==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-12 4AVN . COMPND 2 MOLECULE: CELLOBIOHYDROLASE. GLYCOSYL HYDROLASE FAMILY 6; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR M.WU,T.V.VUONG,D.B.WILSON,M.SANDGREN,J.STAHLBERG,H.HANSSON . 420 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 0 0 1 2 3 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 1 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 PARALLEL BRIDGES PER LADDER . 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 139 A E 0 0 240 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -27.9 -1.3 -17.9 25.7 2 140 A K - 0 0 70 1,-0.1 177,-0.1 178,-0.1 179,-0.0 -0.517 360.0 -92.6 -67.7 145.1 0.0 -14.3 26.0 3 141 A V - 0 0 51 -2,-0.2 -1,-0.1 1,-0.1 5,-0.0 -0.242 27.6-121.0 -62.4 151.0 -2.9 -11.8 25.7 4 142 A D S S+ 0 0 99 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.876 103.8 18.3 -58.8 -41.5 -3.7 -10.4 22.3 5 143 A N > - 0 0 7 3,-0.1 3,-1.6 1,-0.1 -1,-0.3 -0.913 67.3-159.8-137.4 105.4 -3.0 -6.8 23.5 6 144 A P T 3 S+ 0 0 0 0, 0.0 122,-0.1 0, 0.0 -1,-0.1 0.675 93.1 58.2 -61.5 -18.4 -1.0 -6.3 26.7 7 145 A F T > S+ 0 0 2 2,-0.1 3,-1.4 332,-0.1 2,-0.2 0.711 83.8 104.0 -80.2 -21.0 -2.4 -2.8 27.2 8 146 A E T < S- 0 0 109 -3,-1.6 3,-0.1 1,-0.3 -3,-0.1 -0.444 96.2 -5.1 -71.5 125.3 -6.0 -4.1 27.2 9 147 A G T 3 S+ 0 0 69 -2,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.663 107.2 124.3 68.8 19.6 -7.7 -4.2 30.6 10 148 A A < - 0 0 20 -3,-1.4 65,-0.3 63,-0.1 -1,-0.2 -0.884 62.8-126.9-118.0 141.4 -4.5 -3.2 32.4 11 149 A K E -a 75 0A 119 63,-2.6 65,-3.0 -2,-0.4 2,-0.4 -0.493 38.4-122.5 -65.3 150.4 -3.4 -0.4 34.8 12 150 A L E -a 76 0A 42 63,-0.2 65,-0.2 -2,-0.1 -1,-0.0 -0.871 21.1-108.3-107.8 136.4 -0.4 1.4 33.4 13 151 A Y - 0 0 0 63,-2.5 2,-0.6 -2,-0.4 23,-0.4 -0.318 23.2-152.3 -58.5 133.2 2.9 1.8 35.2 14 152 A V - 0 0 19 21,-0.2 21,-0.2 51,-0.1 55,-0.1 -0.962 14.8-137.9-107.3 114.9 3.8 5.2 36.6 15 153 A N > - 0 0 10 -2,-0.6 4,-3.0 19,-0.3 5,-0.2 -0.630 8.4-157.4 -69.9 109.9 7.5 5.7 36.8 16 154 A P H > S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.836 91.5 55.8 -60.9 -32.7 8.2 7.5 40.1 17 155 A V H > S+ 0 0 29 2,-0.2 4,-1.2 1,-0.2 38,-0.1 0.949 115.1 36.8 -63.1 -51.1 11.6 8.8 38.8 18 156 A W H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 113.6 58.4 -66.9 -43.2 10.0 10.5 35.8 19 157 A S H X S+ 0 0 25 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.866 103.9 51.3 -55.1 -41.9 6.9 11.5 37.8 20 158 A A H X S+ 0 0 62 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.881 109.7 50.2 -65.4 -37.9 8.9 13.5 40.4 21 159 A K H < S+ 0 0 55 -4,-1.2 4,-0.4 2,-0.2 3,-0.2 0.925 113.0 45.1 -66.9 -45.9 10.7 15.4 37.6 22 160 A A H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 6,-0.2 0.920 111.7 53.0 -61.5 -46.2 7.4 16.3 35.9 23 161 A A H 3< S+ 0 0 52 -4,-2.5 6,-0.4 1,-0.3 -1,-0.2 0.752 100.5 61.1 -62.8 -28.3 5.8 17.3 39.2 24 162 A A T 3< S+ 0 0 85 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.616 91.0 87.0 -76.1 -12.7 8.6 19.7 40.1 25 163 A E S X S- 0 0 18 -3,-1.4 3,-2.5 -4,-0.4 4,-0.4 -0.628 99.5 -89.5 -85.6 148.1 7.8 21.7 37.0 26 164 A P T 3 S- 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.394 114.8 -1.5 -58.7 118.8 5.2 24.6 37.0 27 165 A G T > S+ 0 0 48 -2,-0.2 3,-1.5 -4,-0.2 4,-0.2 0.408 97.6 125.6 79.3 0.3 1.9 22.9 36.2 28 166 A G G X> + 0 0 0 -3,-2.5 3,-1.8 1,-0.3 4,-0.9 0.700 53.2 76.6 -66.6 -22.1 3.7 19.5 35.7 29 167 A S G 34 S+ 0 0 94 -4,-0.4 4,-0.5 -6,-0.4 -1,-0.3 0.781 79.5 73.7 -58.1 -27.6 1.4 17.8 38.2 30 168 A A G <4 S+ 0 0 60 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.757 115.1 20.2 -57.5 -26.5 -1.3 17.7 35.4 31 169 A V T X4 S+ 0 0 0 -3,-1.8 3,-2.1 -4,-0.2 -1,-0.2 0.392 94.3 102.3-122.1 1.0 0.7 15.0 33.6 32 170 A A T 3< S+ 0 0 7 -4,-0.9 -9,-0.1 1,-0.3 -2,-0.1 0.683 81.7 53.6 -66.8 -18.5 2.8 13.6 36.5 33 171 A N T 3 S+ 0 0 126 -4,-0.5 -1,-0.3 2,-0.1 2,-0.2 0.209 84.1 114.2 -98.3 15.4 0.6 10.5 36.9 34 172 A E S < S- 0 0 55 -3,-2.1 2,-0.4 -19,-0.1 -19,-0.3 -0.564 73.0-108.9 -81.2 150.3 0.8 9.5 33.2 35 173 A S + 0 0 4 -2,-0.2 316,-0.4 -21,-0.2 2,-0.3 -0.675 39.9 176.5 -82.8 129.0 2.5 6.3 32.2 36 174 A T - 0 0 0 -23,-0.4 42,-0.3 -2,-0.4 316,-0.2 -0.941 32.6-101.2-128.2 153.1 5.9 6.5 30.5 37 175 A A - 0 0 1 314,-1.5 2,-0.5 -2,-0.3 42,-0.2 -0.412 29.5-125.9 -72.8 146.2 8.3 3.8 29.4 38 176 A V E -b 79 0A 6 40,-3.3 42,-3.1 -2,-0.1 2,-0.4 -0.842 25.1-143.5 -94.7 124.3 11.4 3.0 31.5 39 177 A W E -b 80 0A 34 -2,-0.5 2,-0.9 40,-0.2 42,-0.1 -0.745 14.0-161.9 -95.4 130.3 14.6 3.1 29.4 40 178 A L E +b 81 0A 3 40,-2.6 42,-1.1 -2,-0.4 6,-0.1 -0.721 29.7 158.0-103.3 78.1 17.5 0.7 29.9 41 179 A D + 0 0 11 -2,-0.9 2,-0.3 40,-0.1 -1,-0.1 0.489 60.1 23.9 -84.8 -5.0 20.0 3.0 28.1 42 180 A R S > S- 0 0 45 -3,-0.1 3,-1.1 1,-0.1 4,-0.4 -0.970 79.7-111.1-152.8 155.0 23.2 1.5 29.8 43 181 A I T >> S+ 0 0 36 -2,-0.3 3,-1.8 1,-0.2 4,-0.6 0.901 119.7 62.3 -54.3 -41.2 24.3 -1.7 31.4 44 182 A G H 3> S+ 0 0 29 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.730 91.2 65.1 -56.8 -25.6 24.4 0.4 34.6 45 183 A A H <4 S+ 0 0 1 -3,-1.1 14,-0.4 2,-0.2 -1,-0.3 0.679 90.1 67.9 -72.7 -17.1 20.6 1.1 34.3 46 184 A I H <4 S+ 0 0 6 -3,-1.8 13,-2.4 -4,-0.4 14,-0.6 0.965 116.2 21.9 -68.0 -54.0 20.0 -2.7 34.9 47 185 A E H < S- 0 0 149 -4,-0.6 11,-0.4 11,-0.2 -2,-0.2 0.713 126.5 -98.5 -80.4 -24.2 21.2 -2.7 38.6 48 186 A G < - 0 0 26 -4,-1.7 10,-0.2 -5,-0.2 -3,-0.2 0.186 34.8-162.7 104.6 132.4 20.6 1.1 38.9 49 187 A N - 0 0 47 6,-0.7 7,-0.2 8,-0.2 6,-0.1 0.231 35.6-118.9-133.9 12.2 23.3 3.7 38.6 50 188 A D + 0 0 126 5,-1.2 6,-0.2 1,-0.1 -5,-0.1 0.859 61.4 160.6 45.6 43.7 22.0 7.0 40.1 51 189 A S B > -I 55 0B 19 4,-1.0 4,-2.0 1,-0.1 -1,-0.1 -0.410 57.5-112.6 -90.9 164.4 22.4 8.6 36.7 52 190 A P T 4 S+ 0 0 65 0, 0.0 352,-0.2 0, 0.0 -1,-0.1 0.730 117.8 43.2 -63.2 -23.0 20.8 11.7 35.2 53 191 A T T 4 S+ 0 0 13 2,-0.1 -14,-0.2 350,-0.1 349,-0.0 0.756 131.4 16.5 -96.0 -29.6 18.9 9.5 32.8 54 192 A T T >4 S- 0 0 13 1,-0.2 3,-0.9 -16,-0.1 -4,-0.1 0.501 86.7-164.0-124.4 -8.6 17.7 6.6 35.0 55 193 A G B 3< -I 51 0B 14 -4,-2.0 -5,-1.2 1,-0.2 -4,-1.0 -0.209 56.1 -27.8 61.7-143.3 18.1 7.9 38.5 56 194 A S T 3 S+ 0 0 82 -6,-0.2 2,-0.5 -7,-0.2 -1,-0.2 0.491 108.2 92.0 -90.2 -6.8 18.1 5.6 41.6 57 195 A M < - 0 0 26 -3,-0.9 -8,-0.2 4,-0.1 -9,-0.2 -0.810 52.4-165.6-101.0 124.3 15.9 2.7 40.3 58 196 A G > - 0 0 1 -2,-0.5 4,-1.9 -11,-0.4 -11,-0.2 -0.308 45.5 -87.8 -85.3-178.7 17.3 -0.4 38.5 59 197 A L H > S+ 0 0 0 -13,-2.4 4,-2.3 -14,-0.4 5,-0.2 0.919 128.6 50.1 -61.1 -47.2 15.1 -2.8 36.6 60 198 A R H > S+ 0 0 100 -14,-0.6 4,-2.7 1,-0.2 5,-0.2 0.901 108.4 53.7 -57.0 -45.3 14.2 -4.9 39.6 61 199 A D H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 110.7 47.6 -52.7 -45.4 13.2 -1.8 41.6 62 200 A H H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.877 112.1 47.7 -67.2 -40.6 10.9 -0.8 38.7 63 201 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.881 111.7 50.5 -70.5 -37.4 9.3 -4.3 38.5 64 202 A E H X S+ 0 0 93 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.901 112.5 47.6 -60.4 -43.0 8.8 -4.4 42.3 65 203 A E H X S+ 0 0 41 -4,-2.0 4,-3.0 -5,-0.2 -2,-0.2 0.879 110.6 52.1 -66.8 -37.5 7.2 -1.0 42.0 66 204 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.944 109.9 48.3 -62.7 -48.0 5.1 -2.3 39.1 67 205 A V H X>S+ 0 0 26 -4,-2.8 4,-1.0 2,-0.2 5,-0.6 0.926 113.3 48.7 -56.2 -46.2 3.9 -5.3 41.2 68 206 A R H ><5S+ 0 0 159 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.954 111.6 47.9 -59.4 -50.9 3.1 -2.9 44.1 69 207 A Q H 3<5S+ 0 0 20 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.784 102.9 65.2 -60.0 -30.1 1.1 -0.5 41.8 70 208 A S H ><5S- 0 0 16 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.2 0.828 84.2-154.1 -64.6 -33.8 -0.8 -3.4 40.3 71 209 A G T <<5S- 0 0 67 -4,-1.0 -3,-0.1 -3,-0.9 -2,-0.1 0.746 73.2 -55.6 62.4 23.1 -2.5 -4.3 43.7 72 210 A G T 3 - 0 0 2 1,-0.1 3,-1.4 -3,-0.1 14,-0.2 -0.159 53.5 -94.0 -55.0 147.3 22.9 -2.1 20.7 85 223 A P T 3 S+ 0 0 0 0, 0.0 14,-0.2 0, 0.0 -1,-0.1 -0.434 116.8 14.0 -57.2 137.5 26.6 -2.2 19.6 86 224 A G T 3 S- 0 0 5 12,-1.8 3,-0.3 1,-0.2 13,-0.1 0.829 98.3-161.4 59.3 33.7 27.1 0.9 17.4 87 225 A R < + 0 0 5 -3,-1.4 9,-0.3 11,-0.6 -1,-0.2 -0.129 63.7 7.1 -49.8 134.7 23.8 2.2 18.7 88 226 A A S > S- 0 0 1 48,-0.6 3,-1.5 47,-0.3 -1,-0.2 0.950 76.7-175.3 58.9 58.1 22.2 5.0 16.6 89 227 A a T 3 S+ 0 0 5 -3,-0.3 65,-0.4 1,-0.3 64,-0.2 0.624 73.8 54.4 -66.4 -20.6 24.7 4.7 13.8 90 228 A A T 3 S+ 0 0 37 46,-0.2 -1,-0.3 63,-0.1 2,-0.2 0.574 113.0 40.9 -87.4 -10.8 23.4 7.6 11.7 91 229 A A < - 0 0 17 -3,-1.5 281,-0.0 -4,-0.1 283,-0.0 -0.722 60.1-147.1-131.9 176.7 23.7 10.1 14.5 92 230 A L S > S+ 0 0 89 -2,-0.2 280,-2.4 3,-0.1 3,-0.9 0.544 80.9 80.4-120.7 -15.0 25.9 11.2 17.5 93 231 A A T 3 S+ 0 0 2 1,-0.3 308,-0.5 278,-0.2 268,-0.2 0.766 106.6 27.0 -72.2 -28.8 23.4 12.4 20.1 94 232 A A T 3 S+ 0 0 17 -6,-0.2 -1,-0.3 277,-0.1 277,-0.1 -0.077 81.3 140.6-129.0 33.0 22.4 8.9 21.4 95 233 A N < - 0 0 28 -3,-0.9 2,-0.2 277,-0.1 -7,-0.1 -0.344 40.5-148.2 -59.1 157.7 25.5 6.9 20.6 96 234 A G - 0 0 18 2,-0.3 -1,-0.1 -9,-0.3 -54,-0.1 -0.518 25.0 -88.1-127.8-168.3 26.2 4.5 23.5 97 235 A E S S+ 0 0 55 -2,-0.2 2,-0.6 272,-0.1 273,-0.1 0.738 100.7 78.3 -77.3 -26.7 28.7 2.6 25.6 98 236 A L S S- 0 0 4 -14,-0.2 -12,-1.8 -15,-0.1 -11,-0.6 -0.782 73.9-146.9 -93.0 116.0 28.8 -0.4 23.4 99 237 A G > - 0 0 22 -2,-0.6 3,-1.9 -14,-0.2 -2,-0.1 -0.178 34.2 -88.2 -72.9 172.8 31.0 0.0 20.2 100 238 A P T 3 S+ 0 0 37 0, 0.0 3,-0.2 0, 0.0 62,-0.1 0.693 125.3 47.5 -54.3 -27.6 30.3 -1.6 16.8 101 239 A D T 3 S+ 0 0 109 1,-0.2 3,-0.4 2,-0.1 -2,-0.0 0.300 87.8 90.2 -99.3 8.6 32.3 -4.8 17.6 102 240 A E <> + 0 0 73 -3,-1.9 4,-2.1 1,-0.2 3,-0.5 -0.028 37.4 123.6-103.4 31.8 30.8 -5.5 21.0 103 241 A L H > S+ 0 0 28 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 74.1 59.7 -54.0 -37.8 27.8 -7.7 20.2 104 242 A D H > S+ 0 0 122 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.896 107.3 44.4 -60.1 -41.4 29.2 -10.4 22.5 105 243 A R H >>S+ 0 0 117 -3,-0.5 4,-2.6 2,-0.2 5,-0.7 0.844 107.7 58.9 -71.9 -36.5 29.0 -8.0 25.5 106 244 A Y H X>S+ 0 0 0 -4,-2.1 5,-3.2 3,-0.2 4,-0.7 0.922 112.7 41.2 -54.3 -45.1 25.5 -6.8 24.4 107 245 A K H <>S+ 0 0 55 -4,-2.2 5,-2.2 3,-0.2 -2,-0.2 0.950 124.5 32.9 -67.7 -51.9 24.4 -10.5 24.8 108 246 A S H <5S+ 0 0 61 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.835 130.3 27.6 -80.9 -38.0 26.2 -11.4 28.0 109 247 A E H <5S+ 0 0 92 -4,-2.6 -3,-0.2 -5,-0.2 -1,-0.2 0.477 132.2 26.7-109.2 -6.2 26.3 -8.2 30.0 110 248 A Y T X S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 114.2 52.2 -64.1 -32.7 21.0 -9.9 33.1 114 252 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.947 111.2 46.7 -62.5 -48.8 17.8 -8.2 31.9 115 253 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.896 109.8 55.3 -59.1 -43.2 16.3 -11.6 31.0 116 254 A D H X S+ 0 0 98 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.893 110.6 43.9 -55.0 -45.8 17.5 -13.0 34.4 117 255 A I H < S+ 0 0 6 -4,-2.0 3,-0.5 2,-0.2 4,-0.4 0.915 112.2 52.0 -70.4 -42.7 15.6 -10.2 36.3 118 256 A M H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.876 104.0 58.2 -62.1 -38.0 12.5 -10.5 34.2 119 257 A W H >< S+ 0 0 113 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.847 96.2 64.2 -57.7 -35.2 12.4 -14.3 34.8 120 258 A D T 3< S+ 0 0 86 -4,-1.1 -1,-0.3 -3,-0.5 3,-0.2 0.651 103.7 47.2 -63.5 -16.5 12.2 -13.5 38.5 121 259 A F T X S+ 0 0 2 -3,-1.6 3,-1.8 -4,-0.4 -1,-0.3 0.293 78.7 102.3-108.3 9.4 8.9 -11.8 38.0 122 260 A A T < S+ 0 0 29 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.666 71.6 68.0 -66.9 -16.9 7.4 -14.6 35.8 123 261 A D T 3 S+ 0 0 118 -3,-0.2 2,-1.0 -4,-0.2 -1,-0.3 0.494 77.6 89.2 -83.6 -4.1 5.4 -15.8 38.9 124 262 A Y X - 0 0 88 -3,-1.8 3,-1.2 1,-0.2 -1,-0.1 -0.818 61.5-169.3 -93.2 98.1 3.3 -12.6 38.8 125 263 A E T 3 S+ 0 0 181 -2,-1.0 -1,-0.2 1,-0.3 -52,-0.0 0.770 82.9 45.7 -57.1 -32.8 0.4 -13.7 36.5 126 264 A N T 3 S+ 0 0 63 -54,-0.1 -51,-2.1 -3,-0.1 2,-0.5 0.449 86.7 100.4 -99.0 -2.2 -1.0 -10.2 36.1 127 265 A L E < -c 75 0A 3 -3,-1.2 2,-0.5 -6,-0.2 -51,-0.2 -0.756 54.0-167.0 -81.6 123.6 2.3 -8.3 35.5 128 266 A R E -c 76 0A 32 -53,-2.8 -51,-2.6 -2,-0.5 2,-0.6 -0.968 5.6-160.4-113.7 127.5 2.8 -7.5 31.8 129 267 A I E -cd 77 180A 0 50,-3.0 52,-3.0 -2,-0.5 2,-0.7 -0.921 1.4-161.8-107.1 113.4 6.2 -6.4 30.5 130 268 A V E -cd 78 181A 0 -53,-3.0 -51,-3.2 -2,-0.6 2,-0.7 -0.879 10.3-158.2 -92.7 113.8 6.1 -4.6 27.1 131 269 A A E -cd 79 182A 0 50,-1.8 52,-2.6 -2,-0.7 2,-0.7 -0.873 3.1-155.1 -96.3 115.5 9.7 -4.7 25.8 132 270 A I E -cd 80 183A 0 -53,-2.5 -51,-2.9 -2,-0.7 2,-0.8 -0.831 21.9-138.1 -90.2 112.8 10.3 -2.0 23.2 133 271 A I E -cd 81 184A 2 50,-3.1 52,-1.4 -2,-0.7 -51,-0.1 -0.658 50.5 -41.9 -92.5 107.1 13.2 -3.3 21.1 134 272 A E > - 0 0 1 -53,-2.6 3,-0.5 -2,-0.8 4,-0.4 0.922 60.4-143.9 53.3 76.4 16.0 -1.1 20.0 135 273 A I T 3 S+ 0 0 11 -54,-0.4 -47,-0.3 -3,-0.2 -1,-0.1 -0.275 79.6 16.4 -57.1 145.9 14.8 2.3 18.8 136 274 A D T 3 S+ 0 0 34 1,-0.1 -48,-0.6 90,-0.1 -47,-0.3 0.884 102.2 101.6 58.3 46.8 16.7 3.9 15.9 137 275 A S S X S+ 0 0 4 -3,-0.5 3,-1.6 -49,-0.1 4,-0.5 0.506 70.8 30.8-120.6 -90.9 18.4 0.8 14.8 138 276 A L T > S+ 0 0 1 -4,-0.4 3,-1.8 1,-0.3 4,-0.5 0.781 110.5 61.4 -50.7 -43.0 17.3 -1.4 11.8 139 277 A P T >> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-1.4 0.829 95.4 65.2 -57.3 -30.2 15.8 1.4 9.6 140 278 A N H <> S+ 0 0 3 -3,-1.6 4,-2.2 1,-0.3 -2,-0.2 0.771 93.6 59.9 -56.3 -30.8 19.3 3.0 9.5 141 279 A L H <4 S+ 0 0 7 -3,-1.8 -1,-0.3 -4,-0.5 -3,-0.1 0.649 110.6 41.7 -77.2 -15.2 20.6 -0.0 7.6 142 280 A V H <4 S+ 0 0 34 -3,-1.4 3,-0.3 -4,-0.5 -2,-0.2 0.842 128.3 25.6 -88.7 -47.7 18.0 0.8 4.9 143 281 A T H < S+ 0 0 18 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.611 123.4 45.2-100.2 -14.4 18.4 4.6 4.7 144 282 A N S < S+ 0 0 13 -4,-2.2 7,-2.4 -5,-0.3 2,-0.4 0.075 88.4 94.0-123.3 25.1 22.0 5.3 5.9 145 283 A V S S- 0 0 44 -3,-0.3 3,-0.1 5,-0.2 7,-0.1 -0.973 90.3 -31.9-119.1 128.0 24.1 2.6 4.1 146 284 A G S S+ 0 0 48 -2,-0.4 4,-0.4 5,-0.2 9,-0.0 -0.190 98.2 78.1 66.5-156.1 25.9 3.3 0.8 147 285 A G S S- 0 0 80 2,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.284 104.4 -41.0 54.0-136.7 24.5 5.7 -1.8 148 286 A N S S+ 0 0 153 1,-0.1 3,-0.1 -3,-0.1 -3,-0.1 -0.986 123.3 21.6-122.7 136.4 25.3 9.3 -0.8 149 287 A G S S+ 0 0 48 -2,-0.4 237,-0.1 1,-0.2 -1,-0.1 0.583 88.1 125.3 90.9 12.2 25.0 10.7 2.7 150 288 A G - 0 0 29 -4,-0.4 2,-0.4 -3,-0.1 -1,-0.2 -0.182 57.0-113.0 -86.2-176.2 25.2 7.5 4.6 151 289 A T > - 0 0 45 -7,-2.4 4,-2.0 1,-0.1 -5,-0.2 -0.955 6.6-135.2-123.3 147.7 27.6 6.6 7.4 152 290 A E H > S+ 0 0 144 -2,-0.4 4,-2.7 2,-0.2 5,-0.2 0.843 107.8 59.5 -61.9 -34.5 30.5 4.1 7.5 153 291 A L H > S+ 0 0 44 -64,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.955 107.1 44.3 -61.2 -49.6 29.2 3.0 11.0 154 292 A a H > S+ 0 0 0 -65,-0.4 4,-2.0 -10,-0.2 -1,-0.2 0.894 113.0 52.6 -60.1 -41.8 25.8 2.0 9.6 155 293 A A H X S+ 0 0 34 -4,-2.0 4,-2.2 -11,-0.3 -1,-0.2 0.910 111.9 46.1 -57.3 -44.4 27.5 0.3 6.7 156 294 A Y H X S+ 0 0 60 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.898 109.1 53.8 -66.9 -43.2 29.7 -1.7 9.1 157 295 A M H X S+ 0 0 0 -4,-2.8 6,-0.8 1,-0.2 4,-0.6 0.818 111.6 46.3 -63.0 -33.2 26.7 -2.5 11.4 158 296 A K H < S+ 0 0 118 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.915 114.4 48.5 -68.5 -45.4 24.9 -4.0 8.3 159 297 A Q H < S+ 0 0 155 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.911 115.7 40.8 -63.7 -46.5 28.1 -5.9 7.2 160 298 A N H < S- 0 0 55 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.561 102.3-128.8 -84.9 -8.0 28.9 -7.4 10.7 161 299 A G X + 0 0 14 -4,-0.6 4,-3.4 -3,-0.3 5,-0.4 0.494 62.9 137.4 78.9 4.3 25.2 -8.3 11.4 162 300 A G H > S+ 0 0 1 -5,-0.3 4,-1.6 -6,-0.3 5,-0.2 0.820 72.3 41.2 -53.7 -42.0 25.4 -6.6 14.9 163 301 A Y H > S+ 0 0 0 -6,-0.8 4,-2.7 2,-0.2 5,-0.2 0.957 119.1 44.5 -70.7 -52.3 22.0 -4.9 14.6 164 302 A V H > S+ 0 0 10 -7,-0.3 4,-2.1 1,-0.2 47,-0.2 0.923 120.9 39.7 -58.9 -48.7 20.1 -7.8 13.0 165 303 A N H X S+ 0 0 56 -4,-3.4 4,-1.9 2,-0.2 -1,-0.2 0.829 114.6 52.9 -71.7 -34.8 21.7 -10.4 15.4 166 304 A G H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.4 -2,-0.2 0.922 111.7 46.0 -66.3 -45.4 21.4 -8.2 18.4 167 305 A V H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.933 112.4 49.8 -62.0 -47.8 17.7 -7.6 17.8 168 306 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.874 110.9 51.2 -59.9 -37.0 17.0 -11.3 17.2 169 307 A Y H X S+ 0 0 28 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.915 110.8 46.6 -67.7 -45.8 18.8 -12.1 20.4 170 308 A A H X>S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.5 0.913 111.6 53.6 -57.3 -44.6 16.8 -9.6 22.4 171 309 A L H X5S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.923 114.9 38.6 -60.7 -48.0 13.6 -11.0 20.8 172 310 A R H X5S+ 0 0 67 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.955 117.2 48.6 -65.7 -53.5 14.3 -14.6 21.7 173 311 A K H <5S+ 0 0 37 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.846 125.4 29.3 -59.7 -38.5 15.8 -14.0 25.2 174 312 A L H ><5S+ 0 0 0 -4,-2.4 3,-1.5 -5,-0.2 6,-0.2 0.851 115.9 59.9 -89.6 -37.2 12.9 -11.7 26.3 175 313 A G H 3<> - 0 0 11 36,-0.3 4,-2.3 37,-0.1 3,-1.8 -0.937 35.1 -91.5-153.5 171.8 8.1 6.8 11.4 189 327 A H H 3> S+ 0 0 6 1,-0.3 4,-1.4 -2,-0.3 70,-0.2 0.824 121.3 58.0 -60.8 -33.5 6.4 7.8 8.2 190 328 A G H 34 S+ 0 0 7 2,-0.2 -1,-0.3 1,-0.1 -3,-0.1 0.248 114.9 39.2 -82.7 12.8 8.8 10.8 7.6 191 329 A W H <4 S+ 0 0 51 -3,-1.8 3,-0.2 133,-0.0 -2,-0.2 0.613 135.4 9.3-118.6 -58.9 11.6 8.2 7.7 192 330 A I H < S+ 0 0 0 -4,-2.3 -3,-0.2 -6,-0.2 -2,-0.2 0.149 93.9 105.4-117.9 17.2 10.5 5.1 5.8 193 331 A G < + 0 0 0 -4,-1.4 65,-0.5 -5,-0.3 -1,-0.1 0.778 60.3 93.7 -67.7 -29.1 7.2 6.3 4.3 194 332 A W S >> S- 0 0 52 -3,-0.2 4,-2.5 -5,-0.2 3,-1.3 -0.304 87.0-115.9 -67.6 150.0 8.7 6.5 0.8 195 333 A D H 3> S+ 0 0 123 61,-0.4 4,-0.8 1,-0.3 -1,-0.1 0.849 114.2 55.7 -48.5 -44.8 8.5 3.7 -1.7 196 334 A S H 34 S+ 0 0 87 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.723 118.6 31.9 -65.1 -24.6 12.3 3.3 -1.7 197 335 A N H <> S+ 0 0 29 -3,-1.3 4,-2.0 3,-0.1 -2,-0.2 0.737 105.3 70.0-103.1 -32.2 12.5 2.7 2.1 198 336 A F H X S+ 0 0 24 -4,-2.5 4,-2.2 2,-0.2 3,-0.2 0.952 102.1 39.3 -58.9 -63.5 9.2 1.0 2.9 199 337 A G H X S+ 0 0 31 -4,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.895 115.9 51.3 -57.0 -48.0 9.6 -2.5 1.4 200 338 A P H > S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.851 108.4 53.0 -60.3 -33.5 13.3 -2.8 2.4 201 339 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.2 5,-0.2 0.953 107.1 51.7 -63.4 -48.9 12.4 -1.8 6.0 202 340 A V H X S+ 0 0 7 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.928 110.3 50.3 -49.1 -47.9 9.8 -4.6 6.0 203 341 A D H X S+ 0 0 78 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.895 110.4 47.2 -60.6 -44.3 12.5 -7.1 4.8 204 342 A I H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.848 109.3 53.9 -71.1 -33.1 15.1 -6.1 7.5 205 343 A F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.915 111.2 47.0 -60.7 -44.0 12.5 -6.4 10.2 206 344 A Y H X S+ 0 0 80 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.916 110.4 52.7 -64.5 -44.2 11.7 -9.9 9.0 207 345 A E H >< S+ 0 0 107 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.925 110.8 46.5 -56.6 -47.4 15.4 -10.7 8.8 208 346 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.883 106.5 58.1 -65.0 -39.7 16.0 -9.6 12.5 209 347 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 9,-0.2 0.674 112.3 42.8 -61.9 -17.2 12.9 -11.5 13.7 210 348 A N T << S+ 0 0 72 -3,-0.9 3,-0.4 -4,-0.7 -1,-0.2 0.307 97.1 98.2-112.2 7.4 14.6 -14.7 12.2 211 349 A A S X S+ 0 0 11 -3,-1.4 3,-2.0 -47,-0.2 -46,-0.0 -0.603 80.5 15.5 -95.2 154.7 18.1 -14.0 13.5 212 350 A S T 3 S- 0 0 32 1,-0.3 -1,-0.2 -2,-0.2 -40,-0.1 0.769 136.0 -50.7 57.5 33.1 19.9 -15.4 16.6 213 351 A G T 3 S+ 0 0 55 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.429 106.2 132.7 88.3 -0.2 17.3 -18.2 17.1 214 352 A S < - 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