==== 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 1UOZ . COMPND 2 MOLECULE: PUTATIVE CELLULASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.VARROT,S.LEYDIER,G.PELL,H.J.GILBERT,G.J.DAVIES . 300 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.7 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 . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 28.3 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 80 A G 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.4 -6.8 11.5 -23.8 2 81 A H - 0 0 173 1,-0.1 2,-0.5 0, 0.0 0, 0.0 -0.260 360.0-140.2 -49.1 144.0 -4.1 9.0 -22.9 3 82 A I - 0 0 152 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.979 17.9-133.5-114.4 119.9 -2.8 9.0 -19.3 4 83 A E - 0 0 146 -2,-0.5 2,-0.1 1,-0.1 3,-0.1 -0.299 18.8-114.2 -66.2 153.1 1.0 8.4 -18.9 5 84 A G - 0 0 66 1,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.344 48.9 -78.4 -72.5 168.4 2.5 6.0 -16.4 6 85 A R 0 0 254 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.423 360.0 360.0 -71.1 142.2 4.5 7.4 -13.6 7 86 A H 0 0 180 -2,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.753 360.0 360.0 -81.7 360.0 8.2 8.5 -14.1 8 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 9 88 A A 0 0 94 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 170.0 11.0 10.8 -10.2 10 89 A N > - 0 0 41 1,-0.2 3,-1.5 2,-0.1 244,-0.0 -0.560 360.0-155.4 -78.0 117.6 12.5 12.6 -7.3 11 90 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 150,-0.1 0.671 92.5 58.7 -68.1 -14.1 9.7 13.6 -4.8 12 91 A L T 3 S+ 0 0 4 2,-0.1 3,-0.4 242,-0.1 2,-0.3 0.508 87.8 89.6 -90.7 -9.7 11.9 16.4 -3.5 13 92 A A S < S+ 0 0 47 -3,-1.5 250,-0.0 1,-0.2 249,-0.0 -0.610 70.1 47.5 -86.0 146.0 12.4 18.2 -6.9 14 93 A G S S+ 0 0 83 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.182 101.2 42.0 116.9 -23.6 9.9 20.9 -8.0 15 94 A K S S- 0 0 77 -3,-0.4 61,-0.2 62,-0.0 -1,-0.1 -0.977 85.8 -95.1-144.7 158.8 9.4 23.3 -5.2 16 95 A P - 0 0 87 0, 0.0 61,-2.8 0, 0.0 2,-0.2 -0.299 43.2-101.6 -64.5 158.2 11.6 25.0 -2.7 17 96 A F B -a 77 0A 21 59,-0.2 2,-0.2 235,-0.1 -5,-0.0 -0.551 47.4 -98.6 -76.3 144.6 12.2 23.6 0.7 18 97 A Y - 0 0 23 59,-2.7 2,-0.6 -2,-0.2 29,-0.5 -0.474 26.0-145.3 -72.0 131.1 10.2 25.4 3.4 19 98 A V - 0 0 45 -2,-0.2 -1,-0.1 27,-0.2 25,-0.1 -0.846 21.5-128.4 -93.5 117.1 12.0 28.1 5.5 20 99 A D > - 0 0 30 -2,-0.6 3,-1.1 25,-0.2 6,-0.2 -0.525 15.4-158.1 -67.8 116.8 10.6 28.0 9.0 21 100 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 22,-0.0 0.591 88.3 45.4 -74.3 -10.2 9.6 31.6 9.8 22 101 A A T 3 S+ 0 0 68 4,-0.1 -2,-0.1 5,-0.0 5,-0.0 0.073 80.0 135.3-121.4 18.9 9.8 31.1 13.6 23 102 A S <> - 0 0 12 -3,-1.1 4,-2.4 20,-0.2 5,-0.2 -0.238 69.3-111.5 -64.1 161.0 13.0 29.1 14.0 24 103 A A H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 120.7 55.1 -58.8 -37.1 15.5 30.1 16.7 25 104 A A H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 18,-0.3 0.906 107.3 48.7 -64.3 -42.1 17.8 31.3 13.9 26 105 A M H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 110.7 50.5 -64.6 -41.2 15.1 33.6 12.5 27 106 A V H X S+ 0 0 74 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.933 113.8 45.6 -59.3 -47.2 14.4 35.0 16.0 28 107 A A H X S+ 0 0 15 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.908 112.4 50.4 -64.0 -41.7 18.2 35.6 16.5 29 108 A A H < S+ 0 0 11 -4,-2.8 7,-0.3 10,-0.2 3,-0.2 0.903 111.6 47.8 -64.7 -41.1 18.6 37.1 13.1 30 109 A R H < S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.826 114.2 47.8 -69.2 -29.6 15.7 39.5 13.6 31 110 A N H < S+ 0 0 123 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.685 81.5 117.4 -84.0 -20.1 17.0 40.5 17.1 32 111 A A < - 0 0 26 -4,-1.4 4,-0.1 -3,-0.2 -3,-0.0 -0.243 59.6-139.7 -58.7 129.5 20.6 41.1 16.0 33 112 A N S S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 -0.886 95.0 22.9-134.7 100.2 21.5 44.7 16.6 34 113 A P S S- 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.532 118.4 -98.0 -78.9 172.5 23.2 45.6 14.3 35 114 A P - 0 0 110 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.128 37.0-138.8 -50.9 144.5 22.0 43.1 11.7 36 115 A N > - 0 0 37 -7,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.953 6.8-153.0-116.1 124.5 24.4 40.1 11.3 37 116 A A H > S+ 0 0 64 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.856 95.6 51.1 -62.5 -38.9 25.1 38.7 7.9 38 117 A E H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.959 112.0 44.6 -65.8 -49.9 25.9 35.2 9.2 39 118 A L H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 -10,-0.2 0.894 112.7 51.0 -63.9 -44.7 22.7 34.8 11.2 40 119 A T H X S+ 0 0 55 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.917 109.5 50.6 -59.4 -43.1 20.5 36.2 8.5 41 120 A S H < S+ 0 0 33 -4,-2.0 4,-0.2 -5,-0.2 -1,-0.2 0.934 113.9 44.4 -59.0 -49.9 22.0 33.8 5.9 42 121 A V H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.938 111.6 52.9 -61.5 -45.9 21.4 30.8 8.2 43 122 A A H 3< S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.813 108.0 51.7 -60.1 -33.5 17.9 31.9 9.2 44 123 A N T 3< S+ 0 0 96 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.378 90.8 93.0 -88.4 6.0 16.9 32.2 5.5 45 124 A T S < S- 0 0 21 -3,-1.8 -25,-0.2 -4,-0.2 2,-0.1 -0.866 84.4-114.5-100.6 129.9 18.1 28.7 4.6 46 125 A P + 0 0 25 0, 0.0 220,-0.4 0, 0.0 -27,-0.2 -0.379 45.6 163.2 -65.6 136.5 15.5 25.9 4.8 47 126 A Q - 0 0 21 -29,-0.5 2,-0.3 -4,-0.1 32,-0.2 0.098 37.3 -82.1-126.0-136.6 16.2 23.4 7.6 48 127 A S - 0 0 3 219,-0.3 2,-0.6 217,-0.1 32,-0.2 -0.986 27.0-124.6-142.3 153.5 14.0 20.7 9.2 49 128 A Y E -b 80 0B 43 30,-2.5 32,-2.6 -2,-0.3 2,-0.4 -0.853 26.9-145.2-104.2 114.2 11.5 20.9 12.1 50 129 A W E -b 81 0B 35 -2,-0.6 2,-0.4 30,-0.2 32,-0.2 -0.704 15.6-172.7 -89.1 128.6 12.3 18.5 14.9 51 130 A L E +b 82 0B 0 30,-2.8 32,-2.9 -2,-0.4 2,-0.2 -0.953 16.3 146.4-119.3 140.3 9.5 16.8 16.8 52 131 A D > - 0 0 34 -2,-0.4 3,-2.1 30,-0.2 32,-0.2 -0.637 64.9 -47.3-148.8-159.0 9.9 14.6 19.9 53 132 A Q T 3 S+ 0 0 67 30,-0.4 31,-0.1 1,-0.3 46,-0.1 0.574 117.2 77.6 -67.9 -9.0 8.3 13.7 23.2 54 133 A A T 3 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 30,-0.0 0.602 89.7 63.1 -67.9 -11.3 7.6 17.4 24.0 55 134 A F S < S- 0 0 46 -3,-2.1 -1,-0.2 3,-0.0 5,-0.1 -0.909 89.6-147.8-115.0 95.9 4.7 17.0 21.4 56 135 A P >> - 0 0 56 0, 0.0 4,-2.4 0, 0.0 3,-2.0 -0.272 23.3-111.0 -69.4 158.5 2.4 14.4 23.0 57 136 A P H 3> S+ 0 0 42 0, 0.0 4,-0.5 0, 0.0 -4,-0.0 0.838 115.3 65.4 -51.4 -35.4 0.3 12.0 20.8 58 137 A A H 34 S+ 0 0 95 1,-0.2 4,-0.1 2,-0.1 49,-0.0 0.750 121.0 14.0 -62.1 -24.9 -2.8 13.9 21.9 59 138 A T H X> S+ 0 0 79 -3,-2.0 4,-1.4 2,-0.1 3,-0.7 0.541 97.1 92.0-128.0 -12.6 -1.7 17.1 20.2 60 139 A V H 3X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.3 5,-0.2 0.790 81.1 65.2 -64.0 -28.3 1.1 16.4 17.7 61 140 A G H 3X S+ 0 0 12 -4,-0.5 4,-2.8 1,-0.2 -1,-0.3 0.932 103.9 45.4 -57.3 -46.3 -1.3 15.8 14.8 62 141 A G H <> S+ 0 0 52 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.876 111.3 52.9 -66.0 -35.6 -2.5 19.4 15.0 63 142 A T H X S+ 0 0 35 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.931 112.4 45.3 -61.3 -46.1 1.1 20.6 15.2 64 143 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.923 112.2 50.6 -64.8 -45.7 2.0 18.6 12.1 65 144 A A H X S+ 0 0 45 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.898 110.1 51.2 -61.0 -40.1 -1.1 19.7 10.2 66 145 A R H X S+ 0 0 185 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.934 113.6 44.1 -61.9 -47.5 -0.3 23.4 11.0 67 146 A Y H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.936 116.6 44.1 -66.5 -47.3 3.3 23.1 9.8 68 147 A T H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.868 114.1 51.2 -68.0 -35.2 2.6 21.2 6.6 69 148 A G H X S+ 0 0 32 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.876 109.3 50.6 -66.6 -38.1 -0.3 23.5 5.8 70 149 A A H X S+ 0 0 36 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.910 110.3 49.9 -64.1 -42.7 1.9 26.5 6.3 71 150 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.6 0.937 109.8 50.5 -62.7 -44.3 4.5 25.0 4.0 72 151 A Q H ><5S+ 0 0 113 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.902 107.7 53.4 -59.0 -40.7 1.8 24.3 1.4 73 152 A A H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.739 109.7 49.6 -66.0 -22.4 0.6 28.0 1.7 74 153 A A T <<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.370 114.9-118.7 -91.7 0.4 4.2 29.0 1.0 75 154 A G T < 5S+ 0 0 42 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.2 0.827 75.0 122.4 64.3 35.6 4.4 26.7 -2.1 76 155 A A < - 0 0 7 -5,-2.5 -1,-0.2 -61,-0.2 -59,-0.2 -0.859 68.6-112.0-134.6 157.8 7.2 24.8 -0.4 77 156 A M B -a 17 0A 7 -61,-2.8 -59,-2.7 -2,-0.3 2,-0.3 -0.802 32.7-143.2 -90.3 115.8 8.1 21.3 0.8 78 157 A P - 0 0 1 0, 0.0 43,-2.5 0, 0.0 2,-0.5 -0.613 6.4-151.6 -78.0 143.6 8.3 21.0 4.6 79 158 A V E - c 0 121B 3 -2,-0.3 -30,-2.5 -61,-0.3 2,-0.4 -0.965 14.8-173.6-114.1 124.1 11.0 18.8 6.1 80 159 A L E -bc 49 122B 2 41,-3.0 43,-2.7 -2,-0.5 2,-0.5 -0.957 11.8-154.0-118.9 138.5 10.2 17.2 9.5 81 160 A T E -bc 50 123B 0 -32,-2.6 -30,-2.8 -2,-0.4 2,-0.6 -0.965 7.8-151.4-114.4 119.7 12.5 15.2 11.7 82 161 A L E +bc 51 124B 0 41,-2.7 43,-2.1 -2,-0.5 -30,-0.2 -0.827 24.3 164.2 -92.4 123.8 11.0 12.7 14.0 83 162 A Y + 0 0 23 -32,-2.9 -30,-0.4 -2,-0.6 14,-0.2 -0.472 36.2 107.6-141.1 57.6 13.2 12.2 17.1 84 163 A G + 0 0 0 -32,-0.2 14,-2.7 13,-0.1 4,-0.1 0.247 35.6 143.8-119.0 9.5 11.0 10.4 19.7 85 164 A I > - 0 0 3 12,-0.2 3,-1.0 1,-0.1 11,-0.1 -0.184 59.0-101.4 -60.5 142.8 12.3 6.9 19.8 86 165 A P T 3 S+ 0 0 2 0, 0.0 13,-0.1 0, 0.0 11,-0.1 -0.317 110.3 21.1 -58.3 146.1 12.3 5.2 23.3 87 166 A H T > S- 0 0 69 11,-0.5 3,-2.2 9,-0.3 10,-0.2 0.851 93.7-163.7 61.8 36.0 15.8 5.2 24.8 88 167 A R B X +I 96 0C 20 8,-1.2 3,-1.7 -3,-1.0 8,-0.6 -0.179 67.5 2.3 -56.1 137.1 16.7 8.1 22.5 89 168 A D G > S- 0 0 22 1,-0.3 3,-1.9 6,-0.2 -1,-0.3 0.638 115.3 -87.2 61.4 17.2 20.5 8.7 22.3 90 169 A a G < S- 0 0 45 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.809 83.4 -58.8 49.7 35.3 21.1 5.7 24.5 91 170 A G G < S+ 0 0 59 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.591 108.8 123.7 74.4 16.8 20.7 8.1 27.5 92 171 A S S X S- 0 0 57 -3,-1.9 3,-2.1 -4,-0.2 -1,-0.1 0.235 83.1 -45.9 -90.3-151.6 23.6 10.5 26.4 93 172 A Y T 3 S+ 0 0 67 1,-0.3 191,-0.5 -4,-0.1 183,-0.1 0.754 139.7 44.0 -58.0 -30.6 23.5 14.2 25.8 94 173 A A T 3 S+ 0 0 15 -5,-0.2 -1,-0.3 189,-0.1 -4,-0.1 -0.058 83.3 157.9-105.6 32.7 20.3 14.1 23.6 95 174 A S < + 0 0 68 -3,-2.1 2,-0.3 -6,-0.2 -6,-0.2 -0.149 24.6 86.8 -53.3 151.0 18.5 11.7 26.0 96 175 A G B +I 88 0C 31 -8,-0.6 -8,-1.2 -11,-0.1 -9,-0.3 -0.977 28.8 135.9 154.4-143.2 14.7 11.7 25.7 97 176 A G - 0 0 13 -2,-0.3 -12,-0.2 -14,-0.2 -13,-0.1 -0.070 65.9 -47.2 85.4 166.2 12.1 10.0 23.6 98 177 A F - 0 0 19 -14,-2.7 -11,-0.5 1,-0.1 -10,-0.2 -0.310 50.9-122.2 -68.3 155.9 8.8 8.4 24.6 99 178 A A S S+ 0 0 78 -13,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.873 84.8 14.5 -68.2 -41.7 8.8 6.1 27.6 100 179 A T S > S- 0 0 65 1,-0.1 4,-2.2 -14,-0.1 5,-0.1 -0.893 73.7-110.5-135.1 163.1 7.4 3.0 25.9 101 180 A G H > S+ 0 0 5 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.865 116.4 59.1 -62.2 -36.5 6.8 1.5 22.5 102 181 A T H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 107.3 46.5 -59.9 -42.1 3.1 1.8 23.0 103 182 A D H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 110.9 52.0 -65.0 -41.3 3.5 5.6 23.4 104 183 A Y H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.917 108.8 50.5 -60.6 -43.8 5.8 5.8 20.4 105 184 A R H X S+ 0 0 93 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.915 110.2 49.9 -61.4 -43.6 3.2 4.0 18.2 106 185 A G H X S+ 0 0 26 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.877 109.8 52.1 -61.5 -37.2 0.5 6.3 19.4 107 186 A W H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.938 109.1 48.7 -62.5 -49.4 2.7 9.3 18.5 108 187 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.904 108.3 54.5 -56.8 -44.1 3.3 8.0 15.0 109 188 A D H X S+ 0 0 72 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.926 110.8 46.4 -57.5 -41.7 -0.4 7.4 14.5 110 189 A A H X S+ 0 0 17 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 110.3 51.7 -69.6 -40.9 -1.0 11.1 15.5 111 190 A V H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.942 110.4 49.5 -57.6 -47.0 1.8 12.4 13.2 112 191 A A H X S+ 0 0 20 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.887 108.3 53.6 -62.0 -39.7 0.3 10.4 10.3 113 192 A S H < S+ 0 0 96 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.921 109.7 48.3 -60.0 -42.5 -3.1 11.9 11.1 114 193 A G H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.829 107.8 54.5 -66.7 -34.9 -1.7 15.3 10.9 115 194 A L H >< S+ 0 0 1 -4,-2.0 3,-2.6 1,-0.2 -1,-0.2 0.861 76.6 163.2 -65.9 -39.5 0.1 14.7 7.6 116 195 A G T 3< S- 0 0 45 -4,-1.8 -1,-0.2 1,-0.3 43,-0.1 -0.342 75.0 -35.0 57.7-123.7 -3.1 13.6 5.9 117 196 A S T 3 S+ 0 0 92 40,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.096 105.8 126.9-109.8 15.3 -2.4 13.7 2.2 118 197 A S < - 0 0 26 -3,-2.6 2,-0.1 1,-0.1 41,-0.1 -0.419 67.8 -97.7 -82.1 151.3 -0.2 16.7 2.3 119 198 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 41,-0.2 -0.403 56.7 149.1 -63.0 138.2 3.4 17.0 0.9 120 199 A A E - d 0 160B 0 39,-1.9 41,-2.9 -43,-0.1 2,-0.5 -0.958 41.7-138.5-164.0 151.6 6.1 16.4 3.5 121 200 A T E -cd 79 161B 0 -43,-2.5 -41,-3.0 -2,-0.3 2,-0.5 -0.979 27.0-162.6-109.7 126.3 9.7 15.1 3.8 122 201 A I E -cd 80 162B 1 39,-2.7 41,-2.9 -2,-0.5 2,-0.7 -0.964 13.7-160.6-119.9 122.5 10.1 13.0 6.9 123 202 A I E -cd 81 163B 0 -43,-2.7 -41,-2.7 -2,-0.5 2,-0.9 -0.911 23.6-144.9 -96.8 111.0 13.5 12.1 8.4 124 203 A V E -cd 82 164B 1 39,-3.0 41,-2.5 -2,-0.7 69,-0.1 -0.734 56.4 -34.5 -91.5 108.5 12.7 9.1 10.7 125 204 A E > - 0 0 1 -43,-2.1 3,-2.3 -2,-0.9 4,-0.5 0.927 64.1-131.2 58.3 69.2 14.7 8.9 13.9 126 205 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 68,-0.0 -0.210 89.4 1.0 -40.8 129.1 18.3 10.2 13.5 127 206 A D T 3> S+ 0 0 28 1,-0.1 4,-2.7 -39,-0.1 5,-0.2 0.228 95.8 116.5 76.0 -12.6 20.7 7.6 15.0 128 207 A A H <> S+ 0 0 2 -3,-2.3 4,-0.6 1,-0.2 -3,-0.1 0.949 84.0 32.3 -62.1 -50.2 18.1 5.0 16.0 129 208 A L H >4 S+ 0 0 2 -4,-0.5 3,-0.6 36,-0.4 -1,-0.2 0.906 121.4 50.7 -69.2 -38.5 19.2 2.2 13.7 130 209 A A H 34 S+ 0 0 3 1,-0.2 3,-0.3 35,-0.1 -2,-0.2 0.830 117.6 37.9 -68.3 -34.8 22.9 3.2 13.9 131 210 A M H >< S+ 0 0 42 -4,-2.7 3,-2.2 1,-0.2 -1,-0.2 0.421 83.7 108.3 -95.3 -1.8 23.0 3.3 17.7 132 211 A A G X< + 0 0 0 -3,-0.6 3,-2.0 -4,-0.6 -1,-0.2 0.659 59.9 76.3 -59.6 -22.7 20.7 0.4 18.4 133 212 A D G 3 S+ 0 0 91 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.617 78.7 74.5 -69.5 -9.0 23.5 -1.9 19.6 134 213 A a G < S+ 0 0 69 -3,-2.2 -1,-0.3 2,-0.1 2,-0.2 0.693 90.4 76.4 -67.1 -15.6 23.5 0.0 22.9 135 214 A L S < S- 0 0 21 -3,-2.0 -48,-0.0 -4,-0.2 6,-0.0 -0.554 94.1-100.3 -93.8 158.2 20.2 -1.8 23.6 136 215 A S > - 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