==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-MAY-96 1PAX . COMPND 2 MOLECULE: POLY(ADP-RIBOSE) POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR A.RUF,G.E.SCHULZ . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 16.3 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 . 2 0.6 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 . 1 0.3 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 . 25 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 27.4 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 0 2 0 2 0 0 2 0 1 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 0 1 0 0 1 2 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 1 1 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 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 1 662 A K 0 0 174 0, 0.0 126,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 179.1 66.0 41.1 -0.1 2 663 A S - 0 0 19 1,-0.1 7,-0.0 124,-0.1 4,-0.0 -0.476 360.0-163.3 -71.7 135.2 64.3 40.2 3.2 3 664 A K + 0 0 192 -2,-0.2 -1,-0.1 124,-0.1 3,-0.1 0.624 60.8 104.8 -91.1 -15.0 65.6 41.8 6.4 4 665 A L S S- 0 0 33 1,-0.1 126,-0.1 2,-0.1 5,-0.1 -0.226 83.7 -97.1 -66.4 152.6 63.9 39.2 8.6 5 666 A A > - 0 0 50 1,-0.1 4,-1.4 4,-0.0 3,-0.4 -0.302 41.4-107.7 -63.3 156.6 65.8 36.4 10.3 6 667 A K H >> S+ 0 0 150 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.910 116.4 55.4 -56.5 -48.5 65.7 33.2 8.3 7 668 A P H 3> S+ 0 0 35 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.848 108.5 49.7 -54.5 -37.7 63.3 31.3 10.7 8 669 A I H 3> S+ 0 0 9 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.787 109.1 52.2 -70.3 -32.9 60.7 34.1 10.3 9 670 A Q H < S+ 0 0 49 -4,-1.2 3,-0.7 -5,-0.2 -2,-0.2 0.881 110.5 45.7 -67.4 -42.0 54.7 28.5 5.4 15 676 A I H 3< S+ 0 0 5 -4,-2.2 194,-0.4 1,-0.2 -1,-0.2 0.747 117.6 45.1 -76.8 -18.9 51.6 30.3 6.6 16 677 A F T 3< S+ 0 0 11 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 0.291 78.1 134.6-104.2 10.5 51.0 31.9 3.2 17 678 A D <> - 0 0 60 -3,-0.7 4,-1.3 -4,-0.2 3,-0.5 -0.458 42.0-159.4 -65.7 114.9 51.5 28.7 1.2 18 679 A V H > S+ 0 0 54 -2,-0.5 4,-1.7 1,-0.2 5,-0.2 0.844 87.7 60.1 -64.8 -33.9 48.7 28.5 -1.4 19 680 A E H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 102.6 51.6 -64.4 -37.0 49.0 24.8 -1.9 20 681 A S H > S+ 0 0 20 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.872 105.1 56.9 -67.4 -36.9 48.3 24.1 1.8 21 682 A M H X S+ 0 0 2 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.924 109.7 45.0 -60.6 -42.2 45.2 26.1 1.6 22 683 A K H X S+ 0 0 99 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.884 109.8 54.0 -68.2 -42.3 43.9 23.9 -1.3 23 684 A K H X S+ 0 0 82 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.964 108.0 51.7 -56.2 -46.8 44.9 20.7 0.5 24 685 A A H X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.934 112.2 46.2 -54.0 -49.9 42.8 21.9 3.6 25 686 A M H <>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 -1,-0.2 0.833 110.0 51.6 -63.3 -37.8 39.8 22.5 1.3 26 687 A V H ><5S+ 0 0 83 -4,-2.5 3,-1.3 3,-0.2 -1,-0.2 0.853 107.3 55.3 -68.0 -34.9 40.1 19.2 -0.5 27 688 A E H 3<5S+ 0 0 112 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.814 104.2 52.2 -67.1 -31.2 40.2 17.5 2.9 28 689 A F T 3<5S- 0 0 24 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.357 121.9-115.0 -83.1 2.2 36.9 19.2 3.9 29 690 A E T < 5 + 0 0 65 -3,-1.3 53,-2.3 1,-0.2 -3,-0.2 0.711 58.2 161.5 70.1 26.4 35.7 17.7 0.6 30 691 A I B < -A 81 0A 6 -5,-2.6 2,-1.0 51,-0.2 51,-0.3 -0.445 46.7-116.2 -74.5 150.1 35.1 21.1 -1.1 31 692 A D > - 0 0 30 49,-2.9 4,-2.6 1,-0.2 3,-0.2 -0.823 28.1-170.8 -87.8 100.9 34.8 21.0 -5.0 32 693 A L T 4 S+ 0 0 38 -2,-1.0 -1,-0.2 1,-0.2 5,-0.1 0.682 82.7 57.6 -69.4 -17.9 37.9 23.1 -6.0 33 694 A Q T 4 S+ 0 0 175 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.871 118.8 29.8 -78.4 -38.9 36.7 23.2 -9.6 34 695 A K T 4 S+ 0 0 144 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.704 131.7 38.9 -90.3 -24.5 33.4 24.8 -8.7 35 696 A M S < S- 0 0 0 -4,-2.6 -1,-0.2 45,-0.1 -2,-0.1 -0.673 76.2-177.4-130.2 80.4 34.7 26.6 -5.7 36 697 A P >> - 0 0 62 0, 0.0 3,-2.7 0, 0.0 4,-0.7 -0.305 44.9-100.3 -73.1 162.8 38.2 28.0 -6.2 37 698 A L G >4 S+ 0 0 13 1,-0.3 3,-0.8 2,-0.2 77,-0.1 0.857 122.4 59.3 -49.0 -38.3 40.2 29.8 -3.4 38 699 A G G 34 S+ 0 0 34 1,-0.2 -1,-0.3 76,-0.0 -3,-0.0 0.509 94.4 62.6 -72.5 -6.2 39.2 33.1 -5.0 39 700 A K G <4 S+ 0 0 118 -3,-2.7 -1,-0.2 2,-0.0 -2,-0.2 0.690 75.7 109.2 -89.5 -23.4 35.4 32.5 -4.7 40 701 A L << + 0 0 11 -3,-0.8 2,-0.3 -4,-0.7 3,-0.1 -0.340 43.7 174.2 -57.0 126.0 35.4 32.4 -0.9 41 702 A S > - 0 0 33 -2,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.963 40.5-124.3-135.4 150.6 33.7 35.4 0.8 42 703 A K H > S+ 0 0 95 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.899 113.0 53.3 -56.7 -44.2 32.9 36.2 4.4 43 704 A R H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 106.5 52.9 -57.8 -45.8 29.2 36.8 3.5 44 705 A Q H > S+ 0 0 18 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.874 110.7 46.8 -57.8 -42.4 29.0 33.4 1.9 45 706 A I H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.869 108.6 55.3 -70.6 -36.4 30.4 31.7 5.0 46 707 A Q H X S+ 0 0 85 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.951 108.9 47.7 -60.8 -50.5 28.0 33.7 7.3 47 708 A S H X S+ 0 0 59 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.839 108.5 54.6 -58.7 -38.4 25.0 32.4 5.3 48 709 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.903 105.6 52.7 -64.2 -40.6 26.4 28.8 5.5 49 710 A Y H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.922 109.0 50.8 -58.4 -46.4 26.6 29.0 9.3 50 711 A S H X S+ 0 0 44 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.803 108.4 50.5 -58.9 -41.5 22.9 30.1 9.4 51 712 A I H X S+ 0 0 18 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.910 111.7 48.8 -65.4 -40.6 21.9 27.2 7.2 52 713 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.864 110.1 52.1 -66.6 -34.2 23.7 24.9 9.5 53 714 A N H X S+ 0 0 59 -4,-2.2 4,-1.7 169,-0.2 -1,-0.2 0.937 111.7 45.8 -67.9 -46.4 22.1 26.5 12.5 54 715 A E H X S+ 0 0 89 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.889 113.8 47.2 -62.7 -44.5 18.6 26.0 11.0 55 716 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.868 108.8 55.7 -67.4 -34.0 19.2 22.4 9.9 56 717 A Q H X S+ 0 0 12 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.901 108.8 49.1 -61.7 -41.8 20.6 21.6 13.4 57 718 A Q H X S+ 0 0 94 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.868 109.0 51.2 -66.0 -40.7 17.4 22.9 14.9 58 719 A A H <>S+ 0 0 11 -4,-1.8 5,-4.4 2,-0.2 4,-0.3 0.807 111.0 47.9 -68.1 -34.1 15.2 20.8 12.5 59 720 A V H ><5S+ 0 0 40 -4,-1.7 3,-0.9 3,-0.2 -2,-0.2 0.951 114.6 45.5 -72.0 -48.4 17.1 17.6 13.4 60 721 A S H 3<5S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.907 120.4 39.0 -58.7 -49.2 16.9 18.2 17.2 61 722 A D T 3<5S- 0 0 116 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.319 114.7-108.2 -88.0 8.7 13.2 19.2 17.1 62 723 A G T < 5 - 0 0 66 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.971 50.7-177.8 64.1 52.6 12.0 16.7 14.6 63 724 A G < - 0 0 26 -5,-4.4 -1,-0.1 1,-0.2 5,-0.1 -0.345 40.9 -70.7 -75.4 165.2 11.4 19.1 11.7 64 725 A S > - 0 0 77 1,-0.1 4,-1.8 -2,-0.1 3,-0.2 -0.223 34.3-128.8 -56.9 145.0 10.0 17.8 8.4 65 726 A E H > S+ 0 0 160 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.842 112.2 60.4 -62.8 -29.6 12.3 15.6 6.3 66 727 A S H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 103.1 51.1 -64.6 -37.4 11.4 18.0 3.4 67 728 A Q H > S+ 0 0 76 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.947 109.9 47.7 -64.2 -48.4 12.9 20.8 5.4 68 729 A I H X S+ 0 0 19 -4,-1.8 4,-2.0 1,-0.2 23,-0.4 0.839 112.3 50.8 -62.4 -36.1 16.2 19.0 6.1 69 730 A L H X S+ 0 0 81 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.933 110.7 48.4 -68.9 -43.1 16.4 18.0 2.4 70 731 A D H X S+ 0 0 69 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.912 112.4 48.1 -64.9 -41.5 15.8 21.6 1.3 71 732 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.882 110.7 51.3 -66.5 -39.1 18.5 22.9 3.8 72 733 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.901 110.5 49.7 -63.8 -43.7 21.0 20.3 2.7 73 734 A N H X S+ 0 0 86 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.885 111.2 48.5 -62.9 -41.6 20.5 21.3 -1.0 74 735 A R H X S+ 0 0 107 -4,-2.1 4,-1.8 -5,-0.2 3,-0.3 0.908 111.5 50.0 -66.8 -38.9 20.9 24.9 -0.2 75 736 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.930 111.7 46.5 -63.3 -49.3 24.1 24.3 1.8 76 737 A Y H < S+ 0 0 32 -4,-2.5 5,-0.4 1,-0.2 -1,-0.2 0.614 112.8 51.6 -68.2 -16.6 25.7 22.1 -1.0 77 738 A T H < S+ 0 0 117 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.783 112.5 44.7 -87.6 -32.6 24.8 24.8 -3.5 78 739 A L H < S+ 0 0 50 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.918 128.7 27.8 -75.2 -44.8 26.3 27.5 -1.5 79 740 A I S < S- 0 0 0 -4,-3.0 -1,-0.3 -5,-0.2 2,-0.1 -0.880 90.8-141.3-121.0 93.3 29.5 25.5 -0.8 80 741 A P - 0 0 21 0, 0.0 -49,-2.9 0, 0.0 2,-0.3 -0.349 20.6-162.4 -58.2 128.2 30.0 23.0 -3.7 81 742 A H B -A 30 0A 22 -5,-0.4 2,-0.5 -51,-0.3 -51,-0.2 -0.784 15.5-148.0-113.6 154.7 31.2 19.5 -2.5 82 743 A D + 0 0 89 -53,-2.3 3,-0.1 -2,-0.3 -50,-0.1 -0.918 21.1 168.0-127.1 104.3 32.9 16.7 -4.3 83 744 A F > - 0 0 18 -2,-0.5 3,-1.7 1,-0.3 2,-0.1 0.155 38.0-140.8 -98.7 14.1 32.0 13.3 -2.9 84 745 A G T 3 - 0 0 55 1,-0.2 -1,-0.3 4,-0.0 0, 0.0 -0.356 69.9 -13.1 63.5-132.6 33.5 11.4 -5.8 85 746 A M T 3 S+ 0 0 205 -3,-0.1 -1,-0.2 -2,-0.1 2,-0.2 0.357 117.3 92.8 -85.4 6.4 31.4 8.4 -6.9 86 747 A K S < S- 0 0 115 -3,-1.7 -3,-0.2 1,-0.1 0, 0.0 -0.645 83.6-102.0-101.4 157.8 29.3 8.4 -3.8 87 748 A K - 0 0 182 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.473 45.8-101.7 -71.7 147.1 25.9 10.0 -3.2 88 749 A P - 0 0 71 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.571 37.7-123.7 -72.9 124.9 26.1 13.3 -1.1 89 750 A P - 0 0 50 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.425 24.0-118.5 -68.6 143.2 25.1 12.7 2.5 90 751 A L - 0 0 76 -2,-0.1 2,-2.2 1,-0.1 3,-0.4 -0.475 22.7-112.3 -78.6 154.3 22.2 14.8 3.9 91 752 A L S S+ 0 0 0 -23,-0.4 -32,-0.1 1,-0.2 -1,-0.1 -0.499 85.3 112.5 -82.8 67.1 22.8 17.2 6.8 92 753 A S + 0 0 65 -2,-2.2 2,-0.5 -33,-0.0 -1,-0.2 0.322 52.9 78.7-122.1 5.9 20.5 14.9 9.0 93 754 A N S > S- 0 0 72 -3,-0.4 4,-2.1 1,-0.1 3,-0.4 -0.967 72.6-141.1-117.9 124.6 23.1 13.6 11.4 94 755 A L H > S+ 0 0 67 -2,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.751 102.3 53.3 -58.8 -24.3 24.2 15.9 14.3 95 756 A E H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.866 108.2 47.9 -78.1 -37.3 27.8 14.7 14.0 96 757 A Y H > S+ 0 0 43 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.875 111.4 51.7 -68.8 -37.6 28.1 15.4 10.3 97 758 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.890 108.6 51.4 -64.4 -39.8 26.6 18.9 10.9 98 759 A Q H X S+ 0 0 44 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.885 107.3 52.8 -64.5 -42.0 29.2 19.4 13.7 99 760 A A H X S+ 0 0 48 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.920 110.2 48.8 -59.7 -42.7 31.9 18.4 11.2 100 761 A K H X S+ 0 0 9 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.804 105.5 55.6 -68.3 -34.4 30.6 21.1 8.8 101 762 A V H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.906 109.6 49.2 -64.5 -36.9 30.4 23.8 11.4 102 763 A Q H X S+ 0 0 92 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.863 104.4 57.1 -69.2 -38.4 34.2 23.1 12.0 103 764 A M H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.915 107.3 49.8 -57.9 -43.5 34.9 23.3 8.3 104 765 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.864 103.9 57.9 -64.2 -36.5 33.4 26.8 8.3 105 766 A D H X S+ 0 0 42 -4,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.904 112.7 42.7 -59.3 -39.8 35.6 27.9 11.3 106 767 A N H >X S+ 0 0 21 -4,-1.7 4,-2.0 1,-0.2 3,-0.9 0.883 108.6 56.0 -73.0 -42.0 38.6 26.9 9.1 107 768 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.825 100.2 62.5 -61.7 -29.0 37.3 28.5 5.9 108 769 A L H 3X S+ 0 0 25 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.809 109.4 39.3 -63.5 -35.1 37.0 31.8 7.9 109 770 A D H < S+ 0 0 41 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.903 108.7 58.2 -66.5 -40.5 45.9 39.3 2.5 117 778 A L H 3< S+ 0 0 38 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.833 111.1 40.6 -58.8 -36.7 48.1 37.4 -0.0 118 779 A R T 3< S+ 0 0 146 -4,-1.8 -1,-0.3 -3,-0.1 3,-0.2 0.298 101.0 100.7 -95.3 6.4 46.5 39.1 -3.0 119 780 A G S < S- 0 0 35 -3,-1.5 2,-1.9 1,-0.2 -3,-0.1 0.370 91.5 -21.4 -70.5-151.5 46.5 42.5 -1.2 120 781 A G S S+ 0 0 46 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 -0.365 76.7 139.1 -64.1 83.4 48.9 45.4 -1.7 121 782 A N + 0 0 61 -2,-1.9 -1,-0.2 -3,-0.2 10,-0.1 0.148 36.7 100.9-111.2 15.9 51.9 43.6 -3.1 122 783 A E + 0 0 155 2,-0.0 -1,-0.1 -3,-0.0 -2,-0.1 0.801 48.8 109.7 -72.4 -30.8 52.9 46.2 -5.7 123 784 A D - 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0 0 7 32,-3.1 32,-0.4 -2,-0.4 2,-0.4 -0.681 28.6-106.8 -83.3 132.5 63.5 33.3 21.1 144 805 A D > - 0 0 108 -2,-0.4 3,-2.2 1,-0.2 6,-0.5 -0.463 23.8-140.8 -60.5 116.6 67.1 32.3 22.0 145 806 A K T 3 S+ 0 0 54 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.748 98.1 45.3 -51.8 -30.4 67.2 28.6 22.2 146 807 A D T 3 S+ 0 0 125 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.273 90.1 105.9-102.6 11.1 69.5 28.6 25.2 147 808 A S S <> S- 0 0 30 -3,-2.2 4,-1.7 1,-0.1 5,-0.1 -0.374 81.9-110.9 -85.5 169.3 67.8 31.2 27.3 148 809 A E H > S+ 0 0 125 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.875 117.1 59.5 -64.7 -38.8 65.7 30.5 30.4 149 810 A E H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 110.3 42.2 -54.3 -47.2 62.5 31.5 28.6 150 811 A A H > S+ 0 0 0 -6,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.809 111.1 56.1 -71.8 -33.9 63.2 28.8 26.0 151 812 A K H X S+ 0 0 92 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.944 108.0 47.2 -65.2 -47.4 64.2 26.3 28.7 152 813 A I H X S+ 0 0 36 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.929 112.7 49.6 -58.6 -47.3 60.9 26.6 30.6 153 814 A I H X S+ 0 0 1 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.835 109.8 50.3 -62.2 -37.0 58.9 26.3 27.4 154 815 A K H X S+ 0 0 70 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.844 109.3 52.4 -70.5 -31.6 60.8 23.1 26.3 155 816 A Q H X S+ 0 0 71 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.892 108.1 51.5 -67.5 -40.8 60.1 21.7 29.8 156 817 A Y H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 84,-0.4 0.832 112.7 46.0 -63.2 -39.0 56.4 22.4 29.3 157 818 A V H < S+ 0 0 7 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.957 117.4 41.9 -70.4 -52.8 56.5 20.6 26.0 158 819 A K H >< S+ 0 0 142 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.939 117.0 44.7 -60.3 -53.2 58.4 17.6 27.2 159 820 A N H 3< S+ 0 0 31 -4,-2.7 154,-1.1 1,-0.2 -1,-0.2 0.793 111.2 52.3 -67.1 -30.2 56.6 17.1 30.6 160 821 A T T 3< + 0 0 0 -4,-1.1 81,-1.3 -5,-0.3 2,-1.1 0.119 69.0 123.3 -97.3 23.0 53.1 17.5 29.3 161 822 A H < - 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