==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 26-AUG-12 4B89 . COMPND 2 MOLECULE: GENERAL NEGATIVE REGULATOR OF TRANSCRIPTION SUBUN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE S288C; . AUTHOR J.BASQUIN,E.CONTI . 230 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 73.0 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 . 4 1.7 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 . 10 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 48.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.5 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 0 0 0 0 0 0 4 1 2 1 0 1 0 0 1 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 . 2 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 1 770 A E 0 0 181 0, 0.0 110,-2.4 0, 0.0 111,-0.4 0.000 360.0 360.0 360.0 132.9 18.6 18.2 7.8 2 771 A M B -A 110 0A 103 108,-0.2 108,-0.2 109,-0.1 107,-0.1 -0.753 360.0-144.4-123.3 163.8 17.0 21.1 9.6 3 772 A I - 0 0 44 106,-2.3 2,-0.1 -2,-0.3 108,-0.0 -0.895 34.6 -98.8-120.7 156.6 15.9 22.2 13.0 4 773 A P - 0 0 119 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.433 23.6-148.9 -71.2 150.4 12.8 24.3 13.9 5 774 A L > - 0 0 42 3,-0.2 3,-1.0 1,-0.1 104,-0.1 -0.886 12.5-175.5-120.5 99.3 13.2 28.1 14.5 6 775 A K T 3 S+ 0 0 139 -2,-0.5 -1,-0.1 1,-0.2 143,-0.1 0.743 81.9 37.3 -64.8 -26.0 10.6 29.1 17.1 7 776 A F T 3 S+ 0 0 54 141,-0.1 138,-2.3 142,-0.1 2,-0.4 0.176 102.1 76.4-121.8 16.9 11.4 32.9 16.9 8 777 A F B < +B 144 0B 6 -3,-1.0 2,-0.3 136,-0.2 136,-0.2 -0.998 53.3 165.6-131.1 126.5 12.1 33.4 13.3 9 778 A A - 0 0 49 134,-2.4 2,-0.5 -2,-0.4 -3,-0.0 -1.000 24.7-145.7-143.4 140.0 9.3 33.6 10.7 10 779 A V - 0 0 36 -2,-0.3 2,-0.1 92,-0.0 133,-0.0 -0.918 16.2-152.1-108.6 131.0 9.1 34.8 7.1 11 780 A D - 0 0 46 -2,-0.5 2,-0.3 1,-0.1 132,-0.0 -0.411 23.8-102.7 -88.8 169.8 5.9 36.4 5.8 12 781 A E - 0 0 148 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.730 32.6-115.2 -91.3 145.1 4.7 36.4 2.2 13 782 A V - 0 0 34 -2,-0.3 2,-0.6 82,-0.0 78,-0.0 -0.694 24.9-133.2 -77.3 126.8 5.1 39.4 0.0 14 783 A S + 0 0 111 -2,-0.5 2,-0.3 2,-0.0 80,-0.1 -0.744 42.5 156.9 -81.9 121.5 1.7 40.9 -1.0 15 784 A C - 0 0 50 -2,-0.6 4,-0.1 1,-0.1 -2,-0.0 -0.963 35.7-178.2-155.5 127.4 1.9 41.6 -4.7 16 785 A Q + 0 0 108 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.572 65.6 95.4-100.1 -14.3 -0.7 41.9 -7.5 17 786 A I S S- 0 0 75 38,-0.1 2,-0.0 1,-0.1 0, 0.0 -0.700 83.9-119.6 -81.1 116.3 1.9 42.4 -10.2 18 787 A N - 0 0 128 -2,-0.6 2,-0.4 1,-0.1 -2,-0.1 -0.322 29.1-135.3 -57.3 129.9 2.6 39.1 -11.9 19 788 A Q - 0 0 49 -4,-0.1 2,-0.3 38,-0.1 38,-0.2 -0.742 25.4-179.2 -96.5 134.7 6.3 38.2 -11.5 20 789 A E - 0 0 96 36,-3.1 40,-0.4 -2,-0.4 2,-0.2 -0.907 33.5-104.3-126.5 155.2 8.4 36.9 -14.4 21 790 A G - 0 0 58 -2,-0.3 36,-0.0 1,-0.1 35,-0.0 -0.546 50.4-103.4 -69.0 143.8 12.0 35.8 -14.9 22 791 A A - 0 0 17 -2,-0.2 -1,-0.1 35,-0.1 31,-0.0 -0.525 33.5-120.5 -73.2 135.3 14.0 38.4 -16.7 23 792 A P >> - 0 0 52 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.303 33.3 -98.1 -68.6 162.2 14.7 37.8 -20.4 24 793 A K H 3> S+ 0 0 185 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.814 122.6 51.8 -53.7 -38.5 18.3 37.6 -21.6 25 794 A D H 3> S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.875 110.9 47.3 -70.5 -35.0 18.4 41.2 -22.8 26 795 A V H <> S+ 0 0 8 -3,-0.6 4,-2.7 2,-0.2 5,-0.2 0.925 110.9 51.6 -69.5 -44.3 17.1 42.6 -19.5 27 796 A V H X S+ 0 0 37 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.932 108.4 52.7 -55.9 -45.6 19.5 40.5 -17.5 28 797 A E H X S+ 0 0 145 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.925 111.5 45.0 -57.4 -46.0 22.4 41.8 -19.7 29 798 A K H X S+ 0 0 88 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.894 113.4 50.1 -66.0 -41.8 21.3 45.4 -19.0 30 799 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.926 111.0 48.4 -64.1 -44.3 20.9 44.9 -15.3 31 800 A L H X S+ 0 0 48 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.873 107.3 56.8 -64.8 -36.2 24.3 43.2 -15.0 32 801 A F H X S+ 0 0 111 -4,-2.0 4,-0.7 -5,-0.3 -1,-0.2 0.925 109.6 45.7 -59.0 -44.4 25.9 46.1 -16.9 33 802 A V H >X S+ 0 0 3 -4,-1.9 4,-1.4 1,-0.2 3,-1.1 0.946 112.9 48.9 -63.2 -48.7 24.4 48.5 -14.3 34 803 A L H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.831 112.2 49.0 -63.3 -31.9 25.5 46.4 -11.3 35 804 A N H 3< S+ 0 0 94 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.584 120.7 33.5 -85.7 -8.9 29.1 46.0 -12.6 36 805 A N H << S+ 0 0 79 -3,-1.1 2,-0.2 -4,-0.7 -2,-0.2 0.408 84.7 118.4-127.1 -1.2 29.6 49.7 -13.4 37 806 A V < + 0 0 8 -4,-1.4 2,-0.3 -5,-0.1 42,-0.1 -0.494 33.5 168.3 -73.2 137.0 27.7 51.5 -10.7 38 807 A T > - 0 0 63 -2,-0.2 4,-0.8 1,-0.1 7,-0.2 -0.863 51.4-100.9-134.4 170.2 29.7 53.8 -8.4 39 808 A L T >4 S+ 0 0 115 -2,-0.3 3,-0.6 1,-0.2 4,-0.3 0.901 123.0 54.1 -58.6 -38.7 28.7 56.5 -5.9 40 809 A A T 34 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.835 118.4 30.9 -67.2 -34.7 29.6 59.1 -8.5 41 810 A N T 3> S+ 0 0 47 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 0.333 86.0 113.7-107.5 10.7 27.4 57.7 -11.3 42 811 A L H S+ 0 0 123 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.922 114.9 42.7 -59.5 -46.9 21.8 58.6 -10.1 44 813 A N H > S+ 0 0 111 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.904 113.5 53.1 -66.9 -40.4 22.3 58.1 -13.8 45 814 A K H X S+ 0 0 36 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.890 109.0 48.6 -62.2 -40.0 22.8 54.4 -13.4 46 815 A V H X S+ 0 0 4 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.905 107.8 54.9 -69.0 -38.9 19.5 54.0 -11.5 47 816 A D H X S+ 0 0 85 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.907 110.9 46.6 -54.6 -42.3 17.7 56.0 -14.2 48 817 A E H >X S+ 0 0 90 -4,-2.1 4,-0.7 1,-0.2 3,-0.6 0.901 109.2 53.8 -68.1 -40.5 19.1 53.5 -16.7 49 818 A L H >X S+ 0 0 2 -4,-2.3 4,-3.7 1,-0.2 3,-1.2 0.899 102.1 58.9 -61.2 -40.7 18.0 50.6 -14.5 50 819 A K H 3< S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.794 98.6 58.9 -60.2 -30.2 14.5 51.9 -14.3 51 820 A K H << S+ 0 0 156 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.778 120.9 26.0 -69.6 -25.3 14.1 51.7 -18.1 52 821 A S H << S+ 0 0 9 -3,-1.2 2,-1.5 -4,-0.7 -2,-0.2 0.820 110.4 66.6-105.8 -44.1 14.9 48.0 -18.0 53 822 A L < + 0 0 3 -4,-3.7 -1,-0.2 -5,-0.2 -4,-0.0 -0.614 65.9 177.4 -90.6 83.5 13.9 46.7 -14.6 54 823 A T > - 0 0 57 -2,-1.5 3,-2.6 -3,-0.1 4,-0.1 -0.393 46.9 -95.8 -79.9 163.1 10.1 47.0 -14.6 55 824 A P G > S+ 0 0 50 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.709 119.5 69.3 -57.7 -25.1 8.0 45.8 -11.6 56 825 A N G 3 S+ 0 0 32 1,-0.3 -36,-3.1 2,-0.1 4,-0.2 0.602 102.8 47.5 -66.9 -8.8 7.3 42.5 -13.2 57 826 A Y G <> S+ 0 0 33 -3,-2.6 4,-2.4 -38,-0.2 -1,-0.3 0.257 80.7 101.0-112.8 9.6 11.0 41.7 -12.7 58 827 A F H <> S+ 0 0 10 -3,-1.5 4,-2.2 2,-0.2 5,-0.2 0.882 83.4 46.8 -65.6 -41.4 11.3 42.8 -9.1 59 828 A S H > S+ 0 0 36 -4,-0.3 4,-2.7 2,-0.2 5,-0.3 0.942 113.1 49.9 -64.6 -47.5 11.2 39.3 -7.6 60 829 A W H > S+ 0 0 51 -40,-0.4 4,-2.5 -4,-0.2 -2,-0.2 0.919 112.6 47.6 -53.3 -46.9 13.7 38.0 -10.1 61 830 A F H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.879 111.6 49.6 -67.8 -38.0 16.0 40.9 -9.3 62 831 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.4 0.931 112.1 47.0 -66.2 -46.2 15.7 40.5 -5.6 63 832 A T H X S+ 0 0 64 -4,-2.7 4,-2.1 1,-0.2 5,-0.4 0.934 117.3 45.6 -59.9 -44.5 16.5 36.7 -5.8 64 833 A Y H X>S+ 0 0 44 -4,-2.5 4,-2.6 -5,-0.3 5,-0.5 0.963 115.2 43.6 -62.2 -54.9 19.4 37.5 -8.1 65 834 A L H X>S+ 0 0 2 -4,-3.3 5,-2.8 1,-0.2 4,-1.4 0.922 119.1 42.4 -62.8 -43.7 20.9 40.4 -6.1 66 835 A V H <>S+ 0 0 0 -4,-2.5 5,-1.7 -5,-0.3 -1,-0.2 0.955 122.9 34.8 -70.7 -47.8 20.6 38.8 -2.7 67 836 A T H <5S+ 0 0 24 -4,-2.1 -2,-0.2 -5,-0.4 -3,-0.2 0.824 127.9 34.6 -79.7 -30.3 21.7 35.2 -3.6 68 837 A Q H <5S+ 0 0 111 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.2 0.665 135.1 11.3 -98.8 -19.3 24.3 36.1 -6.3 69 838 A R T >X< + 0 0 54 -4,-2.0 3,-2.1 1,-0.1 4,-0.2 -0.523 45.0 162.1-128.7 68.6 30.1 40.8 -1.8 74 843 A P G > S+ 0 0 41 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.767 72.9 67.7 -61.1 -26.5 30.0 42.7 1.5 75 844 A N G 3 S+ 0 0 155 1,-0.3 4,-0.3 2,-0.1 3,-0.1 0.690 102.5 47.9 -66.5 -15.4 32.1 45.5 0.1 76 845 A Y G <> S+ 0 0 116 -3,-2.1 4,-2.9 -7,-0.1 5,-0.3 0.359 80.3 98.9-105.9 4.2 29.1 46.4 -2.2 77 846 A H H <> S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.2 5,-0.2 0.931 84.8 47.2 -59.2 -48.1 26.3 46.3 0.5 78 847 A D H > S+ 0 0 71 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.937 114.8 46.4 -59.8 -46.5 26.2 50.1 0.9 79 848 A L H > S+ 0 0 20 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.938 113.4 47.7 -62.4 -46.9 26.2 50.7 -2.8 80 849 A Y H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.870 109.7 53.7 -63.2 -37.9 23.5 48.1 -3.5 81 850 A S H X S+ 0 0 8 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.923 107.5 51.4 -61.6 -40.7 21.4 49.5 -0.7 82 851 A K H X S+ 0 0 79 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.855 106.8 54.4 -65.3 -34.3 21.6 52.9 -2.3 83 852 A V H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.925 108.4 48.5 -62.0 -44.9 20.5 51.5 -5.6 84 853 A I H X>S+ 0 0 3 -4,-2.1 4,-0.8 1,-0.2 5,-0.5 0.929 112.0 49.0 -62.9 -43.6 17.4 50.0 -3.9 85 854 A V H ><5S+ 0 0 85 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.928 110.2 51.3 -59.7 -44.7 16.6 53.4 -2.2 86 855 A A H 3<5S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.783 97.5 66.6 -66.4 -29.0 17.1 55.2 -5.5 87 856 A M H 3<5S- 0 0 16 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.776 92.7-150.1 -62.4 -27.1 14.7 52.8 -7.3 88 857 A G T <<5 + 0 0 68 -3,-1.1 2,-0.5 -4,-0.8 -3,-0.1 0.687 46.4 134.1 68.6 20.8 12.0 54.3 -5.1 89 858 A S >< - 0 0 30 -5,-0.5 4,-1.9 1,-0.1 -1,-0.2 -0.909 42.0-167.6-109.0 121.1 9.8 51.2 -5.0 90 859 A G H > S+ 0 0 47 -2,-0.5 4,-2.5 2,-0.2 -1,-0.1 0.860 93.9 55.7 -67.5 -34.9 8.4 49.8 -1.7 91 860 A L H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 106.7 48.5 -64.2 -45.0 7.5 46.6 -3.5 92 861 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.932 111.5 50.6 -60.5 -44.8 11.1 46.1 -4.6 93 862 A H H X S+ 0 0 32 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.902 108.2 52.8 -59.8 -42.6 12.3 46.7 -1.1 94 863 A Q H X S+ 0 0 94 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.917 109.5 48.3 -60.1 -43.5 9.8 44.2 0.3 95 864 A F H X S+ 0 0 18 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.912 110.2 52.9 -62.4 -41.0 11.1 41.5 -2.1 96 865 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.929 112.4 43.4 -60.9 -47.1 14.7 42.3 -1.1 97 866 A V H X S+ 0 0 27 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.921 113.2 53.8 -64.1 -42.6 13.9 41.9 2.6 98 867 A N H X S+ 0 0 19 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.922 110.0 44.7 -58.2 -48.5 11.9 38.8 1.9 99 868 A V H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.906 112.8 52.9 -64.9 -39.5 14.6 37.0 -0.0 100 869 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.933 110.1 47.4 -61.3 -45.3 17.1 38.0 2.6 101 870 A L H X S+ 0 0 7 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.894 111.7 50.7 -62.1 -41.0 15.0 36.6 5.4 102 871 A R H X S+ 0 0 95 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.910 111.2 47.8 -65.0 -41.4 14.4 33.4 3.5 103 872 A Q H X S+ 0 0 46 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.899 112.9 48.5 -66.8 -39.9 18.1 32.9 2.9 104 873 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.896 108.0 56.0 -64.5 -40.5 18.9 33.6 6.5 105 874 A F H X S+ 0 0 71 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.913 104.6 52.0 -58.2 -44.6 16.2 31.2 7.6 106 875 A V H < S+ 0 0 69 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.926 113.6 43.8 -60.4 -44.6 17.8 28.3 5.6 107 876 A L H >< S+ 0 0 28 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.951 114.3 48.0 -65.9 -49.3 21.2 28.9 7.2 108 877 A L H 3< S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.776 112.0 51.6 -63.6 -25.8 19.9 29.3 10.7 109 878 A S T 3< S+ 0 0 3 -4,-1.9 -106,-2.3 -5,-0.2 2,-0.5 0.450 79.1 115.8 -91.2 -2.7 17.8 26.2 10.4 110 879 A T B < -A 2 0A 23 -3,-1.4 -108,-0.2 -4,-0.4 6,-0.1 -0.561 56.3-153.1 -72.7 120.6 20.6 24.0 9.2 111 880 A K S S+ 0 0 107 -110,-2.4 2,-0.8 -2,-0.5 -1,-0.2 0.915 79.2 65.3 -62.5 -46.2 21.2 21.3 11.8 112 881 A D > - 0 0 95 -111,-0.4 3,-1.8 1,-0.2 4,-0.2 -0.703 68.6-160.1 -83.8 110.4 24.9 20.6 11.1 113 882 A E G > S+ 0 0 46 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.782 89.8 62.9 -62.0 -27.8 26.8 23.8 12.0 114 883 A Q G 3 S+ 0 0 171 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.694 96.9 59.0 -70.2 -17.7 29.7 22.6 9.8 115 884 A A G < S+ 0 0 65 -3,-1.8 2,-0.6 2,-0.1 -1,-0.3 0.433 87.3 92.5 -90.4 -0.1 27.4 22.8 6.8 116 885 A I S < S- 0 0 4 -3,-1.4 2,-0.8 -4,-0.2 3,-0.1 -0.855 75.4-137.6 -96.8 118.7 26.8 26.5 7.4 117 886 A D > - 0 0 74 -2,-0.6 4,-2.2 1,-0.2 5,-0.1 -0.663 14.8-159.2 -73.9 110.5 29.1 28.9 5.6 118 887 A K H > S+ 0 0 68 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.809 87.4 53.1 -67.4 -31.2 29.8 31.4 8.3 119 888 A K H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.905 108.7 49.4 -70.0 -41.3 30.8 34.2 5.9 120 889 A H H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.923 112.2 50.1 -60.5 -43.3 27.6 33.8 3.9 121 890 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.942 113.2 44.1 -59.3 -49.8 25.7 34.0 7.1 122 891 A K H X S+ 0 0 57 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.891 114.1 51.3 -65.5 -38.5 27.5 37.1 8.3 123 892 A N H X S+ 0 0 5 -4,-2.8 4,-2.6 -52,-0.2 -2,-0.2 0.936 111.6 45.5 -64.1 -46.9 27.2 38.7 4.9 124 893 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -53,-0.2 -1,-0.2 0.866 113.5 50.9 -64.8 -35.7 23.5 38.1 4.7 125 894 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.937 111.6 46.4 -67.5 -45.7 23.0 39.4 8.2 126 895 A S H X S+ 0 0 20 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.921 112.3 52.1 -61.6 -41.9 25.0 42.6 7.5 127 896 A W H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.910 106.0 53.5 -60.3 -43.9 23.0 43.0 4.3 128 897 A L H X S+ 0 0 1 -4,-2.4 4,-0.5 1,-0.2 3,-0.4 0.934 110.6 47.0 -57.2 -45.9 19.7 42.7 6.2 129 898 A G H ><>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-0.7 0.865 107.5 58.6 -61.9 -36.0 20.8 45.4 8.5 130 899 A C H 3<5S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.834 111.7 38.8 -62.8 -35.6 21.9 47.5 5.6 131 900 A I H 3<5S+ 0 0 0 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.342 130.3 25.4-101.5 5.4 18.4 47.5 4.0 132 901 A T T X<>S+ 0 0 4 -3,-0.7 5,-2.3 -4,-0.5 3,-1.9 0.399 126.6 24.7-123.9 -88.5 16.5 47.9 7.3 133 902 A L G > 5S+ 0 0 0 1,-0.3 3,-2.0 3,-0.2 46,-0.3 0.829 120.0 55.8 -53.6 -42.0 18.0 49.4 10.4 134 903 A A G 3 > - 0 0 34 -2,-0.6 4,-2.4 1,-0.1 3,-1.9 -0.347 3.8-135.0 -69.6 136.6 9.6 43.4 12.7 141 910 A H T 34 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.824 106.6 63.3 -52.6 -35.7 9.3 41.4 15.9 142 911 A K T 34 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.660 111.0 38.5 -66.6 -16.5 6.9 39.0 14.0 143 912 A N T <4 S+ 0 0 24 -3,-1.9 -134,-2.4 1,-0.3 2,-0.4 0.826 133.5 10.6 -97.8 -48.2 9.9 38.1 11.7 144 913 A I B < -B 8 0B 2 -4,-2.4 2,-1.0 -136,-0.2 -1,-0.3 -0.953 57.1-166.8-136.4 115.9 12.8 38.0 14.1 145 914 A A > - 0 0 7 -138,-2.3 4,-2.6 -2,-0.4 5,-0.2 -0.849 16.0-170.5 -99.1 96.2 12.3 38.2 17.9 146 915 A F H > S+ 0 0 6 -2,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.883 76.7 45.2 -62.3 -49.0 15.9 38.9 18.8 147 916 A R H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.949 116.6 46.3 -62.2 -46.0 15.9 38.4 22.5 148 917 A E H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 110.6 53.9 -61.6 -40.1 13.9 35.2 22.3 149 918 A M H X S+ 0 0 17 -4,-2.6 4,-2.3 -142,-0.2 -1,-0.2 0.903 110.1 47.4 -60.2 -42.0 16.2 33.9 19.6 150 919 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.907 112.6 47.4 -68.0 -41.6 19.3 34.5 21.7 151 920 A I H X S+ 0 0 19 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.919 113.9 48.3 -66.9 -42.1 17.8 32.9 24.8 152 921 A E H X S+ 0 0 38 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.897 108.9 53.6 -63.1 -39.9 16.7 29.9 22.7 153 922 A A H X>S+ 0 0 4 -4,-2.3 5,-2.9 1,-0.2 6,-0.6 0.872 106.9 52.4 -64.8 -35.4 20.1 29.6 21.1 154 923 A Y H ><5S+ 0 0 87 -4,-2.0 3,-0.8 3,-0.2 -1,-0.2 0.941 112.1 45.5 -60.3 -46.9 21.6 29.5 24.6 155 924 A K H 3<5S+ 0 0 133 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.841 119.1 41.2 -66.5 -33.3 19.3 26.6 25.5 156 925 A E H 3<5S- 0 0 115 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.314 110.1-116.2-100.3 8.2 19.9 24.8 22.2 157 926 A N T <<5S+ 0 0 135 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.930 78.5 123.9 57.0 48.8 23.7 25.4 22.0 158 927 A R >>< + 0 0 21 -5,-2.9 4,-2.6 -8,-0.1 3,-1.5 0.122 24.5 114.4-121.7 18.5 23.4 27.4 18.8 159 928 A L H 3> + 0 0 14 -6,-0.6 4,-2.3 1,-0.3 -5,-0.1 0.806 69.4 64.4 -65.2 -27.2 25.1 30.6 19.9 160 929 A E H 34 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.750 114.4 33.8 -68.4 -19.5 27.9 30.2 17.5 161 930 A I H <> S+ 0 0 0 -3,-1.5 4,-1.1 2,-0.1 -2,-0.2 0.839 123.6 41.8 -94.1 -48.3 25.3 30.6 14.7 162 931 A V H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.866 106.1 60.0 -76.2 -37.0 22.9 33.0 16.2 163 932 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.951 107.1 43.6 -61.0 -50.3 25.3 35.5 17.9 164 933 A P H > S+ 0 0 9 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.862 112.1 56.0 -65.6 -29.9 27.1 36.6 14.7 165 934 A F H X S+ 0 0 0 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.956 112.8 41.6 -60.3 -48.4 23.8 36.8 12.9 166 935 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.934 115.5 48.4 -65.3 -46.0 22.6 39.2 15.6 167 936 A T H X S+ 0 0 2 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.875 110.7 50.3 -69.1 -33.8 25.8 41.2 15.9 168 937 A K H < S+ 0 0 52 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.871 114.8 44.3 -72.8 -35.5 26.1 41.7 12.1 169 938 A I H >< S+ 0 0 0 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.959 114.7 48.3 -64.2 -51.8 22.5 42.9 11.8 170 939 A L H >< S+ 0 0 1 -4,-2.9 3,-2.3 1,-0.3 4,-0.3 0.785 95.9 69.6 -69.5 -26.2 22.7 45.2 14.8 171 940 A Q G >< S+ 0 0 66 -4,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.843 88.9 68.2 -58.1 -28.2 25.9 46.9 13.9 172 941 A R G < S+ 0 0 71 -3,-1.4 3,-0.5 -4,-0.5 -1,-0.3 0.598 86.6 66.7 -71.2 -9.2 23.9 48.5 11.1 173 942 A A G X S+ 0 0 0 -3,-2.3 3,-1.0 1,-0.2 4,-0.4 0.624 75.1 95.2 -76.7 -12.1 22.0 50.5 13.7 174 943 A S T < S+ 0 0 42 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.1 0.702 99.4 20.4 -61.8 -25.4 25.2 52.4 14.5 175 944 A E T 3 S+ 0 0 86 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.331 95.9 114.6-116.3 2.2 24.6 55.4 12.2 176 945 A S < - 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0 0 36 -6,-0.3 -1,-0.1 -5,-0.2 5,-0.1 -0.278 38.5 -69.9 -95.5 175.3 31.2 30.5 25.0 203 972 A K >> - 0 0 40 1,-0.1 3,-1.4 -3,-0.1 4,-1.1 -0.261 43.7-114.9 -64.9 150.8 34.1 30.5 22.4 204 973 A L H 3> S+ 0 0 148 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.828 111.6 65.2 -54.9 -36.4 36.4 33.5 22.3 205 974 A S H 3> S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.799 97.9 54.7 -64.7 -25.6 35.3 34.5 18.9 206 975 A L H <> S+ 0 0 3 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.893 105.5 52.0 -73.3 -37.0 31.8 35.3 20.2 207 976 A T H X S+ 0 0 29 -4,-1.1 4,-2.7 -3,-0.2 -2,-0.2 0.929 109.3 52.1 -59.8 -43.7 33.3 37.6 22.8 208 977 A F H X S+ 0 0 111 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 107.3 50.8 -56.2 -47.4 35.1 39.3 19.9 209 978 A E H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.902 111.6 47.9 -62.1 -38.7 31.8 39.7 18.0 210 979 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.925 111.3 50.6 -66.6 -42.7 30.2 41.3 21.0 211 980 A E H X S+ 0 0 101 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.905 110.1 50.0 -59.5 -43.3 33.2 43.6 21.5 212 981 A V H X S+ 0 0 39 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.916 111.3 49.5 -62.0 -42.6 33.1 44.7 17.9 213 982 A L H X S+ 0 0 1 -4,-2.1 4,-0.7 -5,-0.2 3,-0.3 0.944 110.9 48.1 -62.8 -48.2 29.4 45.4 18.1 214 983 A L H ><>S+ 0 0 4 -4,-2.7 5,-2.4 1,-0.2 3,-1.5 0.928 109.0 54.5 -59.3 -44.3 29.7 47.5 21.3 215 984 A K H ><5S+ 0 0 148 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.852 97.9 63.2 -58.5 -35.4 32.6 49.5 19.8 216 985 A S H 3<5S+ 0 0 32 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.758 108.3 43.2 -61.3 -23.5 30.4 50.4 16.8 217 986 A F T <<5S- 0 0 25 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.252 118.3-111.6-101.3 9.0 28.2 52.2 19.2 218 987 A N T < 5S+ 0 0 151 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.884 80.6 124.9 56.6 39.1 31.1 53.8 21.1 219 988 A L < - 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