==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-03 1UP3 . COMPND 2 MOLECULE: PUTATIVE CELLULASE CEL6; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.VARROT,S.LEYDIER,G.PELL,H.J.GILBERT,G.J.DAVIES . 293 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 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 . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 0 0 1 1 0 2 0 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 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 PARALLEL BRIDGES PER LADDER . 3 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 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 88 A A 0 0 132 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.1 10.9 10.6 -10.2 2 89 A N > - 0 0 46 1,-0.2 3,-1.3 2,-0.1 244,-0.0 -0.600 360.0-157.0 -72.2 114.5 12.6 12.6 -7.4 3 90 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 150,-0.1 0.626 88.9 59.4 -67.1 -11.4 9.8 13.7 -5.0 4 91 A L T 3 S+ 0 0 2 2,-0.1 3,-0.4 250,-0.1 2,-0.1 0.467 86.4 88.1 -98.3 -3.8 11.9 16.6 -3.7 5 92 A A S < S+ 0 0 44 -3,-1.3 250,-0.0 1,-0.2 249,-0.0 -0.451 70.7 49.9 -89.1 162.7 12.4 18.3 -7.0 6 93 A G S S+ 0 0 85 -2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.237 102.9 48.6 92.7 -21.9 9.9 20.9 -8.2 7 94 A K S S- 0 0 73 -3,-0.4 61,-0.1 62,-0.0 62,-0.1 -0.991 82.3-103.3-147.4 158.8 9.5 23.2 -5.2 8 95 A P - 0 0 88 0, 0.0 61,-2.7 0, 0.0 2,-0.2 -0.274 41.8-104.1 -66.3 155.0 11.7 25.0 -2.8 9 96 A F B -a 69 0A 22 59,-0.2 2,-0.2 235,-0.1 -5,-0.0 -0.543 46.6 -97.6 -74.6 145.0 12.3 23.7 0.7 10 97 A Y - 0 0 28 59,-2.5 2,-0.6 -2,-0.2 29,-0.5 -0.451 25.6-145.7 -71.9 128.9 10.4 25.6 3.4 11 98 A V - 0 0 48 -2,-0.2 -1,-0.1 27,-0.2 25,-0.1 -0.859 20.9-130.4 -91.3 117.6 12.1 28.3 5.4 12 99 A D > - 0 0 16 -2,-0.6 3,-1.2 25,-0.2 6,-0.2 -0.546 14.1-158.6 -68.8 112.6 10.7 28.2 9.0 13 100 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 22,-0.0 0.578 88.4 47.4 -74.6 -5.7 9.9 31.9 9.7 14 101 A A T 3 S+ 0 0 69 4,-0.1 -2,-0.1 5,-0.0 -3,-0.0 -0.012 78.3 135.7-122.9 24.4 10.0 31.3 13.5 15 102 A S <> - 0 0 4 -3,-1.2 4,-2.4 20,-0.2 5,-0.2 -0.337 68.9-114.0 -66.4 157.9 13.3 29.4 13.8 16 103 A A H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.866 120.4 56.4 -57.6 -37.4 15.6 30.3 16.6 17 104 A A H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 18,-0.3 0.879 107.2 47.3 -60.7 -42.7 18.0 31.4 13.9 18 105 A M H > S+ 0 0 26 2,-0.2 4,-2.3 -6,-0.2 -2,-0.2 0.911 111.1 51.3 -67.5 -40.7 15.4 33.8 12.4 19 106 A V H X S+ 0 0 65 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.955 113.3 45.6 -60.9 -46.8 14.6 35.2 15.9 20 107 A A H X S+ 0 0 16 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.900 112.0 51.3 -59.7 -43.2 18.3 35.8 16.4 21 108 A A H < S+ 0 0 12 -4,-2.3 7,-0.3 10,-0.2 -1,-0.2 0.886 111.7 46.9 -66.4 -37.0 18.8 37.4 13.0 22 109 A R H < S+ 0 0 162 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 115.1 46.4 -73.3 -27.8 15.8 39.8 13.5 23 110 A N H < S+ 0 0 123 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.675 82.7 117.6 -86.6 -20.3 17.1 40.7 17.0 24 111 A A < - 0 0 26 -4,-1.6 4,-0.0 -5,-0.2 -3,-0.0 -0.222 60.4-138.0 -56.9 130.6 20.7 41.3 15.9 25 112 A N S S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 -0.912 95.2 21.0-138.1 104.5 21.8 44.9 16.5 26 113 A P S S- 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.625 118.9 -96.1 -78.3 171.5 23.3 45.8 14.2 27 114 A P - 0 0 112 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.153 37.5-140.8 -52.0 142.6 22.1 43.2 11.6 28 115 A N > - 0 0 42 -7,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.953 6.3-153.4-117.1 121.7 24.5 40.2 11.3 29 116 A A H > S+ 0 0 65 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.823 94.3 52.7 -63.7 -35.6 25.2 38.7 7.9 30 117 A E H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 111.5 44.3 -70.0 -45.3 26.0 35.3 9.2 31 118 A L H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 -10,-0.2 0.902 112.6 52.4 -66.3 -39.1 22.8 34.9 11.2 32 119 A T H X S+ 0 0 53 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.911 108.6 51.5 -62.4 -42.3 20.7 36.3 8.4 33 120 A S H < S+ 0 0 32 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.953 113.9 42.5 -58.6 -51.5 22.3 33.7 6.0 34 121 A V H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.915 112.2 54.9 -60.9 -46.5 21.6 30.8 8.2 35 122 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 -18,-0.3 -2,-0.2 0.812 107.1 49.7 -58.5 -33.3 18.0 32.1 9.0 36 123 A N T 3< S+ 0 0 98 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.296 92.0 93.1 -91.8 7.4 17.0 32.3 5.4 37 124 A T S < S- 0 0 19 -3,-1.7 -25,-0.2 -4,-0.1 2,-0.1 -0.891 83.4-115.0-100.4 131.0 18.2 28.7 4.6 38 125 A P + 0 0 23 0, 0.0 220,-0.4 0, 0.0 -27,-0.2 -0.366 43.9 165.7 -66.1 137.4 15.6 26.0 4.8 39 126 A Q - 0 0 14 -29,-0.5 2,-0.3 -4,-0.1 219,-0.2 0.013 37.2 -84.8-122.3-138.4 16.3 23.4 7.5 40 127 A S - 0 0 0 219,-0.5 2,-0.6 217,-0.1 32,-0.2 -0.981 28.2-124.9-136.6 156.1 14.1 20.7 9.1 41 128 A Y E -b 72 0B 57 30,-2.6 32,-2.6 -2,-0.3 2,-0.4 -0.883 26.7-144.5-102.5 119.0 11.6 21.0 12.0 42 129 A W E -b 73 0B 51 -2,-0.6 2,-0.4 30,-0.2 32,-0.2 -0.715 14.7-169.0 -92.8 132.0 12.4 18.5 14.8 43 130 A L E +b 74 0B 1 30,-2.9 32,-2.9 -2,-0.4 2,-0.2 -0.920 17.5 146.6-118.3 139.9 9.6 16.8 16.7 44 131 A D > - 0 0 35 -2,-0.4 3,-2.1 30,-0.2 32,-0.2 -0.681 64.6 -49.1-147.3-156.9 9.9 14.8 19.9 45 132 A Q T 3 S+ 0 0 69 30,-0.4 31,-0.1 1,-0.3 46,-0.1 0.577 117.1 77.6 -69.3 -7.3 8.2 13.9 23.2 46 133 A A T 3 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 30,-0.0 0.606 91.5 59.6 -66.6 -17.1 7.6 17.6 23.9 47 134 A F S < S- 0 0 46 -3,-2.1 -1,-0.2 3,-0.0 5,-0.1 -0.900 90.8-150.3-113.8 93.6 4.7 17.2 21.3 48 135 A P >> - 0 0 57 0, 0.0 4,-2.3 0, 0.0 3,-1.8 -0.243 24.9-107.6 -69.1 160.4 2.4 14.6 22.8 49 136 A P H 3> S+ 0 0 48 0, 0.0 4,-0.5 0, 0.0 -4,-0.0 0.814 116.1 64.8 -48.7 -34.9 0.3 12.2 20.8 50 137 A A H 34 S+ 0 0 95 1,-0.2 4,-0.1 2,-0.1 49,-0.0 0.751 121.7 13.0 -64.9 -27.7 -2.8 14.1 21.9 51 138 A T H X> S+ 0 0 80 -3,-1.8 4,-1.5 2,-0.1 3,-0.8 0.518 96.7 92.8-126.1 -13.8 -1.7 17.3 20.1 52 139 A V H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.789 81.1 65.7 -62.3 -26.8 1.1 16.6 17.6 53 140 A G H 3X S+ 0 0 14 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.921 103.4 46.0 -57.0 -46.2 -1.3 16.0 14.8 54 141 A G H <> S+ 0 0 52 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.882 111.2 52.6 -64.1 -39.2 -2.4 19.6 15.0 55 142 A T H X S+ 0 0 38 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.917 113.0 44.2 -62.0 -43.8 1.2 20.8 15.1 56 143 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.913 112.4 51.0 -68.9 -42.8 2.1 18.7 12.0 57 144 A A H X S+ 0 0 47 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.893 111.0 50.2 -62.4 -38.6 -1.0 19.9 10.1 58 145 A R H X S+ 0 0 185 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.935 113.8 44.2 -62.6 -48.2 -0.2 23.5 10.9 59 146 A Y H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 116.4 44.1 -68.3 -45.2 3.4 23.2 9.7 60 147 A T H X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.881 114.6 51.0 -69.0 -35.7 2.7 21.2 6.5 61 148 A G H X S+ 0 0 32 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.885 109.3 50.2 -67.4 -37.7 -0.2 23.6 5.8 62 149 A A H X S+ 0 0 35 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.902 110.3 50.3 -65.8 -39.8 2.0 26.6 6.3 63 150 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-0.9 0.940 109.8 50.4 -64.6 -43.8 4.6 25.2 3.9 64 151 A Q H ><5S+ 0 0 121 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.886 106.7 54.9 -59.7 -40.6 1.9 24.5 1.3 65 152 A A H 3<5S+ 0 0 93 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.702 108.6 49.5 -64.2 -26.0 0.7 28.1 1.7 66 153 A A T <<5S- 0 0 64 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.344 116.1-115.8 -90.2 3.4 4.3 29.2 0.9 67 154 A G T < 5S+ 0 0 43 -3,-1.5 2,-0.3 -4,-0.2 -3,-0.2 0.825 76.4 123.3 65.0 35.5 4.5 26.9 -2.2 68 155 A A < - 0 0 7 -5,-2.5 -1,-0.2 -61,-0.1 -59,-0.2 -0.866 67.7-112.0-134.5 157.7 7.2 24.9 -0.4 69 156 A M B -a 9 0A 7 -61,-2.7 -59,-2.5 -2,-0.3 2,-0.2 -0.799 32.5-143.7 -91.1 117.4 8.2 21.4 0.7 70 157 A P - 0 0 1 0, 0.0 43,-2.4 0, 0.0 2,-0.5 -0.564 6.6-152.3 -77.7 146.5 8.3 21.1 4.5 71 158 A V E - c 0 113B 4 -2,-0.2 -30,-2.6 -61,-0.2 2,-0.4 -0.989 14.0-173.8-121.6 121.3 11.0 18.8 6.1 72 159 A L E -bc 41 114B 2 41,-2.9 43,-2.8 -2,-0.5 2,-0.5 -0.951 11.2-154.3-116.5 138.1 10.1 17.3 9.4 73 160 A T E -bc 42 115B 0 -32,-2.6 -30,-2.9 -2,-0.4 2,-0.6 -0.965 7.9-150.3-113.5 120.6 12.5 15.2 11.6 74 161 A L E +bc 43 116B 1 41,-2.9 43,-1.8 -2,-0.5 -30,-0.2 -0.829 25.3 163.4 -91.8 123.7 11.0 12.7 14.0 75 162 A Y + 0 0 28 -32,-2.9 -30,-0.4 -2,-0.6 14,-0.3 -0.495 36.7 106.4-140.6 59.3 13.2 12.2 17.1 76 163 A G + 0 0 0 -32,-0.2 14,-2.6 13,-0.1 4,-0.1 0.258 36.3 143.9-121.7 8.9 11.0 10.5 19.7 77 164 A I > - 0 0 4 12,-0.2 3,-1.0 -3,-0.1 11,-0.1 -0.163 59.4-101.3 -59.1 140.5 12.3 6.9 19.9 78 165 A P T 3 S+ 0 0 3 0, 0.0 13,-0.1 0, 0.0 11,-0.1 -0.369 110.4 22.5 -58.4 144.5 12.3 5.3 23.3 79 166 A H T > S- 0 0 76 11,-0.4 3,-2.3 9,-0.4 10,-0.2 0.841 93.2-163.3 61.7 36.6 15.8 5.3 24.9 80 167 A R B X +I 88 0C 20 8,-1.2 3,-1.6 -3,-1.0 8,-0.6 -0.231 68.8 0.6 -53.0 134.7 16.7 8.2 22.6 81 168 A D G > S- 0 0 22 1,-0.3 3,-1.7 6,-0.2 -1,-0.3 0.607 115.3 -87.5 60.9 16.9 20.5 8.7 22.3 82 169 A a G < S- 0 0 45 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.839 83.9 -57.0 48.8 38.6 21.0 5.8 24.7 83 170 A G G < S+ 0 0 61 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.611 109.6 123.7 75.1 15.9 20.7 8.2 27.6 84 171 A S S X S- 0 0 55 -3,-1.7 3,-2.3 -4,-0.2 -1,-0.1 0.186 82.4 -46.5 -90.7-151.4 23.5 10.5 26.5 85 172 A Y T 3 S+ 0 0 70 1,-0.3 191,-0.5 -4,-0.1 183,-0.1 0.808 140.1 42.9 -58.4 -30.5 23.6 14.2 25.8 86 173 A A T 3 S+ 0 0 14 -5,-0.2 -1,-0.3 189,-0.1 -4,-0.1 -0.015 83.4 158.9-105.9 30.8 20.4 14.1 23.7 87 174 A S < + 0 0 70 -3,-2.3 2,-0.3 -6,-0.2 -6,-0.2 -0.100 26.7 86.1 -50.9 146.6 18.5 11.7 26.1 88 175 A G B +I 80 0C 30 -8,-0.6 -8,-1.2 -11,-0.1 -9,-0.4 -0.983 28.3 131.5 156.3-143.8 14.7 11.8 25.7 89 176 A G - 0 0 13 -2,-0.3 -12,-0.2 -14,-0.3 -13,-0.1 -0.070 68.2 -43.7 79.7 170.2 12.1 10.2 23.6 90 177 A F - 0 0 21 -14,-2.6 -11,-0.4 1,-0.1 -10,-0.2 -0.350 50.7-122.8 -69.8 156.0 8.9 8.5 24.7 91 178 A A S S+ 0 0 79 -13,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.889 84.9 13.5 -71.1 -39.9 8.8 6.2 27.6 92 179 A T S > S- 0 0 64 1,-0.1 4,-2.2 -14,-0.1 5,-0.1 -0.872 73.2-110.1-136.0 163.8 7.5 3.0 25.9 93 180 A G H > S+ 0 0 4 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.858 116.7 58.6 -60.8 -37.8 6.8 1.6 22.5 94 181 A T H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 107.7 46.5 -56.5 -45.8 3.1 1.9 23.0 95 182 A D H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.922 111.8 51.2 -62.4 -45.1 3.5 5.6 23.5 96 183 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.919 108.1 51.9 -63.2 -42.8 5.7 5.9 20.5 97 184 A R H X S+ 0 0 100 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.901 108.8 50.1 -60.7 -38.0 3.2 4.1 18.3 98 185 A G H X S+ 0 0 27 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.895 109.6 52.4 -66.3 -36.9 0.4 6.4 19.4 99 186 A W H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.929 108.2 49.6 -61.9 -48.9 2.7 9.4 18.6 100 187 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.893 109.1 53.4 -59.0 -40.7 3.3 8.0 15.0 101 188 A D H X S+ 0 0 65 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.903 110.8 47.1 -59.6 -42.7 -0.4 7.5 14.5 102 189 A A H X S+ 0 0 15 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.899 109.7 51.5 -67.0 -43.6 -1.0 11.1 15.5 103 190 A V H X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.939 111.4 48.7 -56.9 -46.6 1.8 12.5 13.2 104 191 A A H X S+ 0 0 21 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.869 107.4 55.4 -62.2 -37.4 0.2 10.5 10.3 105 192 A S H < S+ 0 0 96 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 109.5 47.4 -62.3 -37.6 -3.2 11.9 11.1 106 193 A G H < S+ 0 0 10 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.802 107.8 55.2 -76.3 -28.1 -1.8 15.4 10.9 107 194 A L H >< S+ 0 0 1 -4,-1.7 3,-2.6 1,-0.2 -1,-0.2 0.881 74.9 163.2 -66.7 -40.5 -0.0 14.7 7.6 108 195 A G T 3< S- 0 0 41 -4,-1.8 -1,-0.2 1,-0.3 43,-0.1 -0.386 76.3 -35.0 54.8-123.1 -3.2 13.5 5.8 109 196 A S T 3 S+ 0 0 92 -2,-0.1 -1,-0.3 40,-0.1 -2,-0.1 0.074 104.8 130.3-111.8 21.1 -2.4 13.6 2.1 110 197 A S < - 0 0 32 -3,-2.6 2,-0.1 1,-0.1 41,-0.1 -0.424 65.6-100.0 -82.6 149.3 -0.2 16.7 2.4 111 198 A P + 0 0 32 0, 0.0 2,-0.3 0, 0.0 41,-0.2 -0.422 56.6 149.1 -64.3 134.8 3.3 17.0 0.9 112 199 A A E - d 0 152B 0 39,-1.8 41,-3.0 -2,-0.1 2,-0.5 -0.951 42.8-137.6-161.7 150.7 6.1 16.5 3.4 113 200 A T E -cd 71 153B 0 -43,-2.4 -41,-2.9 -2,-0.3 2,-0.5 -0.958 28.2-163.1-107.2 126.3 9.7 15.1 3.7 114 201 A I E -cd 72 154B 0 39,-2.6 41,-3.0 -2,-0.5 2,-0.6 -0.982 13.9-161.3-121.2 123.1 10.1 13.0 6.8 115 202 A I E -cd 73 155B 0 -43,-2.8 -41,-2.9 -2,-0.5 2,-0.8 -0.919 22.8-144.9 -99.5 112.8 13.4 12.1 8.4 116 203 A V E -cd 74 156B 1 39,-2.9 41,-2.5 -2,-0.6 69,-0.1 -0.748 56.7 -34.5 -94.3 109.5 12.7 9.1 10.6 117 204 A E > - 0 0 2 -43,-1.8 3,-2.0 -2,-0.8 4,-0.5 0.914 63.5-133.5 54.0 72.5 14.7 8.9 13.9 118 205 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 68,-0.0 -0.255 88.5 3.2 -46.4 129.3 18.2 10.2 13.4 119 206 A D T 3> S+ 0 0 28 1,-0.1 4,-2.8 -39,-0.1 5,-0.2 0.157 96.4 114.2 80.4 -12.0 20.7 7.6 15.0 120 207 A A H <> S+ 0 0 2 -3,-2.0 4,-0.5 1,-0.2 -3,-0.1 0.931 83.0 33.4 -64.0 -50.1 18.1 5.1 16.0 121 208 A L H >4 S+ 0 0 1 -4,-0.5 3,-0.6 36,-0.4 -1,-0.2 0.900 121.9 49.2 -69.1 -38.3 19.2 2.2 13.7 122 209 A A H 34 S+ 0 0 2 1,-0.2 3,-0.4 35,-0.1 -2,-0.2 0.836 116.6 40.6 -72.0 -33.1 22.9 3.1 13.9 123 210 A M H >< S+ 0 0 37 -4,-2.8 3,-2.1 1,-0.2 4,-0.2 0.420 83.0 105.8 -94.4 0.9 23.0 3.4 17.8 124 211 A A G X< + 0 0 0 -3,-0.6 3,-1.9 -4,-0.5 -1,-0.2 0.695 61.3 76.3 -61.4 -22.2 20.7 0.3 18.4 125 212 A D G 3 S+ 0 0 64 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.678 80.3 70.6 -65.7 -17.4 23.6 -1.8 19.6 126 213 A a G < S+ 0 0 74 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.694 92.0 78.8 -64.9 -19.1 23.6 0.0 22.9 127 214 A L S < S- 0 0 11 -3,-1.9 -48,-0.0 -4,-0.2 5,-0.0 -0.509 93.6-100.0 -90.1 159.9 20.4 -1.8 23.6 128 215 A S > - 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