 114.2 51.4 -68.8 -50.7 3.4 7.9 -24.6 54 491 A A H >< S+ 0 0 2 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.834 97.7 60.3 -63.3 -41.4 2.1 11.3 -23.6 55 492 A R T 3< S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.711 109.9 51.9 -58.0 -14.8 4.9 12.7 -21.3 56 493 A T T <4 S+ 0 0 107 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.838 86.9 104.8 -84.6 -44.1 6.9 12.2 -24.5 57 494 A A S << S- 0 0 16 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.0 0.049 76.5-106.6 -56.4 151.4 4.9 14.1 -27.0 58 495 A D >> - 0 0 88 1,-0.2 4,-1.6 2,-0.0 3,-0.5 -0.591 20.2-143.7 -70.8 133.0 5.7 17.5 -28.5 59 496 A W H 3> S+ 0 0 95 -2,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.797 100.9 67.9 -67.4 -29.5 3.3 20.0 -27.0 60 497 A R H 3> S+ 0 0 53 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.871 103.9 45.3 -53.2 -36.9 3.3 21.7 -30.4 61 498 A D H <> S+ 0 0 79 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.932 110.0 50.2 -74.9 -48.7 1.4 18.5 -31.6 62 499 A V H X S+ 0 0 1 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.910 110.2 55.5 -56.0 -41.0 -1.0 18.4 -28.7 63 500 A S H X S+ 0 0 16 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.902 98.8 57.3 -58.3 -48.0 -1.7 22.0 -29.5 64 501 A E H < S+ 0 0 150 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.936 111.6 44.9 -48.7 -51.7 -2.6 21.5 -33.2 65 502 A L H < S+ 0 0 56 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.840 113.2 51.4 -56.5 -37.6 -5.3 19.1 -31.9 66 503 A L H >< S+ 0 0 0 -4,-1.6 3,-4.2 -3,-0.2 -2,-0.2 0.861 85.6 94.7 -83.9 -41.9 -6.5 21.4 -29.2 67 504 A K T 3< S+ 0 0 35 -4,-2.8 4,-0.0 1,-0.3 0, 0.0 -0.753 78.0 49.3 -62.7 133.9 -7.0 24.6 -31.2 68 505 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.778 105.6 62.0 -89.1 22.2 -10.1 24.8 -32.1 69 506 A L S < S- 0 0 17 -3,-4.2 -2,-0.2 1,-0.3 -3,-0.1 0.175 100.8-133.6 -97.9 14.5 -11.1 24.1 -28.5 70 507 A G S S+ 0 0 31 1,-0.1 -1,-0.3 -4,-0.1 -38,-0.0 0.023 85.6 70.0 57.5-178.1 -9.4 27.3 -27.3 71 508 A L > + 0 0 96 1,-0.1 4,-0.8 -3,-0.1 5,-0.1 0.787 68.2 138.2 44.5 31.6 -7.2 27.0 -24.2 72 509 A Y H > + 0 0 109 3,-0.2 4,-1.7 2,-0.1 -6,-0.2 0.784 53.8 47.4 -82.8 -29.7 -4.9 25.1 -26.4 73 510 A D H > S+ 0 0 68 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.988 118.2 36.7 -77.9 -65.7 -1.3 26.3 -25.7 74 511 A L H > S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.947 120.1 50.8 -50.4 -54.8 -1.3 26.3 -21.9 75 512 A R H X S+ 0 0 15 -4,-0.8 4,-3.4 2,-0.2 -1,-0.2 0.885 107.6 51.2 -47.8 -51.2 -3.4 23.1 -21.9 76 513 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.950 112.1 47.9 -56.6 -46.6 -1.2 21.3 -24.4 77 514 A K H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.941 113.9 48.2 -57.0 -45.0 1.8 22.1 -22.2 78 515 A T H X S+ 0 0 25 -4,-2.8 4,-4.1 -5,-0.2 5,-0.3 0.941 105.6 57.0 -59.1 -51.0 -0.1 20.9 -19.1 79 516 A I H X S+ 0 0 1 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.927 109.7 45.0 -50.9 -47.9 -1.2 17.7 -20.7 80 517 A V H X S+ 0 0 24 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.939 117.4 44.3 -62.5 -44.2 2.4 16.7 -21.3 81 518 A K H X S+ 0 0 101 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.919 109.1 55.3 -67.5 -44.0 3.5 17.7 -17.8 82 519 A F H X S+ 0 0 0 -4,-4.1 4,-3.4 1,-0.2 -1,-0.2 0.919 108.7 50.1 -52.6 -47.9 0.5 16.1 -16.1 83 520 A S H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.837 108.4 51.7 -60.2 -41.5 1.4 12.8 -17.8 84 521 A D H >X S+ 0 0 54 -4,-1.7 4,-2.7 2,-0.2 3,-1.0 0.998 116.5 39.3 -55.6 -64.0 5.1 13.1 -16.7 85 522 A E H 3X S+ 0 0 26 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.899 108.4 63.2 -55.9 -44.3 4.1 13.7 -13.0 86 523 A Y H 3< S+ 0 0 36 -4,-3.4 -1,-0.3 -5,-0.3 -2,-0.2 0.881 119.4 26.1 -44.6 -45.0 1.3 11.1 -13.3 87 524 A L H << S+ 0 0 70 -4,-1.5 -2,-0.2 -3,-1.0 -1,-0.2 0.728 130.8 35.6 -92.7 -28.7 3.9 8.5 -14.0 88 525 A T H < S+ 0 0 80 -4,-2.7 2,-0.4 -5,-0.1 -3,-0.2 0.586 104.4 72.5-109.5 -16.2 7.1 9.8 -12.3 89 526 A K S < S- 0 0 118 -4,-2.5 2,-0.3 -5,-0.4 8,-0.0 -0.881 80.5-124.5-101.5 134.4 5.8 11.5 -9.2 90 527 A Q + 0 0 195 -2,-0.4 2,-0.3 6,-0.0 -3,-0.1 -0.572 42.0 163.2 -74.8 134.1 4.4 9.5 -6.3 91 528 A W - 0 0 59 -2,-0.3 -2,-0.0 -5,-0.1 6,-0.0 -0.985 41.5-165.6-154.4 142.8 0.8 10.5 -5.4 92 529 A K S S+ 0 0 100 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.784 92.2 26.6 -89.9 -39.8 -2.2 9.2 -3.5 93 530 A Y S > S- 0 0 58 1,-0.1 3,-2.6 16,-0.0 -1,-0.3 -0.985 72.7-132.3-128.5 139.3 -4.5 11.8 -5.2 94 531 A P G > S+ 0 0 0 0, 0.0 3,-2.6 0, 0.0 6,-0.2 0.673 99.3 81.5 -63.3 -18.2 -4.2 13.5 -8.6 95 532 A I G 3 S+ 0 0 78 1,-0.3 5,-0.3 9,-0.1 4,-0.1 0.869 86.0 62.8 -46.0 -37.9 -5.0 16.8 -6.9 96 533 A E G < S+ 0 0 104 -3,-2.6 -1,-0.3 2,-0.1 2,-0.1 0.641 94.3 84.5 -62.3 -17.6 -1.2 16.5 -6.1 97 534 A L S X S- 0 0 9 -3,-2.6 3,-1.3 -4,-0.2 2,-0.2 -0.435 91.8 -86.4 -94.0 160.1 -0.5 16.6 -9.9 98 535 A H T 3 S+ 0 0 68 1,-0.2 -1,-0.1 -17,-0.2 -12,-0.1 -0.434 108.3 8.3 -71.5 130.9 -0.1 19.5 -12.3 99 536 A G T 3 S+ 0 0 36 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.703 99.0 111.6 75.0 22.8 -3.3 20.8 -13.9 100 537 A I < + 0 0 14 -3,-1.3 -1,-0.2 -5,-0.3 2,-0.1 -1.000 37.4 161.4-125.9 127.8 -5.7 18.8 -11.7 101 538 A G > - 0 0 37 -2,-0.4 4,-2.3 -3,-0.1 5,-0.2 -0.210 60.8 -50.7-124.7-152.2 -7.9 20.7 -9.2 102 539 A K H > S+ 0 0 82 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.902 131.6 54.1 -62.3 -38.3 -11.0 20.0 -7.2 103 540 A Y H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.964 112.1 39.1 -62.9 -57.4 -12.9 18.9 -10.4 104 541 A G H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.897 118.2 51.2 -57.2 -39.1 -10.4 16.2 -11.6 105 542 A N H X S+ 0 0 19 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.917 107.7 51.4 -69.6 -41.6 -9.8 15.1 -8.1 106 543 A D H X S+ 0 0 10 -4,-3.0 4,-1.6 -5,-0.2 5,-0.3 0.950 111.1 48.5 -57.3 -44.0 -13.5 14.7 -7.3 107 544 A S H >X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 3,-0.9 0.962 110.6 51.1 -63.8 -49.8 -14.0 12.6 -10.5 108 545 A Y H 3X>S+ 0 0 27 -4,-2.6 4,-2.7 1,-0.2 5,-0.9 0.934 112.0 47.3 -43.6 -54.6 -11.0 10.5 -9.5 109 546 A R H 3<5S+ 0 0 47 -4,-3.0 6,-1.2 1,-0.2 -1,-0.2 0.635 116.6 41.5 -77.0 -12.9 -12.5 9.9 -6.0 110 547 A I H <<5S+ 0 0 0 -4,-1.6 6,-0.3 -3,-0.9 -1,-0.2 0.811 130.8 22.4 -91.8 -36.6 -16.0 9.1 -7.2 111 548 A F H <5S+ 0 0 0 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.824 124.5 39.1-104.5 -38.5 -14.9 6.9 -10.2 112 549 A C T <5S+ 0 0 26 -4,-2.7 2,-0.3 -5,-0.5 -3,-0.2 0.553 122.6 29.6 -92.5 -13.0 -11.4 5.4 -9.8 113 550 A V S > + 0 0 35 -2,-2.2 3,-1.9 -6,-1.2 4,-0.6 0.221 27.0 122.0-133.7 17.4 -14.8 7.2 -2.1 116 553 A W G >4 + 0 0 14 -6,-0.3 3,-2.2 -3,-0.3 -6,-0.1 0.886 68.9 64.6 -52.9 -44.2 -17.9 8.7 -3.5 117 554 A K G 34 S+ 0 0 104 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.773 105.9 45.6 -49.0 -30.5 -19.5 9.0 -0.1 118 555 A Q G <4 S+ 0 0 113 -3,-1.9 2,-0.3 -9,-0.2 -1,-0.3 0.450 89.7 100.5 -97.6 -3.7 -16.9 11.6 0.9 119 556 A V << - 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