==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-NOV-97 2PAX . 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) . 16573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 67.4 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 . 23 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 28.0 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 1 1 0 2 0 1 0 1 0 0 0 0 1 0 0 0 0 0 1 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 0 175 0, 0.0 126,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 165.2 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 -0.330 360.0-163.4 -64.3 135.5 64.4 40.3 3.2 3 664 A K + 0 0 193 -2,-0.1 -1,-0.1 124,-0.1 3,-0.1 0.643 63.0 102.6 -91.3 -15.8 65.6 42.0 6.4 4 665 A L S S- 0 0 32 1,-0.1 126,-0.1 2,-0.1 5,-0.0 -0.201 84.3 -97.0 -66.2 153.8 63.9 39.3 8.6 5 666 A A > - 0 0 47 1,-0.1 4,-1.4 4,-0.0 3,-0.3 -0.322 38.4-110.0 -66.5 158.4 65.8 36.4 10.2 6 667 A K H >> S+ 0 0 146 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.937 115.8 55.5 -59.3 -49.9 65.7 33.2 8.3 7 668 A P H 3> S+ 0 0 38 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.862 110.4 48.0 -51.1 -39.1 63.4 31.2 10.7 8 669 A I H 3> S+ 0 0 9 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.763 109.1 52.8 -71.3 -33.0 60.8 34.1 10.4 9 670 A Q H < S+ 0 0 50 -4,-1.6 3,-0.6 -5,-0.3 -2,-0.2 0.870 109.8 45.2 -66.5 -40.6 54.7 28.5 5.4 15 676 A I H 3< S+ 0 0 4 -4,-2.1 194,-0.3 1,-0.2 -1,-0.2 0.718 117.3 45.6 -79.6 -16.6 51.7 30.4 6.6 16 677 A F T 3< S+ 0 0 12 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.327 78.0 134.4-105.1 9.1 51.0 31.9 3.2 17 678 A D <> - 0 0 63 -3,-0.6 4,-1.3 -4,-0.4 3,-0.4 -0.402 43.0-158.0 -64.4 116.9 51.5 28.8 1.2 18 679 A V H > S+ 0 0 51 -2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.842 88.2 59.5 -66.8 -31.7 48.7 28.5 -1.4 19 680 A E H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.837 102.6 52.5 -67.6 -33.8 49.1 24.8 -1.9 20 681 A S H > S+ 0 0 18 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.892 105.1 55.8 -68.3 -39.4 48.4 24.1 1.8 21 682 A M H X S+ 0 0 2 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.932 110.5 45.0 -58.3 -43.6 45.2 26.2 1.6 22 683 A K H X S+ 0 0 100 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.874 109.6 54.0 -66.9 -42.9 43.9 24.0 -1.3 23 684 A K H X S+ 0 0 83 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.968 107.7 52.3 -56.3 -47.1 44.9 20.8 0.5 24 685 A A H X S+ 0 0 3 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.908 111.9 45.4 -54.7 -47.7 42.9 21.9 3.5 25 686 A M H <>S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 -1,-0.2 0.853 110.5 51.9 -66.4 -37.7 39.8 22.6 1.3 26 687 A V H ><5S+ 0 0 84 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.873 107.5 54.9 -65.9 -36.5 40.1 19.3 -0.6 27 688 A E H 3<5S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.3 52.3 -67.1 -28.6 40.3 17.6 2.9 28 689 A F T 3<5S- 0 0 25 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.367 121.4-115.0 -85.1 2.8 37.0 19.2 3.8 29 690 A E T < 5 + 0 0 65 -3,-1.4 53,-2.3 1,-0.2 -3,-0.2 0.715 59.5 159.1 70.4 25.9 35.7 17.8 0.5 30 691 A I B < -A 81 0A 6 -5,-2.6 2,-0.9 51,-0.2 51,-0.3 -0.448 47.9-116.9 -75.1 152.3 35.1 21.1 -1.1 31 692 A D > - 0 0 29 49,-3.1 4,-3.3 1,-0.1 3,-0.3 -0.855 26.5-169.7 -92.2 100.2 34.9 21.1 -5.0 32 693 A L T 4 S+ 0 0 39 -2,-0.9 -1,-0.1 1,-0.2 5,-0.1 0.648 83.6 58.9 -67.0 -16.4 37.9 23.2 -6.0 33 694 A Q T 4 S+ 0 0 175 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.874 118.1 28.7 -78.6 -42.0 36.7 23.3 -9.6 34 695 A K T 4 S+ 0 0 146 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.787 132.6 39.5 -86.8 -30.3 33.3 24.8 -8.7 35 696 A M S < S- 0 0 0 -4,-3.3 -1,-0.2 45,-0.1 -2,-0.1 -0.719 76.5-177.4-124.6 83.5 34.7 26.6 -5.7 36 697 A P >> - 0 0 61 0, 0.0 3,-2.6 0, 0.0 4,-0.7 -0.337 44.2-100.5 -75.9 161.9 38.2 28.1 -6.2 37 698 A L G >4 S+ 0 0 13 1,-0.3 3,-0.7 2,-0.2 77,-0.1 0.849 122.0 57.5 -48.8 -38.2 40.2 29.9 -3.5 38 699 A G G 34 S+ 0 0 36 1,-0.2 -1,-0.3 76,-0.0 -3,-0.0 0.568 95.7 62.7 -73.2 -8.7 39.2 33.2 -5.0 39 700 A K G <4 S+ 0 0 121 -3,-2.6 -1,-0.2 2,-0.0 -2,-0.2 0.734 75.0 110.1 -86.2 -26.4 35.4 32.6 -4.7 40 701 A L << + 0 0 12 -4,-0.7 2,-0.3 -3,-0.7 3,-0.0 -0.302 43.7 174.5 -53.1 123.3 35.4 32.4 -0.9 41 702 A S > - 0 0 35 -2,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.932 40.1-125.5-132.4 153.1 33.7 35.4 0.7 42 703 A K H > S+ 0 0 94 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.865 113.0 54.2 -62.6 -39.1 32.8 36.2 4.4 43 704 A R H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 107.2 52.6 -61.1 -41.3 29.1 36.8 3.5 44 705 A Q H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 110.8 46.1 -60.4 -44.8 29.1 33.3 1.9 45 706 A I H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.893 109.7 54.4 -68.2 -38.5 30.5 31.8 5.1 46 707 A Q H X S+ 0 0 84 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.944 109.4 47.3 -60.3 -50.1 28.0 33.6 7.3 47 708 A S H X S+ 0 0 58 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.848 109.3 54.3 -59.0 -38.7 25.0 32.3 5.3 48 709 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.907 106.8 51.2 -63.5 -40.5 26.5 28.8 5.4 49 710 A Y H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 109.8 50.4 -60.2 -47.5 26.6 29.1 9.3 50 711 A S H X S+ 0 0 44 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.810 109.1 50.9 -58.6 -40.8 23.0 30.2 9.4 51 712 A I H X S+ 0 0 18 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.929 110.7 48.2 -64.9 -43.2 21.9 27.3 7.2 52 713 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.856 110.5 53.5 -64.6 -32.7 23.8 24.9 9.5 53 714 A N H X S+ 0 0 60 -4,-2.1 4,-1.6 169,-0.2 -1,-0.2 0.931 110.5 45.2 -68.6 -46.8 22.1 26.5 12.5 54 715 A E H X S+ 0 0 89 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.909 113.4 48.4 -62.6 -46.4 18.6 26.0 11.0 55 716 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.867 108.2 55.5 -64.2 -34.1 19.2 22.4 10.0 56 717 A Q H X S+ 0 0 14 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.882 108.5 49.2 -63.5 -40.0 20.6 21.6 13.4 57 718 A Q H X S+ 0 0 99 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.904 110.0 50.1 -66.5 -43.7 17.3 23.0 14.9 58 719 A A H <>S+ 0 0 11 -4,-2.0 5,-3.8 2,-0.2 4,-0.3 0.770 110.4 49.3 -67.5 -30.6 15.2 20.9 12.6 59 720 A V H ><5S+ 0 0 41 -4,-1.7 3,-0.8 3,-0.2 -2,-0.2 0.954 115.8 43.2 -73.3 -48.1 17.0 17.6 13.4 60 721 A S H 3<5S+ 0 0 64 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.881 120.4 40.0 -62.5 -47.0 16.8 18.2 17.1 61 722 A D T 3<5S- 0 0 113 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.340 114.5-109.2 -88.5 7.4 13.2 19.3 17.1 62 723 A G T < 5 + 0 0 65 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.934 50.9 179.1 66.1 47.4 11.9 16.8 14.6 63 724 A G < - 0 0 28 -5,-3.8 -1,-0.1 1,-0.2 5,-0.1 -0.257 43.1 -66.0 -72.2 168.3 11.3 19.2 11.7 64 725 A S > - 0 0 78 1,-0.1 4,-1.8 2,-0.1 -1,-0.2 -0.179 35.4-131.1 -54.6 146.1 10.0 17.9 8.3 65 726 A E H > S+ 0 0 165 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.832 112.9 58.4 -67.1 -28.8 12.3 15.7 6.3 66 727 A S H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.854 102.9 53.3 -67.6 -33.4 11.5 17.9 3.4 67 728 A Q H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.952 109.7 46.3 -65.4 -47.8 12.9 20.8 5.5 68 729 A I H X S+ 0 0 18 -4,-1.8 4,-1.9 1,-0.2 23,-0.4 0.831 113.0 50.6 -63.4 -35.5 16.2 19.0 6.1 69 730 A L H X S+ 0 0 80 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.930 111.0 48.5 -69.7 -43.3 16.4 18.1 2.4 70 731 A D H X S+ 0 0 68 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.934 112.2 47.9 -63.4 -45.6 15.8 21.7 1.4 71 732 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.888 110.4 53.0 -63.0 -38.9 18.4 23.0 3.8 72 733 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.916 109.2 48.6 -61.9 -46.2 21.0 20.4 2.7 73 734 A N H X S+ 0 0 85 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.885 111.4 49.5 -63.3 -39.2 20.5 21.4 -1.0 74 735 A R H X S+ 0 0 108 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.911 111.1 49.8 -67.1 -37.6 21.0 25.0 -0.2 75 736 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.926 112.7 45.6 -63.8 -48.2 24.1 24.3 1.8 76 737 A Y H < S+ 0 0 32 -4,-2.4 5,-0.3 1,-0.2 -1,-0.2 0.670 113.4 50.8 -69.0 -20.5 25.7 22.2 -1.0 77 738 A T H < S+ 0 0 117 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.791 112.4 45.9 -85.3 -31.4 24.8 24.8 -3.6 78 739 A L H < S+ 0 0 49 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.909 128.7 26.5 -75.7 -42.9 26.3 27.6 -1.4 79 740 A I S < S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.2 2,-0.2 -0.887 89.9-141.2-124.2 95.0 29.5 25.5 -0.8 80 741 A P - 0 0 25 0, 0.0 -49,-3.1 0, 0.0 2,-0.3 -0.387 21.0-163.2 -59.8 125.0 30.0 23.0 -3.7 81 742 A H B -A 30 0A 22 -5,-0.3 2,-0.5 -51,-0.3 -51,-0.2 -0.757 14.7-146.1-109.8 157.2 31.3 19.6 -2.5 82 743 A D + 0 0 88 -53,-2.3 3,-0.1 -2,-0.3 -50,-0.1 -0.931 21.9 167.7-128.2 106.7 33.0 16.7 -4.3 83 744 A F > - 0 0 22 -2,-0.5 3,-1.9 1,-0.4 -1,-0.1 0.150 37.6-141.8-101.2 13.7 32.1 13.3 -2.9 84 745 A G T 3 S- 0 0 54 1,-0.3 -1,-0.4 0, 0.0 0, 0.0 -0.352 71.3 -12.8 61.8-131.0 33.5 11.5 -5.9 85 746 A M T 3 S+ 0 0 202 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.2 0.336 117.1 94.5 -85.6 7.0 31.5 8.5 -6.9 86 747 A K S < S- 0 0 115 -3,-1.9 -3,-0.2 1,-0.1 0, 0.0 -0.639 82.3-103.2-101.1 158.4 29.4 8.5 -3.8 87 748 A K - 0 0 183 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.541 45.0-102.4 -73.6 142.9 26.0 10.1 -3.1 88 749 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.493 36.9-123.8 -68.5 125.8 26.1 13.3 -1.0 89 750 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 -0.462 23.5-118.1 -71.8 144.1 25.1 12.8 2.6 90 751 A L - 0 0 76 -2,-0.1 2,-2.2 1,-0.1 3,-0.4 -0.489 22.2-114.1 -76.4 153.5 22.3 14.8 4.0 91 752 A L S S+ 0 0 0 -23,-0.4 -1,-0.1 1,-0.2 -32,-0.1 -0.493 84.9 113.7 -83.3 65.1 22.9 17.2 6.9 92 753 A S + 0 0 61 -2,-2.2 2,-0.4 -33,-0.0 -1,-0.2 0.288 52.9 77.7-121.0 9.5 20.6 15.0 9.0 93 754 A N S > S- 0 0 73 -3,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.979 71.6-142.7-121.6 125.9 23.1 13.7 11.5 94 755 A L H > S+ 0 0 66 -2,-0.4 4,-1.6 1,-0.2 5,-0.1 0.804 101.9 53.4 -59.7 -30.0 24.2 16.0 14.3 95 756 A E H > S+ 0 0 157 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 109.7 47.9 -71.5 -38.8 27.9 14.7 14.1 96 757 A Y H > S+ 0 0 43 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.869 110.1 52.2 -67.0 -39.2 28.1 15.5 10.4 97 758 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.872 108.6 50.9 -64.6 -37.7 26.6 18.9 11.0 98 759 A Q H X S+ 0 0 41 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.881 106.9 54.4 -66.9 -39.8 29.3 19.5 13.7 99 760 A A H X S+ 0 0 46 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.942 109.9 47.8 -58.8 -43.4 31.9 18.4 11.2 100 761 A K H X S+ 0 0 9 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.804 106.6 54.8 -68.8 -32.1 30.6 21.1 8.8 101 762 A V H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.901 108.7 50.8 -67.5 -36.2 30.5 23.8 11.4 102 763 A Q H X S+ 0 0 91 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.893 104.7 56.2 -65.7 -43.6 34.3 23.0 12.0 103 764 A M H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.902 107.4 50.1 -55.2 -42.5 35.0 23.3 8.3 104 765 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.856 103.6 57.5 -66.6 -36.3 33.5 26.8 8.3 105 766 A D H X S+ 0 0 39 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.921 112.7 43.1 -59.5 -40.9 35.6 27.9 11.3 106 767 A N H >X S+ 0 0 22 -4,-1.8 4,-2.1 1,-0.2 3,-0.7 0.884 108.0 56.6 -71.5 -41.2 38.6 27.0 9.2 107 768 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.809 99.9 62.4 -61.4 -28.4 37.3 28.6 6.0 108 769 A L H 3X S+ 0 0 29 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.853 109.4 39.7 -62.6 -39.2 37.0 31.9 7.9 109 770 A D H < S+ 0 0 37 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.897 109.6 56.3 -70.0 -40.2 46.0 39.3 2.5 117 778 A L H 3< S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.810 112.5 40.9 -60.5 -33.9 48.1 37.4 0.0 118 779 A R H 3< S+ 0 0 147 -4,-1.7 3,-0.3 -5,-0.1 -1,-0.2 0.456 101.8 93.4 -95.0 -4.3 46.4 39.1 -3.0 119 780 A G S << S- 0 0 33 -3,-0.8 2,-1.2 -4,-0.5 -3,-0.1 0.313 92.6 -13.9 -70.0-155.9 46.4 42.6 -1.3 120 781 A G S S+ 0 0 48 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 -0.221 76.1 134.7 -52.5 86.9 48.9 45.4 -1.6 121 782 A N + 0 0 60 -2,-1.2 -1,-0.2 -3,-0.3 10,-0.1 0.175 35.5 103.5-118.6 12.3 51.9 43.7 -3.1 122 783 A E + 0 0 157 2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.784 48.3 110.7 -67.7 -29.0 52.9 46.3 -5.8 123 784 A D - 0 0 55 1,-0.2 3,-0.2 -3,-0.1 8,-0.1 -0.229 43.2-176.1 -51.3 119.9 55.8 47.7 -3.8 124 785 A G S S+ 0 0 74 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.650 74.8 71.2 -93.6 -18.0 59.0 46.8 -5.6 125 786 A D S S+ 0 0 166 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.520 95.3 61.3 -74.9 -8.1 61.3 48.3 -2.9 126 787 A K S S- 0 0 81 -3,-0.2 -124,-0.1 -124,-0.0 0, 0.0 -0.932 88.9-112.1-121.8 146.0 60.4 45.5 -0.4 127 788 A D > - 0 0 22 -2,-0.3 4,-2.2 -126,-0.3 5,-0.2 -0.465 33.3-116.6 -70.7 144.1 61.0 41.7 -0.6 128 789 A P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.865 116.2 53.8 -49.7 -42.3 57.6 39.8 -1.0 129 790 A I H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.941 107.9 48.6 -58.6 -49.9 58.3 38.1 2.4 130 791 A D H > S+ 0 0 11 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.864 110.6 53.3 -60.7 -34.4 58.8 41.4 4.2 131 792 A I H X S+ 0 0 15 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.923 111.1 43.3 -67.5 -45.1 55.6 42.7 2.6 132 793 A N H X S+ 0 0 14 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.824 109.8 57.8 -69.9 -31.8 53.5 39.8 3.8 133 794 A Y H ><>S+ 0 0 36 -4,-2.3 3,-1.6 1,-0.2 5,-0.5 0.944 105.0 51.0 -63.0 -45.0 55.1 39.9 7.2 134 795 A E H ><5S+ 0 0 108 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.782 100.4 64.0 -63.2 -28.0 54.0 43.5 7.6 135 796 A K H 3<5S+ 0 0 38 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.697 93.8 62.5 -67.9 -20.6 50.4 42.5 6.6 136 797 A L T <<5S- 0 0 0 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.692 90.3-149.4 -77.7 -20.3 50.3 40.4 9.8 137 798 A R T < 5 + 0 0 148 -3,-1.0 44,-2.5 -4,-0.5 2,-0.4 0.881 57.2 121.1 50.9 42.7 50.7 43.5 12.0 138 799 A T E < -B 180 0B 8 -5,-0.5 2,-0.5 42,-0.2 42,-0.2 -0.997 64.2-133.3-139.4 123.9 52.5 41.3 14.5 139 800 A D E -B 179 0B 71 40,-2.3 40,-2.0 -2,-0.4 2,-0.4 -0.709 29.2-167.0 -78.4 124.3 56.0 41.8 15.8 140 801 A I E +B 178 0B 4 -2,-0.5 2,-0.3 38,-0.2 38,-0.2 -0.973 10.1 174.6-120.1 132.5 57.8 38.4 15.6 141 802 A K E -B 177 0B 113 36,-2.3 36,-3.0 -2,-0.4 2,-0.5 -0.972 32.1-114.1-136.3 148.1 61.1 37.6 17.2 142 803 A V E -B 176 0B 58 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.704 27.7-135.8 -84.7 124.2 63.2 34.5 17.6 143 804 A V - 0 0 10 32,-2.7 32,-0.4 -2,-0.5 2,-0.3 -0.666 30.5-106.8 -80.7 129.0 63.6 33.3 21.2 144 805 A D > - 0 0 107 -2,-0.4 3,-2.3 1,-0.2 6,-0.4 -0.447 22.7-137.9 -58.2 117.9 67.2 32.3 22.0 145 806 A K T 3 S+ 0 0 54 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.0 0.711 100.3 46.4 -51.0 -25.7 67.3 28.5 22.2 146 807 A D T 3 S+ 0 0 123 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.340 89.6 104.6-104.9 6.6 69.5 28.7 25.2 147 808 A S S <> S- 0 0 33 -3,-2.3 4,-1.7 1,-0.1 5,-0.1 -0.265 82.4-108.4 -81.8 173.3 67.8 31.3 27.3 148 809 A E H > S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.852 117.5 58.6 -68.3 -36.0 65.6 30.7 30.4 149 810 A E H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 110.1 42.8 -57.5 -50.0 62.4 31.5 28.5 150 811 A A H > S+ 0 0 0 -6,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.834 110.8 55.7 -68.1 -35.9 63.1 28.8 26.0 151 812 A K H X S+ 0 0 95 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.940 108.6 47.0 -63.4 -48.1 64.2 26.3 28.7 152 813 A I H X S+ 0 0 37 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.927 113.1 49.0 -59.5 -45.8 60.9 26.6 30.5 153 814 A I H X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.859 110.8 49.4 -64.1 -37.5 58.9 26.3 27.3 154 815 A K H X S+ 0 0 72 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.838 110.5 52.1 -69.9 -29.7 60.8 23.1 26.2 155 816 A Q H X S+ 0 0 73 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.888 108.1 51.1 -68.9 -41.9 60.2 21.8 29.7 156 817 A Y H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 84,-0.4 0.842 112.8 46.4 -62.8 -39.3 56.5 22.5 29.3 157 818 A V H < S+ 0 0 5 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.958 116.0 43.4 -70.2 -51.8 56.5 20.6 25.9 158 819 A K H >< S+ 0 0 141 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.962 116.6 44.5 -59.6 -54.5 58.4 17.6 27.2 159 820 A N H 3< S+ 0 0 26 -4,-2.5 154,-1.1 1,-0.2 -1,-0.2 0.810 111.4 50.8 -64.9 -33.8 56.6 17.1 30.5 160 821 A T T 3< S+ 0 0 0 -4,-1.3 81,-1.3 -5,-0.3 2,-1.1 0.135 71.1 121.9 -94.6 21.6 53.0 17.5 29.3 161 822 A H < - 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