==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-JUN-06 2HH6 . COMPND 2 MOLECULE: BH3980 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 78.6 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 . 2 1.8 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 1 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 1 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 . 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 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 X > 0 0 167 0, 0.0 4,-3.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.1 26.7 5.7 22.6 2 2 A S H > + 0 0 82 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.834 360.0 61.5 -62.0 -33.7 26.6 9.4 21.8 3 3 A F H > S+ 0 0 144 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.942 114.0 34.5 -55.0 -49.3 30.2 9.1 20.4 4 4 A I H > S+ 0 0 70 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.899 115.9 54.9 -72.2 -44.3 28.9 6.7 17.7 5 5 A E H X S+ 0 0 129 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.889 108.7 49.6 -59.5 -39.5 25.5 8.3 17.3 6 6 A K H X S+ 0 0 108 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.888 110.0 50.8 -64.9 -40.2 27.2 11.6 16.5 7 7 A X H X S+ 0 0 102 -4,-1.3 4,-2.0 -5,-0.3 -2,-0.2 0.901 112.3 46.3 -64.7 -40.6 29.5 10.0 14.0 8 8 A I H X S+ 0 0 82 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.863 109.3 54.5 -68.5 -40.5 26.5 8.3 12.3 9 9 A G H X S+ 0 0 25 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.912 109.1 49.4 -58.8 -41.8 24.5 11.6 12.3 10 10 A S H X S+ 0 0 48 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.909 108.8 51.3 -64.2 -44.1 27.5 13.2 10.5 11 11 A L H X S+ 0 0 118 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.951 113.5 46.1 -54.1 -48.5 27.6 10.4 7.9 12 12 A N H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.877 112.6 49.3 -63.3 -41.7 23.9 10.9 7.3 13 13 A D H X S+ 0 0 58 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.919 111.6 48.4 -64.7 -43.5 24.2 14.7 7.1 14 14 A K H X S+ 0 0 112 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.817 109.7 53.2 -69.1 -30.2 27.1 14.5 4.7 15 15 A R H X S+ 0 0 145 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.907 109.8 47.3 -69.2 -42.9 25.2 12.1 2.5 16 16 A E H X S+ 0 0 53 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.910 111.6 52.0 -63.5 -42.4 22.2 14.4 2.4 17 17 A W H X S+ 0 0 129 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.917 108.0 51.6 -55.1 -51.2 24.6 17.3 1.5 18 18 A K H X S+ 0 0 149 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.910 110.0 48.7 -53.8 -46.2 26.1 15.2 -1.3 19 19 A A H X S+ 0 0 55 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.867 111.4 49.7 -63.7 -39.0 22.7 14.6 -2.7 20 20 A X H X S+ 0 0 20 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.888 107.7 53.6 -68.9 -39.2 21.8 18.3 -2.5 21 21 A E H X S+ 0 0 47 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.863 108.8 50.5 -59.1 -36.6 25.1 19.2 -4.2 22 22 A A H X S+ 0 0 59 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.881 105.6 55.0 -71.1 -40.9 24.1 16.8 -7.0 23 23 A R H X S+ 0 0 72 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.897 111.2 45.7 -55.8 -42.1 20.6 18.3 -7.4 24 24 A A H >< S+ 0 0 0 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.862 110.0 53.2 -70.0 -38.2 22.3 21.7 -7.9 25 25 A K H 3< S+ 0 0 148 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.806 102.0 60.1 -67.3 -30.5 24.8 20.3 -10.4 26 26 A A H 3< S+ 0 0 88 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.724 91.5 89.5 -68.9 -21.0 22.0 18.8 -12.4 27 27 A L S << S- 0 0 18 -3,-0.7 39,-0.1 -4,-0.5 5,-0.0 -0.196 95.8 -82.5 -70.5 163.2 20.6 22.3 -12.9 28 28 A P >> - 0 0 61 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.277 50.1 -98.3 -61.3 162.1 21.6 24.6 -15.8 29 29 A K H 3> S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.839 122.1 50.8 -48.3 -46.5 24.9 26.5 -15.4 30 30 A E H 3> S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 112.9 45.8 -67.5 -37.5 23.3 29.8 -14.4 31 31 A Y H <> S+ 0 0 11 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.889 113.2 49.0 -70.7 -45.0 21.2 28.1 -11.7 32 32 A H H X S+ 0 0 50 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.899 113.2 48.4 -60.4 -42.2 24.1 26.0 -10.4 33 33 A H H X S+ 0 0 135 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.942 111.0 50.2 -64.1 -45.9 26.2 29.2 -10.3 34 34 A A H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.893 109.4 51.5 -59.9 -39.3 23.4 31.1 -8.5 35 35 A Y H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.925 110.9 47.3 -64.2 -46.0 23.1 28.2 -5.9 36 36 A K H X S+ 0 0 37 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.875 111.1 52.3 -62.8 -37.7 26.8 28.4 -5.2 37 37 A A H X S+ 0 0 47 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.909 110.4 47.5 -64.9 -42.2 26.6 32.2 -4.9 38 38 A I H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.851 108.1 56.2 -66.3 -37.1 23.8 31.9 -2.4 39 39 A Q H X S+ 0 0 19 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.954 107.4 48.3 -58.3 -49.8 25.8 29.2 -0.4 40 40 A K H < S+ 0 0 131 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.925 112.7 49.2 -56.9 -44.2 28.7 31.7 -0.1 41 41 A Y H < S+ 0 0 92 -4,-1.9 3,-0.5 1,-0.2 5,-0.4 0.917 113.3 46.0 -61.9 -45.4 26.2 34.3 1.1 42 42 A X H < S+ 0 0 2 -4,-2.8 2,-0.3 1,-0.2 5,-0.3 0.719 95.4 75.1 -69.9 -24.3 24.6 32.0 3.6 43 43 A W S < S+ 0 0 134 -4,-2.0 -1,-0.2 -3,-0.2 2,-0.2 -0.012 91.1 75.5 -81.5 34.9 28.0 30.7 4.9 44 44 A T S > S- 0 0 70 -3,-0.5 3,-1.5 -2,-0.3 53,-0.3 -0.544 111.8 -76.7-124.0-164.3 28.2 34.0 6.7 45 45 A S T 3 S+ 0 0 39 1,-0.3 53,-2.4 -2,-0.2 52,-0.4 0.670 125.2 65.7 -79.4 -13.6 26.5 35.3 9.8 46 46 A G T 3 S+ 0 0 30 -5,-0.4 -1,-0.3 51,-0.2 -4,-0.1 0.436 92.9 91.7 -80.1 2.3 23.3 35.9 7.9 47 47 A G S < S- 0 0 0 -3,-1.5 50,-1.5 -5,-0.3 51,-0.2 -0.358 85.9 -77.4-100.1 171.9 23.0 32.1 7.4 48 48 A P B -A 96 0A 6 0, 0.0 48,-0.2 0, 0.0 -1,-0.2 -0.187 30.0-146.1 -68.8 160.7 21.4 29.2 9.2 49 49 A T + 0 0 24 46,-0.6 2,-0.3 47,-0.1 47,-0.1 0.484 69.5 34.2-115.1 -6.3 23.0 27.7 12.3 50 50 A D S > S- 0 0 68 45,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.916 80.0-106.6-144.7 170.4 22.3 24.0 12.2 51 51 A W H > S+ 0 0 55 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.883 113.5 58.9 -66.6 -40.4 21.9 21.2 9.7 52 52 A Q H > S+ 0 0 143 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 112.5 39.5 -54.5 -45.4 18.1 20.9 10.1 53 53 A D H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 114.0 53.2 -77.7 -38.5 17.6 24.5 9.0 54 54 A T H X S+ 0 0 19 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.924 110.4 49.1 -56.3 -47.6 20.3 24.4 6.3 55 55 A K H X S+ 0 0 83 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.916 113.2 46.6 -58.2 -46.6 18.6 21.3 4.9 56 56 A R H X S+ 0 0 139 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.915 116.2 44.0 -63.2 -43.8 15.2 23.1 4.9 57 57 A I H X S+ 0 0 7 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.941 119.3 38.8 -71.1 -51.0 16.5 26.3 3.4 58 58 A F H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -3,-0.2 0.866 113.4 55.7 -73.2 -35.7 18.6 24.9 0.6 59 59 A G H X S+ 0 0 12 -4,-2.0 4,-2.3 -5,-0.4 -1,-0.2 0.885 109.2 48.9 -59.0 -40.7 16.2 22.1 -0.1 60 60 A G H X S+ 0 0 29 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.904 109.3 51.1 -64.1 -43.0 13.6 24.8 -0.7 61 61 A I H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.935 110.9 50.0 -58.2 -42.0 15.9 26.8 -2.9 62 62 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.922 108.1 51.7 -65.0 -43.5 16.4 23.6 -4.9 63 63 A D H X S+ 0 0 98 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.928 113.9 44.6 -56.6 -47.6 12.7 22.9 -5.2 64 64 A L H X S+ 0 0 63 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.928 113.8 49.5 -61.7 -46.9 12.2 26.4 -6.5 65 65 A F H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.869 108.4 53.2 -64.0 -37.4 15.2 26.2 -8.9 66 66 A E H X S+ 0 0 73 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.904 110.6 46.9 -67.3 -40.2 14.0 22.9 -10.3 67 67 A E H X S+ 0 0 105 -4,-1.8 4,-1.1 -5,-0.2 -2,-0.2 0.952 115.6 45.6 -64.4 -46.7 10.6 24.2 -11.2 68 68 A G H <>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 3,-0.4 0.900 111.7 50.0 -64.5 -44.5 12.1 27.4 -12.7 69 69 A A H ><5S+ 0 0 26 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.837 107.1 56.5 -61.1 -35.3 14.8 25.5 -14.7 70 70 A A H 3<5S+ 0 0 80 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 109.1 46.2 -67.9 -28.1 12.1 23.2 -16.0 71 71 A E T 3<5S- 0 0 113 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.354 114.2-116.9 -93.8 5.6 10.2 26.2 -17.4 72 72 A G T < 5 + 0 0 68 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.719 62.8 154.9 66.3 21.0 13.3 27.8 -18.9 73 73 A K < - 0 0 96 -5,-2.5 2,-0.2 -6,-0.2 -1,-0.2 -0.403 47.1-110.4 -74.8 154.1 12.9 30.7 -16.5 74 74 A K >> - 0 0 136 1,-0.1 3,-1.0 -3,-0.1 4,-0.8 -0.581 25.1-118.1 -75.9 151.2 15.8 32.8 -15.5 75 75 A V H >> S+ 0 0 16 1,-0.3 4,-2.1 -2,-0.2 3,-1.3 0.910 116.2 52.4 -52.8 -46.5 17.0 32.6 -11.9 76 76 A T H 3> S+ 0 0 46 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.629 96.8 66.7 -75.0 -12.6 16.3 36.2 -11.3 77 77 A D H <4 S+ 0 0 95 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.782 111.1 37.3 -67.3 -30.1 12.7 35.7 -12.7 78 78 A L H << S+ 0 0 47 -3,-1.3 -2,-0.2 -4,-0.8 -3,-0.1 0.896 131.7 24.7 -83.2 -49.3 12.2 33.5 -9.6 79 79 A T H < S- 0 0 15 -4,-2.1 -3,-0.2 1,-0.2 7,-0.2 0.649 105.1-120.0 -93.1 -20.0 14.2 35.4 -6.9 80 80 A G < - 0 0 31 -4,-1.3 -1,-0.2 -5,-0.3 -3,-0.1 -0.101 37.0 -80.2 85.2 163.5 14.1 38.9 -8.4 81 81 A E S S+ 0 0 174 1,-0.2 2,-1.7 -2,-0.1 3,-0.2 0.821 124.8 72.7 -71.6 -29.6 17.3 40.8 -9.3 82 82 A D > + 0 0 104 1,-0.2 4,-1.4 -6,-0.1 3,-0.4 -0.613 63.5 168.9 -80.2 80.1 17.8 41.6 -5.6 83 83 A V H > S+ 0 0 47 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.816 70.6 60.4 -65.4 -32.5 18.7 38.0 -4.7 84 84 A A H > S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.882 102.3 52.4 -63.1 -38.6 19.8 39.1 -1.2 85 85 A A H > S+ 0 0 37 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.878 107.1 53.4 -65.4 -37.7 16.3 40.3 -0.4 86 86 A F H X S+ 0 0 39 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.928 105.9 52.2 -58.9 -48.1 15.0 36.9 -1.6 87 87 A C H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.857 107.4 55.5 -58.6 -32.9 17.3 35.2 0.9 88 88 A D H X S+ 0 0 94 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.897 108.8 43.7 -64.1 -50.0 15.9 37.5 3.6 89 89 A E H >< S+ 0 0 138 -4,-1.9 3,-0.7 2,-0.2 4,-0.2 0.882 114.3 53.1 -61.1 -38.3 12.3 36.5 3.0 90 90 A L H 3< S+ 0 0 51 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.927 117.6 35.7 -61.9 -45.0 13.5 33.0 2.9 91 91 A X H >< S+ 0 0 12 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.353 82.0 111.5 -90.3 3.2 15.3 33.3 6.2 92 92 A K T << S+ 0 0 90 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.746 89.2 31.1 -59.8 -28.5 12.9 35.6 8.1 93 93 A D T 3 S+ 0 0 144 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.107 103.7 93.7-113.9 19.1 11.7 32.9 10.6 94 94 A T S < S- 0 0 8 -3,-2.2 2,-0.2 -46,-0.0 -3,-0.0 -0.936 81.3-111.6-115.8 135.7 15.0 31.0 10.7 95 95 A K - 0 0 90 -2,-0.4 -46,-0.6 4,-0.1 2,-0.2 -0.454 34.4-159.1 -65.7 130.6 17.6 31.6 13.3 96 96 A T B > -A 48 0A 19 -2,-0.2 4,-1.7 -48,-0.2 -50,-0.2 -0.674 31.8-111.3-102.3 163.1 20.8 33.1 11.9 97 97 A W H > S+ 0 0 94 -50,-1.5 4,-2.3 -52,-0.4 5,-0.2 0.873 121.1 58.9 -60.5 -35.5 24.3 33.1 13.4 98 98 A X H > S+ 0 0 86 -53,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.933 101.6 53.6 -59.1 -45.0 23.8 36.9 13.9 99 99 A D H > S+ 0 0 69 -54,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.908 110.3 47.7 -50.5 -47.4 20.7 36.1 16.0 100 100 A K H X S+ 0 0 93 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.860 110.0 51.7 -64.2 -38.1 23.0 33.8 18.1 101 101 A Y H X S+ 0 0 107 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.831 105.3 55.3 -71.4 -32.0 25.7 36.5 18.4 102 102 A R H X S+ 0 0 170 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.920 110.1 47.1 -61.5 -44.9 23.2 39.1 19.6 103 103 A T H X S+ 0 0 77 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.934 110.6 51.4 -60.9 -48.5 22.2 36.7 22.4 104 104 A K H X S+ 0 0 103 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 112.3 46.9 -55.2 -46.7 25.9 36.0 23.2 105 105 A L H X S+ 0 0 100 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.960 115.1 44.9 -59.5 -53.3 26.6 39.8 23.5 106 106 A N H X S+ 0 0 107 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.889 115.9 46.3 -61.1 -41.4 23.5 40.5 25.6 107 107 A D H < S+ 0 0 122 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.869 110.5 54.9 -68.8 -37.6 24.2 37.5 27.9 108 108 A S H < S+ 0 0 91 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.928 115.5 36.2 -60.7 -46.5 27.9 38.4 28.2 109 109 A I H >< S+ 0 0 89 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.861 86.2 164.2 -79.7 -34.6 27.2 41.9 29.4 110 110 A G T 3< S- 0 0 51 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.307 72.3 -24.4 59.4-130.2 24.1 40.9 31.4 111 111 A R T 3 0 0 159 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.073 360.0 360.0-102.2 23.1 23.2 43.7 33.9 112 112 A D < 0 0 196 -3,-2.3 -1,-0.2 0, 0.0 -2,-0.1 0.684 360.0 360.0 -65.1 360.0 26.7 45.2 34.0