==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUN-07 2V3G . COMPND 2 MOLECULE: ENDOGLUCANASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR P.J.MELONCELLI,T.M.GLOSTER,V.A.MONEY,C.A.TARLING,G.J.DAVIES, . 273 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.4 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 . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 0 1 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 1 2 0 2 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 1 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 8 A G 0 0 117 0, 0.0 2,-0.1 0, 0.0 243,-0.0 0.000 360.0 360.0 360.0 152.7 16.9 14.7 -1.9 2 9 A L - 0 0 27 1,-0.1 2,-0.3 243,-0.1 243,-0.2 -0.355 360.0-127.6 -61.4 129.4 16.4 17.5 0.6 3 10 A K E -a 245 0A 76 241,-2.2 243,-2.6 -2,-0.1 2,-0.5 -0.662 19.5-143.4 -82.8 135.9 19.5 18.1 2.7 4 11 A I E +a 246 0A 1 -2,-0.3 25,-2.3 241,-0.2 26,-1.6 -0.877 28.3 164.8-105.6 126.3 18.9 18.1 6.4 5 12 A G E -ab 247 30A 0 241,-2.8 243,-2.2 -2,-0.5 2,-0.3 -0.841 13.2-171.6-131.3 170.8 20.9 20.5 8.6 6 13 A A E -ab 248 31A 0 24,-1.4 26,-2.5 241,-0.3 2,-0.6 -0.946 31.7-137.6-158.2 148.2 21.0 22.0 12.0 7 14 A W E -a 249 0A 22 241,-2.2 243,-2.5 -2,-0.3 26,-0.1 -0.925 33.9-154.0 -84.2 124.3 22.5 24.5 14.3 8 15 A V - 0 0 15 -2,-0.6 3,-0.1 24,-0.5 241,-0.1 0.381 36.6-103.6 -93.6 7.3 22.8 22.2 17.3 9 16 A G S S+ 0 0 28 1,-0.2 2,-0.3 242,-0.1 243,-0.1 0.373 99.3 50.1 93.7 -5.8 22.6 24.8 20.0 10 17 A T S S- 0 0 82 3,-0.0 -2,-0.5 241,-0.0 -1,-0.2 -0.911 107.4 -65.3-149.7 168.6 26.4 24.7 20.8 11 18 A Q - 0 0 59 -2,-0.3 2,-2.2 1,-0.1 5,-0.2 -0.375 61.0-108.6 -60.0 138.5 29.6 24.8 18.7 12 19 A P + 0 0 0 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 -0.399 51.1 166.9 -83.4 74.6 29.7 21.7 16.5 13 20 A S > - 0 0 49 -2,-2.2 4,-2.4 1,-0.1 5,-0.2 -0.274 55.0 -96.3 -63.9 166.3 32.4 19.5 18.1 14 21 A E H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 128.0 47.0 -52.1 -47.0 32.6 15.9 17.0 15 22 A S H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.862 109.5 52.2 -72.7 -31.2 30.6 14.8 19.9 16 23 A A H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 112.5 46.6 -66.7 -39.0 27.9 17.5 19.5 17 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.950 114.8 45.3 -66.3 -50.1 27.4 16.5 15.8 18 25 A K H X S+ 0 0 108 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.908 112.0 52.8 -61.8 -40.2 27.3 12.8 16.7 19 26 A S H X S+ 0 0 77 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.896 109.0 48.9 -62.8 -40.6 24.9 13.5 19.6 20 27 A F H X S+ 0 0 6 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.876 108.7 53.7 -68.6 -36.0 22.5 15.4 17.3 21 28 A Q H X>S+ 0 0 33 -4,-2.2 4,-1.4 1,-0.2 5,-1.1 0.910 110.1 47.2 -64.0 -38.2 22.6 12.5 14.8 22 29 A E H <5S+ 0 0 156 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.880 113.5 50.8 -65.0 -40.2 21.6 10.1 17.6 23 30 A L H <5S+ 0 0 38 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.970 119.1 33.0 -63.4 -52.5 18.9 12.6 18.6 24 31 A Q H <5S- 0 0 1 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.572 103.3-128.2 -85.2 -8.0 17.4 13.0 15.2 25 32 A G T <5S+ 0 0 60 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.2 0.792 76.5 74.5 69.7 31.7 18.1 9.5 14.1 26 33 A R S - c 0 63A 49 -2,-0.3 3,-0.7 26,-0.2 0, 0.0 -0.277 35.0 -96.0 -98.3-174.1 31.7 36.9 14.6 37 44 A W T 3 S+ 0 0 1 26,-0.8 43,-0.1 1,-0.2 25,-0.0 0.065 117.2 62.1-100.1 26.5 34.2 39.1 12.7 38 45 A S T 3 S+ 0 0 78 2,-0.1 2,-0.5 42,-0.0 -1,-0.2 0.009 83.7 95.9-128.5 28.1 36.9 38.8 15.4 39 46 A T < - 0 0 24 -3,-0.7 2,-0.2 3,-0.0 -4,-0.0 -0.965 63.1-151.0-118.6 119.7 37.3 35.1 15.0 40 47 A D >> - 0 0 50 -2,-0.5 3,-1.6 1,-0.1 4,-1.0 -0.490 30.3-105.3 -86.6 165.1 40.0 33.7 12.7 41 48 A F H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.811 114.4 71.9 -60.1 -30.0 39.8 30.5 10.8 42 49 A S H 34 S+ 0 0 74 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.836 99.1 47.7 -55.2 -33.3 42.2 28.9 13.3 43 50 A W H <4 S+ 0 0 103 -3,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.858 114.5 46.4 -74.3 -35.0 39.4 28.9 15.8 44 51 A V H >X S+ 0 0 0 -4,-1.0 4,-2.4 1,-0.2 3,-1.6 0.821 92.7 84.4 -71.6 -34.9 36.9 27.4 13.3 45 52 A R H 3X S+ 0 0 91 -4,-2.7 4,-2.9 1,-0.3 5,-0.2 0.790 85.7 49.5 -48.7 -47.7 39.3 24.7 12.1 46 53 A P H 3> S+ 0 0 77 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.816 115.1 46.6 -65.5 -26.5 38.7 22.0 14.7 47 54 A Y H <> S+ 0 0 51 -3,-1.6 4,-2.3 -4,-0.3 -2,-0.2 0.903 111.5 50.6 -72.7 -46.9 35.0 22.4 14.2 48 55 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.935 108.6 53.2 -55.9 -43.0 35.3 22.3 10.4 49 56 A D H X S+ 0 0 58 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.914 108.0 49.8 -61.6 -41.1 37.4 19.2 10.7 50 57 A A H X S+ 0 0 12 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.918 112.5 48.4 -62.2 -42.3 34.7 17.4 12.8 51 58 A V H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.3 0.944 115.8 41.8 -62.6 -50.7 32.1 18.4 10.2 52 59 A Y H ><5S+ 0 0 36 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.876 110.0 57.0 -69.2 -33.5 34.1 17.2 7.2 53 60 A N H 3<5S+ 0 0 137 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.825 106.3 52.5 -64.7 -29.2 35.2 14.1 9.0 54 61 A N T 3<5S- 0 0 41 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.516 120.8-110.4 -79.4 -8.7 31.5 13.3 9.4 55 62 A G T < 5S+ 0 0 48 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.775 77.1 126.0 80.4 27.6 30.9 13.7 5.7 56 63 A S < - 0 0 6 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.656 60.8-115.8-111.0 169.9 28.9 17.0 6.2 57 64 A I E -c 30 0A 28 -28,-2.3 -26,-2.6 -2,-0.2 2,-0.5 -0.891 26.5-133.1-102.0 136.3 29.0 20.5 4.8 58 65 A L E -cd 31 95A 0 36,-0.6 38,-2.6 -2,-0.4 2,-0.5 -0.789 16.6-166.9 -90.4 127.4 29.8 23.4 7.2 59 66 A M E -cd 32 96A 0 -28,-2.8 -26,-2.4 -2,-0.5 2,-0.5 -0.977 8.3-164.2-110.1 122.8 27.6 26.4 6.9 60 67 A I E -cd 33 97A 0 36,-2.9 38,-3.1 -2,-0.5 2,-0.7 -0.941 14.2-152.0-109.7 125.2 28.9 29.4 8.8 61 68 A T E -cd 34 98A 0 -28,-2.8 -26,-2.7 -2,-0.5 2,-0.8 -0.879 19.4-156.3 -89.9 118.3 26.8 32.5 9.6 62 69 A W E -cd 35 99A 0 36,-1.6 38,-1.4 -2,-0.7 -26,-0.2 -0.867 7.9-164.4-111.3 97.8 29.5 35.2 9.7 63 70 A E E -c 36 0A 27 -28,-3.0 2,-2.0 -2,-0.8 -26,-0.8 -0.760 11.7-154.3 -98.3 109.0 28.2 38.0 11.9 64 71 A P > + 0 0 0 0, 0.0 3,-1.3 0, 0.0 -28,-0.1 -0.320 37.9 146.8 -85.6 66.1 30.0 41.4 11.7 65 72 A W T 3 S+ 0 0 129 -2,-2.0 3,-0.1 1,-0.2 -29,-0.0 0.834 77.3 54.3 -57.1 -29.5 29.3 42.8 15.1 66 73 A E T 3 S+ 0 0 70 -3,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.501 115.8 29.9 -86.6 -10.3 32.7 44.4 14.8 67 74 A Y < - 0 0 61 -3,-1.3 -1,-0.2 10,-0.0 10,-0.0 -0.916 68.5-149.9-152.4 126.9 32.2 46.2 11.4 68 75 A N > - 0 0 39 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.149 43.8 -87.2 -89.7-179.1 29.0 47.6 9.8 69 76 A T H > S+ 0 0 0 40,-0.3 4,-2.7 2,-0.2 5,-0.2 0.838 127.0 51.7 -62.0 -32.9 28.4 47.9 6.1 70 77 A V H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 6,-0.2 0.942 111.2 47.6 -68.0 -47.8 30.1 51.3 5.8 71 78 A D H 4>S+ 0 0 56 1,-0.2 5,-2.2 2,-0.2 6,-0.4 0.917 116.0 44.9 -53.5 -48.9 33.2 50.0 7.5 72 79 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 5,-0.2 0.946 112.1 50.1 -67.7 -48.6 33.3 47.0 5.4 73 80 A K H 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.2 54.1 -54.3 -38.4 32.6 48.8 2.1 74 81 A N T 3<5S- 0 0 98 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.484 118.4-110.8 -81.0 -5.2 35.4 51.2 2.9 75 82 A G T X 5S+ 0 0 22 -3,-1.7 3,-1.6 -4,-0.3 4,-0.3 0.490 76.8 131.9 92.2 8.4 37.9 48.4 3.3 76 83 A K T 3 S+ 0 0 1 -6,-0.4 4,-2.5 -5,-0.2 3,-0.4 0.250 82.2 110.8-103.3 8.9 37.9 45.0 7.7 78 85 A D H <> S+ 0 0 42 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.823 71.4 54.6 -64.9 -34.4 40.0 44.0 4.7 79 86 A A H > S+ 0 0 71 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.948 113.6 43.7 -59.6 -45.4 42.9 42.5 6.7 80 87 A Y H > S+ 0 0 6 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.915 115.1 47.8 -63.5 -47.3 40.6 40.3 8.6 81 88 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.918 110.7 52.5 -59.9 -44.7 38.6 39.3 5.5 82 89 A T H X S+ 0 0 40 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.920 108.0 49.4 -61.7 -44.0 41.8 38.6 3.6 83 90 A R H X S+ 0 0 96 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.918 110.8 51.0 -62.3 -41.9 43.1 36.3 6.2 84 91 A M H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.929 111.3 48.3 -60.3 -44.9 39.8 34.4 6.3 85 92 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.928 112.9 47.6 -61.2 -46.5 39.9 34.0 2.6 86 93 A Q H X S+ 0 0 96 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.920 114.4 46.5 -60.6 -45.1 43.5 32.8 2.6 87 94 A D H X S+ 0 0 46 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.889 113.0 48.3 -67.3 -40.4 42.8 30.3 5.4 88 95 A M H X S+ 0 0 1 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.880 111.3 50.7 -69.0 -35.7 39.6 29.0 3.8 89 96 A K H < S+ 0 0 116 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.948 111.0 48.6 -63.4 -46.0 41.3 28.6 0.4 90 97 A A H < S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.889 107.7 55.0 -60.9 -39.1 44.1 26.7 2.1 91 98 A Y H < S- 0 0 31 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.894 90.1-167.0 -62.2 -42.3 41.6 24.5 3.9 92 99 A G < + 0 0 42 -4,-2.1 -1,-0.1 1,-0.2 -3,-0.1 0.077 36.7 120.6 91.1 -24.8 40.1 23.7 0.5 93 100 A K S S- 0 0 86 -5,-0.1 2,-0.5 1,-0.1 -1,-0.2 -0.337 75.1 -88.1 -83.7 158.8 36.8 22.1 1.4 94 101 A E + 0 0 81 49,-0.1 -36,-0.6 -2,-0.1 2,-0.4 -0.564 51.0 178.7 -68.7 115.8 33.3 23.3 0.4 95 102 A I E -de 58 143A 0 47,-1.6 49,-2.9 -2,-0.5 2,-0.6 -0.955 23.2-143.9-121.0 133.5 32.1 25.8 2.9 96 103 A W E -de 59 144A 0 -38,-2.6 -36,-2.9 -2,-0.4 2,-0.5 -0.888 21.8-163.2 -96.5 121.5 28.8 27.7 2.8 97 104 A L E -de 60 145A 0 47,-3.1 49,-2.7 -2,-0.6 -36,-0.2 -0.941 13.6-173.0-116.7 127.9 29.3 31.2 4.1 98 105 A R E +d 61 0A 0 -38,-3.1 -36,-1.6 -2,-0.5 3,-0.4 -0.801 15.3 179.8-122.4 83.4 26.4 33.4 5.1 99 106 A P E +d 62 0A 3 0, 0.0 -36,-0.2 0, 0.0 49,-0.2 -0.598 61.8 7.3 -86.2 150.4 27.7 36.9 5.9 100 107 A L S S- 0 0 0 -38,-1.4 3,-0.4 -2,-0.2 48,-0.2 0.915 87.2-173.1 52.5 53.9 25.5 39.8 7.0 101 108 A H + 0 0 0 -3,-0.4 9,-0.1 1,-0.2 -1,-0.1 -0.182 53.7 23.4 -78.9 166.5 22.3 37.8 7.4 102 109 A E > + 0 0 11 1,-0.1 3,-1.7 2,-0.1 6,-0.3 0.833 68.0 157.4 48.1 44.5 18.8 39.0 8.2 103 110 A A T 3 + 0 0 0 45,-0.5 9,-2.2 -3,-0.4 10,-0.8 0.621 63.7 68.0 -78.8 -8.3 19.5 42.4 6.8 104 111 A N T 3 S+ 0 0 0 8,-0.2 50,-2.5 7,-0.2 -1,-0.3 0.226 93.8 76.0 -91.2 11.8 15.8 43.0 6.2 105 112 A G S < S- 0 0 0 -3,-1.7 8,-1.5 48,-0.2 9,-0.3 -0.373 80.7-130.1 -98.4-169.2 15.4 43.1 10.0 106 113 A D S S+ 0 0 71 7,-0.2 9,-0.5 -2,-0.1 49,-0.1 0.252 85.1 80.6-126.9 11.1 16.2 45.8 12.5 107 114 A W S S+ 0 0 95 -5,-0.3 -4,-0.1 7,-0.1 -5,-0.0 0.655 76.1 71.2-102.0 -16.4 18.1 43.8 15.1 108 115 A Y S > S- 0 0 32 -6,-0.3 3,-2.0 1,-0.1 6,-0.2 -0.788 78.2-128.6-104.6 147.2 21.6 43.6 13.7 109 116 A P T 3 S+ 0 0 25 0, 0.0 -40,-0.3 0, 0.0 -1,-0.1 0.590 110.6 49.9 -74.0 -2.3 24.0 46.5 13.4 110 117 A W T 3 S+ 0 0 0 -42,-0.2 2,-0.2 -9,-0.1 -7,-0.1 0.351 89.7 111.0-104.8 -0.8 24.6 45.7 9.7 111 118 A A S X S- 0 0 0 -3,-2.0 3,-1.2 1,-0.1 8,-0.4 -0.458 73.4-128.4 -82.4 150.0 20.9 45.4 8.9 112 119 A I T 3 S+ 0 0 11 -9,-2.2 -8,-0.2 1,-0.3 7,-0.1 0.878 110.5 51.3 -59.6 -41.3 19.1 47.9 6.7 113 120 A G T 3 S+ 0 0 3 -8,-1.5 43,-0.4 -10,-0.8 -1,-0.3 0.555 79.0 129.6 -76.8 -4.7 16.4 48.3 9.4 114 121 A Y X - 0 0 79 -3,-1.2 3,-2.4 -9,-0.3 5,-0.3 -0.292 69.0-116.8 -58.2 138.4 18.9 49.0 12.1 115 122 A S T 3 S+ 0 0 99 -9,-0.5 -1,-0.1 1,-0.3 -8,-0.0 0.508 107.5 64.0 -60.7 -18.0 18.0 52.2 14.1 116 123 A S T 3 S- 0 0 65 1,-0.1 -1,-0.3 -7,-0.0 -2,-0.1 0.648 93.1-139.2 -80.0 -12.6 21.0 54.2 13.2 117 124 A R < + 0 0 126 -3,-2.4 -2,-0.1 -6,-0.1 -1,-0.1 0.424 65.1 124.7 71.2 6.7 20.2 54.3 9.5 118 125 A V + 0 0 48 -4,-0.1 2,-0.6 -9,-0.1 -1,-0.1 0.776 54.5 73.4 -69.9 -29.0 23.9 53.7 8.5 119 126 A N + 0 0 4 -8,-0.4 2,-0.2 -5,-0.3 -2,-0.1 -0.804 61.5 170.8 -94.2 120.3 23.2 50.7 6.4 120 127 A T > - 0 0 54 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.696 50.5-101.6-113.8 168.0 21.6 51.3 3.1 121 128 A N H > S+ 0 0 48 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 124.1 51.6 -54.3 -43.1 21.0 49.0 0.2 122 129 A E H > S+ 0 0 140 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 111.5 43.3 -64.0 -46.4 24.0 50.6 -1.5 123 130 A T H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 115.3 51.1 -68.9 -37.1 26.4 50.2 1.4 124 131 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.953 112.5 44.4 -60.6 -50.3 25.1 46.6 2.0 125 132 A I H X S+ 0 0 37 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.919 113.7 50.0 -64.0 -43.6 25.6 45.5 -1.6 126 133 A A H X S+ 0 0 36 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.908 112.5 48.1 -62.0 -40.7 29.0 47.2 -1.8 127 134 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.941 112.9 47.0 -63.3 -48.1 30.0 45.4 1.4 128 135 A F H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.943 114.4 47.0 -60.3 -48.9 28.8 42.0 0.3 129 136 A R H X S+ 0 0 93 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.873 109.2 55.2 -61.4 -37.8 30.5 42.4 -3.1 130 137 A H H X S+ 0 0 48 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.917 107.7 48.9 -64.1 -41.8 33.7 43.5 -1.5 131 138 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.950 113.2 46.5 -59.5 -51.0 33.9 40.4 0.7 132 139 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.921 109.5 55.1 -61.5 -41.6 33.2 38.1 -2.3 133 140 A D H X S+ 0 0 77 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.914 108.1 48.5 -56.0 -48.0 35.8 40.0 -4.4 134 141 A I H X S+ 0 0 17 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.923 111.0 50.5 -61.2 -44.8 38.5 39.5 -1.7 135 142 A F H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-0.5 0.944 112.7 46.2 -58.8 -45.4 37.7 35.8 -1.5 136 143 A R H ><5S+ 0 0 96 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.889 107.7 56.2 -66.7 -37.3 37.9 35.4 -5.2 137 144 A A H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 109.4 48.8 -62.1 -26.3 41.2 37.3 -5.4 138 145 A N T <<5S- 0 0 47 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.251 118.7-111.4 -99.4 10.2 42.6 34.8 -2.9 139 146 A G T < 5 + 0 0 33 -3,-1.7 2,-2.0 1,-0.2 3,-0.3 0.612 66.0 147.5 77.5 12.4 41.4 31.8 -4.9 140 147 A A > < + 0 0 2 -5,-2.5 3,-1.6 1,-0.2 -1,-0.2 -0.292 9.0 141.6 -84.4 59.8 38.7 30.7 -2.4 141 148 A T T 3 + 0 0 108 -2,-2.0 -1,-0.2 1,-0.3 -5,-0.1 0.564 59.8 75.7 -80.3 -4.9 36.3 29.3 -4.9 142 149 A N T 3 S+ 0 0 22 -3,-0.3 -47,-1.6 -48,-0.1 2,-0.5 0.563 78.7 90.0 -72.5 -13.1 35.5 26.5 -2.5 143 150 A V E < -e 95 0A 5 -3,-1.6 2,-0.4 -49,-0.2 -47,-0.2 -0.809 67.4-155.9 -92.6 124.1 33.4 29.1 -0.5 144 151 A K E -e 96 0A 65 -49,-2.9 -47,-3.1 -2,-0.5 2,-0.5 -0.856 14.4-129.8-103.3 134.8 29.8 29.3 -1.6 145 152 A W E -e 97 0A 5 -2,-0.4 26,-2.5 -49,-0.2 27,-2.2 -0.743 16.3-160.9 -98.1 126.6 27.9 32.5 -0.9 146 153 A V B -i 172 0B 0 -49,-2.7 2,-0.2 -2,-0.5 27,-0.2 -0.920 1.5-160.7-111.6 110.9 24.5 32.5 0.9 147 154 A F - 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