==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA REPAIR, HYDROLASE, LYASE 09-DEC-08 3FHG . COMPND 2 MOLECULE: N-GLYCOSYLASE/DNA LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR F.FAUCHER,S.DOUBLIE . 207 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 76.3 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 . 8 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 1 0 0 1 1 2 2 0 1 1 1 0 1 1 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 1 A M 0 0 139 0, 0.0 4,-0.2 0, 0.0 155,-0.0 0.000 360.0 360.0 360.0 -31.9 -54.3 -20.6 -9.1 2 2 A L > + 0 0 7 2,-0.1 4,-1.9 3,-0.1 5,-0.2 0.646 360.0 66.5-115.5 -38.6 -51.5 -18.0 -9.4 3 3 A R H > S+ 0 0 136 1,-0.2 4,-0.8 2,-0.2 0, 0.0 0.825 100.3 54.2 -53.4 -34.8 -50.8 -18.4 -13.1 4 4 A S H >> S+ 0 0 86 2,-0.2 3,-1.2 1,-0.2 4,-1.2 0.950 103.7 53.7 -65.7 -50.3 -54.3 -17.0 -13.8 5 5 A L H >4 S+ 0 0 21 1,-0.3 3,-0.7 2,-0.2 -2,-0.2 0.894 106.9 52.4 -50.0 -47.1 -53.7 -13.8 -11.7 6 6 A V H 3< S+ 0 0 7 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.712 109.5 49.3 -65.8 -22.0 -50.6 -13.0 -13.7 7 7 A Q H << S+ 0 0 137 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.612 78.5 118.7 -93.0 -13.2 -52.5 -13.3 -17.0 8 8 A N S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.825 94.1 54.3 -56.8 -36.4 -55.3 -8.1 -18.4 10 10 A K H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.935 114.3 40.2 -65.1 -45.8 -56.8 -5.7 -15.8 11 11 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 114.0 52.6 -69.2 -47.2 -54.1 -6.5 -13.3 12 12 A R H X S+ 0 0 102 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.902 106.4 54.3 -55.4 -45.0 -51.2 -6.7 -15.8 13 13 A A H X S+ 0 0 49 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.950 111.9 42.9 -54.8 -54.0 -52.1 -3.2 -17.2 14 14 A R H X S+ 0 0 121 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.894 112.4 54.2 -60.7 -42.3 -51.9 -1.6 -13.8 15 15 A V H X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.894 104.1 53.7 -60.9 -42.2 -48.7 -3.5 -12.9 16 16 A L H X S+ 0 0 92 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.873 105.0 56.3 -60.5 -36.5 -46.9 -2.3 -16.0 17 17 A E H X S+ 0 0 135 -4,-1.4 4,-2.5 -5,-0.2 -1,-0.2 0.939 108.8 45.9 -60.1 -46.4 -47.8 1.2 -15.0 18 18 A R H X S+ 0 0 51 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.916 109.8 54.2 -62.2 -44.9 -46.1 0.7 -11.6 19 19 A V H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.939 110.1 47.2 -55.4 -46.8 -43.1 -0.9 -13.3 20 20 A D H X S+ 0 0 109 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.930 110.4 53.4 -59.3 -45.1 -42.7 2.2 -15.4 21 21 A E H X S+ 0 0 48 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.915 110.0 47.3 -56.0 -46.1 -43.1 4.4 -12.3 22 22 A F H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.889 111.8 49.3 -65.0 -40.4 -40.3 2.5 -10.6 23 23 A R H X S+ 0 0 147 -4,-2.4 4,-1.0 -5,-0.2 -2,-0.2 0.911 111.2 50.0 -66.1 -39.5 -38.0 2.7 -13.6 24 24 A L H >< S+ 0 0 108 -4,-2.8 3,-0.9 1,-0.2 4,-0.3 0.912 106.1 57.4 -63.7 -39.9 -38.7 6.4 -13.9 25 25 A N H >< S+ 0 0 6 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.906 99.6 57.9 -57.2 -41.7 -37.9 6.7 -10.2 26 26 A N H 3< S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.825 110.6 44.1 -57.9 -30.2 -34.5 5.2 -10.8 27 27 A L T << S+ 0 0 126 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.348 100.5 97.2 -95.8 3.7 -33.9 8.1 -13.2 28 28 A S S < S- 0 0 26 -3,-1.9 5,-0.1 -4,-0.3 -3,-0.0 -0.437 76.4 -89.5 -93.3 168.4 -35.3 10.8 -10.9 29 29 A N >> - 0 0 82 -2,-0.1 4,-1.9 1,-0.1 3,-1.1 -0.085 41.9 -90.4 -74.7 171.6 -33.6 13.2 -8.5 30 30 A E H 3> S+ 0 0 25 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.789 123.3 59.9 -48.0 -38.6 -32.7 13.0 -4.8 31 31 A E H 3> S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.905 106.3 46.9 -61.9 -40.7 -36.0 14.4 -3.8 32 32 A V H <> S+ 0 0 28 -3,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.910 111.9 50.4 -68.8 -40.8 -37.8 11.5 -5.4 33 33 A W H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.923 112.1 46.4 -63.7 -42.9 -35.4 8.9 -3.8 34 34 A F H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.846 108.8 56.5 -68.4 -31.4 -35.9 10.4 -0.4 35 35 A R H X S+ 0 0 75 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.925 108.8 46.4 -63.2 -43.5 -39.7 10.5 -0.9 36 36 A E H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.894 110.7 52.7 -65.9 -38.3 -39.6 6.7 -1.6 37 37 A L H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.925 108.7 50.8 -62.0 -42.6 -37.4 6.1 1.4 38 38 A T H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.870 106.9 53.6 -62.7 -38.8 -40.0 8.0 3.5 39 39 A L H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.918 108.1 51.1 -61.5 -42.9 -42.8 5.9 2.1 40 40 A C H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.874 107.3 52.0 -65.1 -36.9 -40.9 2.8 3.2 41 41 A L H >< S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.904 112.1 47.7 -64.5 -39.1 -40.4 4.1 6.7 42 42 A L H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.702 103.4 61.3 -74.3 -22.1 -44.2 4.8 7.0 43 43 A T H >< S+ 0 0 23 -4,-1.4 3,-2.8 -5,-0.1 -1,-0.2 0.709 73.9 115.6 -78.2 -20.1 -45.1 1.4 5.6 44 44 A A T << S- 0 0 11 -4,-0.8 3,-0.1 -3,-0.5 -3,-0.0 -0.280 98.5 -9.3 -53.1 126.2 -43.5 -0.4 8.5 45 45 A N T 3 S+ 0 0 140 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.676 124.9 94.2 55.6 20.7 -46.2 -2.2 10.5 46 46 A S S < S- 0 0 31 -3,-2.8 -1,-0.2 35,-0.0 2,-0.1 -0.847 77.5-107.3-133.8 169.6 -48.8 -0.4 8.4 47 47 A S > - 0 0 66 -2,-0.3 4,-1.8 -3,-0.1 5,-0.2 -0.414 36.3-108.1 -89.5 171.8 -50.8 -1.0 5.2 48 48 A F H > S+ 0 0 41 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.929 116.8 55.5 -67.7 -43.9 -50.1 0.8 2.0 49 49 A I H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 109.2 46.5 -55.5 -44.2 -53.2 3.0 2.2 50 50 A S H > S+ 0 0 47 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 115.4 46.4 -64.3 -47.3 -52.2 4.3 5.6 51 51 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.906 114.2 46.8 -62.0 -45.5 -48.6 5.0 4.6 52 52 A Y H X S+ 0 0 100 -4,-3.3 4,-2.9 2,-0.2 -1,-0.2 0.897 111.0 51.6 -66.5 -39.3 -49.6 6.7 1.3 53 53 A Q H X S+ 0 0 98 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.921 111.4 48.7 -61.5 -41.8 -52.2 8.8 3.0 54 54 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.907 111.9 48.3 -62.0 -44.4 -49.5 9.9 5.5 55 55 A L H X S+ 0 0 13 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.935 112.8 48.1 -61.6 -46.9 -47.1 10.6 2.7 56 56 A N H < S+ 0 0 110 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.892 110.7 51.6 -61.3 -42.6 -49.7 12.6 0.8 57 57 A a H < S+ 0 0 61 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.892 113.9 43.8 -61.5 -42.6 -50.6 14.6 4.0 58 58 A L H >< S+ 0 0 4 -4,-2.3 3,-1.9 -5,-0.2 -2,-0.2 0.902 84.2 159.1 -70.7 -42.0 -46.9 15.4 4.6 59 59 A G G >< S- 0 0 29 -4,-3.0 3,-1.4 1,-0.3 4,-0.2 -0.253 71.2 -7.5 55.4-136.3 -46.3 16.3 1.0 60 60 A Q G > S+ 0 0 129 1,-0.3 3,-1.6 2,-0.1 4,-0.5 0.611 118.5 83.7 -69.0 -11.3 -43.3 18.6 0.5 61 61 A K G X> S+ 0 0 93 -3,-1.9 4,-2.2 1,-0.3 3,-0.6 0.704 71.0 76.5 -67.9 -15.7 -42.8 19.0 4.3 62 62 A I G <4 S+ 0 0 2 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.804 94.4 54.3 -63.1 -23.4 -40.9 15.8 4.5 63 63 A Y G <4 S+ 0 0 39 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.769 129.9 2.6 -81.7 -25.5 -38.0 17.8 3.0 64 64 A Y T <4 S+ 0 0 150 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.634 92.1 109.0-136.3 -22.1 -37.9 20.6 5.5 65 65 A A < - 0 0 0 -4,-2.2 2,-0.1 -5,-0.1 0, 0.0 -0.175 64.6-116.5 -61.5 154.9 -40.3 20.4 8.5 66 66 A N > - 0 0 69 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.374 32.7 -95.2 -86.2 170.6 -39.0 19.7 12.0 67 67 A E H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 122.7 50.9 -52.1 -48.8 -39.9 16.6 14.0 68 68 A E H > S+ 0 0 115 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 111.8 47.6 -57.9 -43.1 -42.7 18.2 16.0 69 69 A E H > S+ 0 0 92 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.862 112.7 47.7 -68.6 -38.1 -44.4 19.5 12.8 70 70 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.901 111.5 51.5 -70.4 -39.4 -44.1 16.2 11.0 71 71 A R H X S+ 0 0 61 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.931 109.6 49.9 -62.7 -43.4 -45.5 14.4 14.1 72 72 A N H X S+ 0 0 83 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.867 111.0 48.8 -64.6 -36.6 -48.5 16.8 14.2 73 73 A I H X S+ 0 0 29 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.929 112.5 47.2 -68.8 -44.3 -49.3 16.3 10.5 74 74 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 -2,-0.2 0.898 111.6 51.9 -63.1 -39.7 -49.1 12.5 10.8 75 75 A K H ><5S+ 0 0 117 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.921 111.3 46.1 -62.7 -43.2 -51.3 12.7 13.9 76 76 A S H 3<5S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.708 106.8 59.7 -72.4 -20.2 -53.9 14.8 12.1 77 77 A a T 3<5S- 0 0 18 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.390 116.6-114.3 -86.9 0.3 -53.8 12.4 9.1 78 78 A K T < 5 + 0 0 172 -3,-1.2 2,-0.7 1,-0.3 -3,-0.2 0.667 63.0 153.0 73.3 19.1 -54.8 9.6 11.4 79 79 A Y > < - 0 0 8 -5,-2.3 3,-1.0 -6,-0.2 -1,-0.3 -0.732 35.6-152.7 -82.1 115.9 -51.5 7.7 11.0 80 80 A R T 3 S+ 0 0 182 -2,-0.7 3,-0.3 1,-0.3 -1,-0.1 0.729 86.8 54.5 -63.0 -28.9 -51.2 5.7 14.2 81 81 A F T 3> + 0 0 67 1,-0.2 4,-1.9 -39,-0.1 5,-0.3 -0.096 68.1 131.3-100.3 38.9 -47.4 5.5 14.4 82 82 A Y H <> + 0 0 56 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.801 63.6 56.0 -59.8 -35.4 -46.9 9.3 14.2 83 83 A N H > S+ 0 0 89 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.964 115.5 30.9 -65.7 -56.4 -44.5 9.5 17.1 84 84 A L H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 118.4 55.3 -71.9 -38.4 -41.7 7.2 16.1 85 85 A K H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.881 103.2 55.0 -63.4 -39.1 -42.1 7.7 12.4 86 86 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.947 110.7 47.0 -57.5 -46.7 -41.7 11.4 12.7 87 87 A K H X S+ 0 0 87 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.888 112.1 49.5 -61.8 -41.8 -38.3 10.8 14.5 88 88 A Y H X S+ 0 0 61 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.858 108.8 52.2 -66.5 -38.1 -37.2 8.2 11.9 89 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.921 112.1 46.1 -64.8 -43.8 -38.0 10.6 9.0 90 90 A I H X S+ 0 0 25 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.902 113.6 48.1 -65.6 -43.5 -36.0 13.4 10.6 91 91 A M H X S+ 0 0 65 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.850 111.9 49.4 -67.1 -34.4 -33.0 11.1 11.4 92 92 A A H X>S+ 0 0 1 -4,-2.2 4,-3.5 2,-0.2 5,-0.7 0.936 111.3 50.2 -68.6 -44.0 -33.1 9.6 7.8 93 93 A R H X5S+ 0 0 34 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.945 111.8 47.4 -57.9 -50.0 -33.1 13.1 6.4 94 94 A E H <5S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 119.3 40.9 -59.4 -38.6 -30.2 14.2 8.6 95 95 A K H <5S+ 0 0 100 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.877 134.6 5.2 -81.5 -39.6 -28.3 11.1 7.6 96 96 A V H >X5S+ 0 0 9 -4,-3.5 3,-2.2 -5,-0.1 4,-0.6 0.567 81.3 123.9-126.8 -9.6 -28.9 10.6 3.9 97 97 A Y T 3< S+ 0 0 85 -3,-2.2 4,-1.7 -69,-0.1 5,-0.2 0.135 76.5 103.1-145.7 19.9 -26.7 11.9 -1.1 100 100 A L H X S+ 0 0 3 -4,-0.6 4,-2.5 2,-0.2 5,-0.3 0.983 93.6 32.9 -68.9 -59.3 -29.0 8.9 -1.0 101 101 A K H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.929 113.7 64.8 -62.9 -42.6 -29.1 8.3 -4.7 102 102 A E H 4 S+ 0 0 140 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.872 115.7 26.0 -46.7 -48.2 -25.5 9.5 -5.0 103 103 A E H X S+ 0 0 82 -4,-1.7 4,-0.7 -3,-0.2 -1,-0.2 0.835 124.8 46.3 -89.3 -34.6 -24.2 6.6 -2.9 104 104 A I H X S+ 0 0 7 -4,-2.5 4,-3.4 -5,-0.2 5,-0.3 0.890 101.0 60.2 -79.6 -41.2 -26.9 3.9 -3.4 105 105 A K H X S+ 0 0 43 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.946 106.0 46.1 -55.5 -53.9 -27.5 3.9 -7.2 106 106 A P H > S+ 0 0 68 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.897 117.4 46.1 -58.2 -35.1 -23.9 3.0 -8.3 107 107 A L H X S+ 0 0 22 -4,-0.7 4,-3.5 2,-0.2 3,-0.5 0.932 114.7 45.6 -70.6 -46.3 -23.8 0.3 -5.6 108 108 A A H < S+ 0 0 3 -4,-3.4 -1,-0.2 1,-0.2 4,-0.2 0.821 106.0 61.0 -66.8 -32.2 -27.2 -1.1 -6.5 109 109 A D H < S+ 0 0 91 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.831 117.4 31.4 -63.8 -31.0 -26.4 -1.0 -10.2 110 110 A E H < S+ 0 0 151 -4,-0.9 2,-0.3 -3,-0.5 -2,-0.2 0.846 138.6 7.9 -93.6 -42.6 -23.5 -3.4 -9.5 111 111 A D X - 0 0 61 -4,-3.5 4,-2.0 -5,-0.1 -1,-0.2 -0.829 50.5-173.0-149.2 105.8 -25.0 -5.4 -6.6 112 112 A Q H > S+ 0 0 37 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.828 91.5 57.2 -64.4 -33.2 -28.5 -5.2 -5.3 113 113 A Q H > S+ 0 0 62 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.891 109.9 44.1 -65.9 -40.3 -27.7 -7.5 -2.4 114 114 A L H > S+ 0 0 83 2,-0.2 4,-2.1 -7,-0.2 -2,-0.2 0.855 109.5 55.3 -73.5 -36.6 -25.0 -5.1 -1.2 115 115 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -8,-0.3 -2,-0.2 0.925 106.5 52.0 -62.5 -42.5 -27.1 -2.0 -1.7 116 116 A R H X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.924 108.1 52.6 -59.2 -41.3 -29.7 -3.5 0.5 117 117 A E H >< S+ 0 0 85 -4,-1.4 3,-0.7 1,-0.2 -1,-0.2 0.887 105.8 53.1 -61.8 -40.3 -27.0 -4.1 3.1 118 118 A R H >< S+ 0 0 112 -4,-2.1 3,-1.5 1,-0.2 -1,-0.2 0.901 103.6 57.0 -63.1 -40.2 -25.9 -0.5 3.0 119 119 A L H >< S+ 0 0 4 -4,-1.9 3,-2.3 1,-0.3 -1,-0.2 0.714 86.2 78.7 -63.7 -23.3 -29.4 0.8 3.7 120 120 A L T << S+ 0 0 43 -4,-0.8 -1,-0.3 -3,-0.7 5,-0.2 0.652 77.7 74.2 -62.5 -13.3 -29.7 -1.2 6.9 121 121 A N T < S+ 0 0 97 -3,-1.5 2,-0.5 -4,-0.2 -1,-0.3 0.682 77.3 93.6 -72.5 -17.4 -27.6 1.6 8.5 122 122 A I S X S- 0 0 7 -3,-2.3 3,-2.2 -4,-0.1 2,-0.1 -0.660 87.1-116.3 -81.5 125.0 -30.7 3.8 8.4 123 123 A K T 3 S+ 0 0 123 -2,-0.5 -31,-0.1 1,-0.3 3,-0.1 -0.387 102.3 23.8 -61.6 127.9 -32.7 3.7 11.6 124 124 A G T 3 S+ 0 0 24 1,-0.2 2,-0.6 -2,-0.1 -1,-0.3 0.303 99.7 110.1 97.9 -8.4 -36.2 2.3 11.0 125 125 A I < + 0 0 10 -3,-2.2 -1,-0.2 -5,-0.2 2,-0.2 -0.893 38.2 161.6-107.8 113.3 -34.9 0.4 7.9 126 126 A G > - 0 0 26 -2,-0.6 4,-2.5 -3,-0.1 5,-0.2 -0.399 59.6 -73.6-110.7-168.9 -34.7 -3.4 8.1 127 127 A M H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.855 131.5 48.3 -57.0 -39.4 -34.5 -6.0 5.4 128 128 A Q H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 114.2 43.7 -68.2 -49.0 -38.1 -5.6 4.4 129 129 A E H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.856 114.5 50.8 -64.8 -36.6 -38.0 -1.8 4.2 130 130 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.883 111.9 46.0 -69.4 -39.7 -34.7 -1.8 2.3 131 131 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.899 112.9 51.6 -67.8 -41.4 -36.0 -4.3 -0.3 132 132 A H H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.950 110.6 48.2 -59.7 -50.1 -39.2 -2.3 -0.6 133 133 A F H X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.943 112.1 46.7 -57.8 -52.5 -37.2 0.9 -1.2 134 134 A L H <>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 3,-0.4 0.835 110.7 53.9 -61.9 -32.0 -34.8 -0.5 -3.8 135 135 A R H ><5S+ 0 0 2 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.951 106.5 52.9 -65.3 -46.8 -37.8 -2.1 -5.6 136 136 A N H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.634 109.5 48.7 -64.7 -16.3 -39.5 1.3 -5.7 137 137 A V T 3<5S- 0 0 0 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.022 133.4 -77.8-112.7 27.1 -36.4 3.0 -7.3 138 138 A G T < 5S+ 0 0 19 -3,-1.6 2,-0.8 1,-0.1 -3,-0.2 0.480 91.7 118.2 100.4 2.7 -35.9 0.4 -10.0 139 139 A Y < + 0 0 11 -5,-3.1 3,-0.3 -6,-0.2 -1,-0.1 -0.866 29.2 172.5-109.5 103.9 -34.2 -2.7 -8.5 140 140 A F + 0 0 15 -2,-0.8 51,-2.7 1,-0.2 52,-0.4 0.254 55.6 84.1 -94.8 10.9 -36.5 -5.7 -8.9 141 141 A D S S+ 0 0 77 49,-0.2 2,-0.4 48,-0.1 -1,-0.2 0.018 73.3 85.3-104.0 30.0 -34.3 -8.7 -7.8 142 142 A L S S- 0 0 0 -3,-0.3 2,-0.1 -11,-0.1 -7,-0.1 -0.978 72.0-137.5-131.1 116.9 -35.1 -8.2 -4.0 143 143 A A - 0 0 0 -2,-0.4 2,-0.7 29,-0.1 48,-0.1 -0.402 10.5-134.3 -73.3 150.3 -38.2 -9.8 -2.5 144 144 A I + 0 0 11 46,-0.3 2,-0.3 -13,-0.1 -16,-0.1 -0.919 38.1 179.4-106.2 108.5 -40.2 -7.8 0.0 145 145 A I + 0 0 1 -2,-0.7 2,-0.3 -18,-0.1 -14,-0.1 -0.869 19.9 143.5-121.2 149.2 -40.9 -10.3 2.9 146 146 A D >> - 0 0 40 -2,-0.3 4,-2.2 -18,-0.1 3,-0.9 -0.934 65.2 -82.7-164.5 165.0 -42.6 -10.3 6.3 147 147 A R H 3> S+ 0 0 134 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.839 128.1 56.7 -46.9 -37.2 -44.7 -13.0 8.2 148 148 A H H 3> S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.924 108.1 46.6 -61.2 -44.4 -47.8 -12.0 6.2 149 149 A I H <> S+ 0 0 3 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.885 110.9 52.4 -63.4 -40.2 -46.0 -12.7 2.9 150 150 A I H X S+ 0 0 10 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.938 107.6 51.5 -62.4 -44.9 -44.7 -16.0 4.3 151 151 A D H X S+ 0 0 65 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.863 106.7 54.8 -60.3 -35.6 -48.2 -17.0 5.3 152 152 A F H X S+ 0 0 3 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.909 105.9 51.6 -63.7 -40.6 -49.3 -16.2 1.7 153 153 A M H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 6,-1.1 0.885 110.3 49.3 -62.9 -39.4 -46.6 -18.6 0.4 154 154 A R H ><5S+ 0 0 93 -4,-2.0 3,-2.1 4,-0.2 -2,-0.2 0.962 109.0 53.0 -62.8 -51.6 -48.0 -21.3 2.7 155 155 A R H 3<5S+ 0 0 98 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.791 109.0 47.8 -55.5 -33.6 -51.5 -20.6 1.6 156 156 A I T 3<5S- 0 0 35 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.371 118.1-111.4 -91.3 7.6 -50.6 -21.0 -2.1 157 157 A G T < 5S+ 0 0 63 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.641 82.2 127.5 74.7 14.4 -48.8 -24.2 -1.3 158 158 A A S - 0 0 45 -2,-1.7 4,-3.1 1,-0.1 5,-0.2 -0.231 38.2-103.6 -77.0 168.3 -33.1 -13.6 10.1 169 169 A K H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 124.8 44.3 -56.7 -47.4 -31.2 -12.1 7.2 170 170 A S H > S+ 0 0 81 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.928 112.9 49.5 -64.6 -46.3 -30.5 -15.6 5.9 171 171 A L H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.899 111.2 52.0 -59.3 -39.0 -34.1 -16.8 6.5 172 172 A Y H X S+ 0 0 5 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.940 111.0 45.5 -62.6 -47.2 -35.2 -13.7 4.7 173 173 A I H X S+ 0 0 50 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.850 108.6 60.6 -65.1 -31.3 -32.9 -14.6 1.7 174 174 A S H X S+ 0 0 54 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.981 109.1 38.9 -58.1 -60.6 -34.2 -18.1 2.0 175 175 A F H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.833 111.2 62.7 -60.0 -32.2 -37.8 -17.1 1.3 176 176 A E H X S+ 0 0 1 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.955 102.1 48.4 -58.9 -51.0 -36.6 -14.6 -1.3 177 177 A N H X S+ 0 0 84 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.872 110.1 52.2 -59.2 -37.2 -35.1 -17.3 -3.5 178 178 A I H X S+ 0 0 59 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.949 110.8 47.3 -64.1 -46.9 -38.3 -19.4 -3.3 179 179 A L H X S+ 0 0 7 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.875 108.4 56.6 -61.3 -37.6 -40.3 -16.3 -4.4 180 180 A K H X S+ 0 0 68 -4,-2.7 4,-3.5 2,-0.2 -1,-0.2 0.912 104.6 51.2 -60.6 -43.1 -37.8 -15.7 -7.2 181 181 A S H X S+ 0 0 81 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.947 113.5 45.6 -57.4 -49.7 -38.3 -19.2 -8.6 182 182 A I H X S+ 0 0 39 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.951 113.6 48.2 -57.0 -54.4 -42.1 -18.5 -8.6 183 183 A A H <>S+ 0 0 0 -4,-3.3 5,-1.9 1,-0.2 -2,-0.2 0.916 110.0 54.1 -53.8 -46.8 -41.6 -15.1 -10.1 184 184 A S H ><5S+ 0 0 82 -4,-3.5 3,-2.3 1,-0.2 -1,-0.2 0.942 107.8 47.7 -55.0 -52.4 -39.3 -16.6 -12.7 185 185 A N H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.848 108.2 56.8 -58.3 -34.0 -41.9 -19.2 -13.8 186 186 A L T 3<5S- 0 0 19 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.340 122.3-111.5 -79.8 7.4 -44.5 -16.4 -13.9 187 187 A N T < 5S+ 0 0 148 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.891 82.1 85.7 64.8 44.9 -42.1 -14.7 -16.4 188 188 A M S > - 0 0 44 -2,-0.3 4,-2.0 -3,-0.1 3,-1.0 -0.597 37.1-119.0 -89.9 154.0 -38.9 -10.5 -11.4 190 190 A V H 3> S+ 0 0 5 1,-0.3 4,-1.5 2,-0.2 -46,-0.3 0.814 113.0 60.4 -62.3 -33.0 -39.6 -11.1 -7.7 191 191 A G H 34 S+ 0 0 0 -51,-2.7 4,-0.3 1,-0.2 -1,-0.3 0.778 111.1 41.8 -66.2 -24.9 -39.9 -7.3 -7.0 192 192 A I H X> S+ 0 0 14 -3,-1.0 3,-1.2 -52,-0.4 4,-1.0 0.780 104.0 62.8 -90.5 -34.5 -42.8 -7.3 -9.5 193 193 A L H >X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.3 3,-0.5 0.884 92.2 70.0 -57.5 -35.5 -44.4 -10.5 -8.3 194 194 A D H 3X S+ 0 0 8 -4,-1.5 4,-2.3 1,-0.3 -1,-0.3 0.863 95.0 53.3 -47.9 -40.0 -44.9 -8.7 -5.0 195 195 A L H <> S+ 0 0 0 -3,-1.2 4,-1.4 -4,-0.3 -1,-0.3 0.881 107.7 48.3 -67.3 -39.0 -47.5 -6.5 -6.7 196 196 A F H