==== 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 4AVO . COMPND 2 MOLECULE: BETA-1,4-EXOCELLULASE; . 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) . 15631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 61.0 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 . 26 6.2 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 . 96 22.9 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 2 0 1 1 3 2 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 0 241 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -29.2 -1.1 -23.0 25.7 2 140 A K - 0 0 67 1,-0.1 177,-0.1 2,-0.1 179,-0.0 -0.459 360.0 -94.4 -64.3 144.5 0.2 -19.5 25.9 3 141 A V - 0 0 50 1,-0.1 -1,-0.1 -2,-0.1 5,-0.0 -0.253 26.0-120.9 -64.0 152.2 -2.7 -17.0 25.6 4 142 A D S S+ 0 0 96 1,-0.3 -1,-0.1 -3,-0.1 279,-0.1 0.924 104.0 17.6 -56.3 -48.0 -3.5 -15.6 22.2 5 143 A N > - 0 0 7 1,-0.1 3,-1.4 3,-0.1 -1,-0.3 -0.951 67.6-159.8-132.5 108.2 -2.9 -12.0 23.4 6 144 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 122,-0.1 0.697 93.3 57.5 -65.2 -17.4 -0.9 -11.5 26.6 7 145 A F T > S+ 0 0 3 2,-0.1 3,-1.4 332,-0.1 2,-0.2 0.713 84.6 104.2 -80.8 -19.6 -2.3 -8.0 27.1 8 146 A E T < S- 0 0 112 -3,-1.4 3,-0.1 1,-0.3 -3,-0.1 -0.444 96.0 -4.4 -71.5 125.3 -5.9 -9.3 27.1 9 147 A G T 3 S+ 0 0 70 -2,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.627 108.3 124.4 70.6 16.8 -7.5 -9.5 30.5 10 148 A A < - 0 0 20 -3,-1.4 65,-0.3 63,-0.1 -1,-0.2 -0.850 62.9-126.8-116.5 142.6 -4.3 -8.4 32.3 11 149 A K E -a 75 0A 113 63,-2.6 65,-2.8 -2,-0.4 2,-0.4 -0.484 37.8-124.0 -66.3 152.8 -3.3 -5.7 34.6 12 150 A L E -a 76 0A 44 63,-0.2 65,-0.2 -2,-0.1 -5,-0.0 -0.909 21.2-107.9-111.8 134.1 -0.3 -3.8 33.3 13 151 A Y - 0 0 0 63,-2.6 2,-0.6 -2,-0.4 23,-0.5 -0.261 22.8-151.8 -56.0 131.8 3.0 -3.4 35.1 14 152 A V - 0 0 18 21,-0.2 21,-0.1 51,-0.1 55,-0.1 -0.955 14.7-138.6-105.2 118.8 3.9 0.0 36.5 15 153 A N > - 0 0 11 -2,-0.6 4,-2.9 19,-0.3 5,-0.2 -0.674 7.9-157.1 -76.6 111.7 7.6 0.5 36.6 16 154 A P H > S+ 0 0 39 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.815 90.5 57.6 -62.2 -31.2 8.3 2.3 40.0 17 155 A V H > S+ 0 0 25 2,-0.2 4,-1.1 1,-0.2 38,-0.1 0.950 114.6 36.5 -63.3 -49.7 11.7 3.7 38.7 18 156 A W H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.890 112.7 59.5 -67.8 -43.2 10.0 5.4 35.7 19 157 A S H X S+ 0 0 29 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.882 104.9 49.6 -53.7 -42.8 6.9 6.3 37.8 20 158 A A H X S+ 0 0 64 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.866 111.0 49.3 -67.2 -37.1 9.0 8.3 40.3 21 159 A K H < S+ 0 0 51 -4,-1.1 4,-0.3 2,-0.2 -2,-0.2 0.896 113.5 46.0 -68.9 -41.9 10.8 10.2 37.5 22 160 A A H >< S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.924 110.6 52.9 -64.4 -45.6 7.5 11.1 35.8 23 161 A A H 3< S+ 0 0 52 -4,-2.5 6,-0.3 1,-0.3 -1,-0.2 0.720 100.1 62.9 -65.9 -23.0 5.8 12.2 39.1 24 162 A A T 3< S+ 0 0 84 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.580 89.9 85.5 -79.1 -11.5 8.7 14.5 39.9 25 163 A E S X S- 0 0 21 -3,-1.5 3,-2.3 -4,-0.3 4,-0.4 -0.661 98.8 -91.0 -88.9 147.7 7.9 16.6 36.8 26 164 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.419 115.2 1.0 -58.8 120.6 5.2 19.4 36.8 27 165 A G T > S+ 0 0 48 -2,-0.2 3,-1.5 -4,-0.2 4,-0.2 0.354 98.2 122.7 81.5 -3.9 1.9 17.7 35.8 28 166 A G G X> + 0 0 0 -3,-2.3 3,-1.9 1,-0.3 4,-1.0 0.710 53.3 76.1 -64.3 -24.4 3.7 14.4 35.6 29 167 A S G 34 S+ 0 0 96 -4,-0.4 4,-0.4 -6,-0.3 -1,-0.3 0.770 80.7 73.9 -57.5 -26.6 1.4 12.7 38.1 30 168 A A G <4 S+ 0 0 59 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.735 114.1 20.4 -59.5 -25.5 -1.2 12.6 35.3 31 169 A V T X4 S+ 0 0 0 -3,-1.9 3,-2.1 -4,-0.2 -1,-0.2 0.379 92.8 103.9-123.5 0.8 0.8 9.8 33.6 32 170 A A T 3< S+ 0 0 9 -4,-1.0 -9,-0.1 1,-0.3 -2,-0.1 0.684 81.8 53.2 -61.6 -20.0 2.9 8.4 36.4 33 171 A N T 3 S+ 0 0 127 -4,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.239 84.5 113.3-100.3 11.7 0.6 5.3 36.8 34 172 A E S < S- 0 0 57 -3,-2.1 2,-0.4 1,-0.1 -19,-0.3 -0.534 73.6-106.0 -80.1 152.5 0.9 4.3 33.1 35 173 A S + 0 0 6 -2,-0.2 316,-0.5 -21,-0.1 2,-0.3 -0.659 40.6 176.7 -83.4 127.5 2.6 1.1 32.1 36 174 A T - 0 0 1 -23,-0.5 42,-0.3 -2,-0.4 316,-0.2 -0.941 31.5-104.6-127.4 151.1 6.0 1.3 30.5 37 175 A A - 0 0 1 314,-1.5 2,-0.6 -2,-0.3 42,-0.2 -0.402 27.6-127.5 -73.4 149.8 8.5 -1.4 29.3 38 176 A V E -b 79 0A 8 40,-3.0 42,-2.9 -2,-0.1 2,-0.4 -0.882 23.7-145.4-101.1 122.1 11.6 -2.2 31.3 39 177 A W E -b 80 0A 33 -2,-0.6 2,-0.9 40,-0.2 42,-0.1 -0.740 12.9-159.4 -96.2 131.3 14.8 -2.1 29.3 40 178 A L E +b 81 0A 3 40,-2.6 42,-1.1 -2,-0.4 6,-0.1 -0.739 29.2 160.1-101.4 80.5 17.7 -4.4 29.9 41 179 A D + 0 0 10 -2,-0.9 2,-0.3 40,-0.1 -1,-0.1 0.457 60.0 23.5 -87.1 -3.7 20.2 -2.2 28.1 42 180 A R S > S- 0 0 52 -3,-0.1 3,-0.9 1,-0.1 4,-0.3 -0.972 79.6-110.3-152.3 159.4 23.4 -3.7 29.7 43 181 A I T >> S+ 0 0 36 -2,-0.3 3,-1.9 1,-0.2 4,-0.6 0.907 119.5 61.0 -57.1 -41.2 24.5 -6.9 31.3 44 182 A G H 3> S+ 0 0 28 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.721 91.2 66.7 -58.0 -25.0 24.6 -4.8 34.5 45 183 A A H <4 S+ 0 0 1 -3,-0.9 14,-0.3 2,-0.2 -1,-0.3 0.651 88.8 68.6 -71.5 -15.2 20.9 -4.1 34.2 46 184 A I H <4 S+ 0 0 6 -3,-1.9 13,-2.5 -4,-0.3 14,-0.6 0.968 116.2 21.0 -70.2 -52.6 20.2 -7.8 34.8 47 185 A E H < S- 0 0 143 -4,-0.6 11,-0.4 11,-0.2 -2,-0.2 0.716 127.2 -94.2 -82.4 -23.7 21.3 -7.8 38.5 48 186 A G < - 0 0 24 -4,-1.8 -3,-0.2 9,-0.2 10,-0.2 0.163 37.2-165.9 107.3 129.6 20.8 -4.1 38.8 49 187 A N - 0 0 46 6,-0.7 7,-0.2 8,-0.2 -4,-0.1 0.272 35.9-121.5-132.5 7.4 23.6 -1.5 38.3 50 188 A D + 0 0 124 5,-1.2 6,-0.2 1,-0.1 -5,-0.1 0.806 58.2 161.3 51.5 36.4 22.2 1.8 39.8 51 189 A S B > -I 55 0B 19 4,-0.8 4,-2.2 1,-0.1 -1,-0.1 -0.336 56.4-110.8 -84.6 164.3 22.6 3.4 36.4 52 190 A P T 4 S+ 0 0 66 0, 0.0 352,-0.3 0, 0.0 -1,-0.1 0.756 118.2 43.8 -60.9 -25.8 21.0 6.6 35.0 53 191 A T T 4 S+ 0 0 12 2,-0.1 -14,-0.2 350,-0.1 349,-0.0 0.739 129.8 18.4 -94.1 -27.9 19.0 4.4 32.5 54 192 A T T >4 S- 0 0 15 1,-0.2 3,-0.9 -16,-0.1 -4,-0.1 0.486 86.7-162.1-125.5 -7.1 17.9 1.5 34.7 55 193 A G B 3< -I 51 0B 15 -4,-2.2 -5,-1.2 1,-0.2 -4,-0.8 -0.172 54.5 -30.4 59.9-146.0 18.2 2.8 38.3 56 194 A S T 3 S+ 0 0 80 -6,-0.2 2,-0.5 -7,-0.2 -1,-0.2 0.352 107.0 92.6 -95.6 3.6 18.3 0.4 41.3 57 195 A M < - 0 0 41 -3,-0.9 -9,-0.2 4,-0.1 -8,-0.2 -0.879 53.4-162.9-107.4 124.5 16.1 -2.5 40.1 58 196 A G > - 0 0 1 -2,-0.5 4,-2.0 -11,-0.4 -11,-0.2 -0.283 44.3 -88.4 -86.2-178.5 17.5 -5.6 38.4 59 197 A L H > S+ 0 0 0 -13,-2.5 4,-2.5 -14,-0.3 5,-0.2 0.924 129.1 49.9 -60.4 -46.6 15.3 -8.0 36.4 60 198 A R H > S+ 0 0 92 -14,-0.6 4,-2.8 1,-0.2 5,-0.2 0.910 108.1 54.4 -58.7 -43.8 14.4 -10.1 39.5 61 199 A D H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 110.7 46.5 -54.4 -46.1 13.4 -6.9 41.4 62 200 A H H X S+ 0 0 6 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.895 112.6 48.0 -64.6 -43.6 11.1 -6.0 38.5 63 201 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.886 112.0 49.8 -67.9 -37.8 9.5 -9.5 38.3 64 202 A E H X S+ 0 0 106 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.899 112.4 48.2 -63.3 -40.5 9.0 -9.6 42.0 65 203 A E H X S+ 0 0 38 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.882 109.9 52.7 -66.1 -38.3 7.4 -6.2 41.9 66 204 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.927 109.0 49.0 -61.8 -46.7 5.2 -7.4 38.9 67 205 A V H X>S+ 0 0 31 -4,-2.5 4,-0.9 2,-0.2 5,-0.5 0.913 112.5 49.3 -56.1 -45.3 4.1 -10.5 41.0 68 206 A R H ><5S+ 0 0 160 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.929 111.1 48.2 -61.1 -47.9 3.3 -8.1 43.9 69 207 A Q H 3<5S+ 0 0 24 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.774 102.2 65.8 -63.8 -27.5 1.3 -5.7 41.7 70 208 A S H ><5S- 0 0 12 -4,-1.7 3,-1.8 -5,-0.2 -1,-0.2 0.812 83.9-152.2 -65.9 -32.3 -0.6 -8.7 40.2 71 209 A G T <<5S- 0 0 70 -4,-0.9 -3,-0.1 -3,-0.8 -1,-0.1 0.647 72.9 -59.4 64.0 15.5 -2.4 -9.5 43.5 72 210 A G T 3 - 0 0 1 1,-0.1 3,-1.4 -3,-0.1 14,-0.3 -0.191 54.4 -92.4 -59.9 151.8 23.2 -7.3 20.7 85 223 A P T 3 S+ 0 0 0 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.488 118.2 13.1 -56.6 134.9 26.8 -7.4 19.6 86 224 A G T 3 S- 0 0 6 12,-2.1 3,-0.4 1,-0.1 13,-0.1 0.834 96.5-167.1 62.2 35.3 27.3 -4.2 17.5 87 225 A R < + 0 0 6 -3,-1.4 9,-0.3 11,-0.6 -1,-0.1 -0.180 63.2 15.4 -56.1 141.8 24.0 -2.8 18.7 88 226 A D S > S+ 0 0 19 48,-0.4 3,-1.9 47,-0.3 -1,-0.2 0.928 76.5 179.3 64.2 49.9 22.5 0.2 16.8 89 227 A a T 3 S+ 0 0 5 -3,-0.4 65,-0.4 47,-0.3 64,-0.3 0.671 71.5 51.9 -65.3 -22.1 24.8 -0.3 13.9 90 228 A A T 3 S+ 0 0 36 46,-0.2 -1,-0.3 63,-0.1 2,-0.2 0.319 115.7 37.9 -95.7 7.9 23.6 2.6 11.7 91 229 A A < - 0 0 13 -3,-1.9 283,-0.0 -4,-0.1 60,-0.0 -0.801 62.3-142.5-144.1-178.6 23.9 5.1 14.5 92 230 A L S > S+ 0 0 81 -2,-0.2 280,-2.8 280,-0.1 3,-1.3 0.603 81.3 81.2-120.5 -25.9 26.1 6.1 17.5 93 231 A A T 3 S+ 0 0 2 1,-0.3 308,-0.5 278,-0.2 268,-0.2 0.742 106.8 26.2 -65.0 -28.4 23.7 7.3 20.2 94 232 A S T 3 S+ 0 0 18 -6,-0.2 -1,-0.3 277,-0.1 277,-0.1 -0.041 79.5 139.8-129.9 33.0 22.8 3.8 21.5 95 233 A N < - 0 0 31 -3,-1.3 2,-0.2 -7,-0.1 -7,-0.1 -0.359 42.2-150.1 -56.8 156.9 25.9 1.7 20.5 96 234 A G - 0 0 18 -9,-0.3 -1,-0.1 2,-0.3 -54,-0.1 -0.479 24.4 -84.1-129.8-163.9 26.5 -0.6 23.5 97 235 A E S S+ 0 0 53 -2,-0.2 2,-0.6 272,-0.1 273,-0.1 0.711 100.9 76.0 -81.4 -24.2 29.0 -2.5 25.6 98 236 A L S S- 0 0 5 -14,-0.3 -12,-2.1 -15,-0.0 -11,-0.6 -0.825 74.9-144.9 -95.9 119.8 29.2 -5.6 23.4 99 237 A G > - 0 0 23 -2,-0.6 3,-2.1 -14,-0.3 -2,-0.1 -0.200 33.8 -89.2 -76.0 172.9 31.2 -5.2 20.2 100 238 A P T 3 S+ 0 0 38 0, 0.0 3,-0.3 0, 0.0 62,-0.1 0.725 125.3 49.2 -56.6 -27.4 30.5 -6.8 16.8 101 239 A D T 3 S+ 0 0 112 1,-0.2 3,-0.4 2,-0.1 -2,-0.0 0.275 87.3 90.4 -97.0 11.2 32.5 -9.9 17.6 102 240 A E <> + 0 0 73 -3,-2.1 4,-2.1 1,-0.2 3,-0.3 -0.018 36.8 123.5-105.9 32.7 30.9 -10.6 21.0 103 241 A L H > S+ 0 0 27 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.859 75.4 58.2 -55.3 -38.1 28.0 -12.9 20.1 104 242 A D H > S+ 0 0 126 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.912 107.8 45.5 -60.4 -42.1 29.4 -15.6 22.5 105 243 A R H >>S+ 0 0 120 -3,-0.3 4,-2.5 2,-0.2 5,-0.6 0.860 108.8 56.6 -68.9 -37.9 29.2 -13.1 25.4 106 244 A Y H X>S+ 0 0 0 -4,-2.1 5,-3.0 3,-0.2 4,-0.8 0.926 112.8 42.7 -55.2 -45.5 25.7 -12.0 24.4 107 245 A K H <>S+ 0 0 54 -4,-2.3 5,-2.4 3,-0.2 -2,-0.2 0.962 124.5 30.8 -66.9 -52.0 24.6 -15.6 24.7 108 246 A S H <5S+ 0 0 51 -4,-2.5 -3,-0.2 3,-0.2 -2,-0.2 0.803 129.9 30.3 -85.5 -32.4 26.4 -16.6 27.9 109 247 A E H <5S+ 0 0 90 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.2 0.505 131.9 24.5-108.8 -7.7 26.5 -13.4 29.9 110 248 A Y T X S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.880 113.2 53.0 -66.1 -34.5 21.2 -15.1 32.9 114 252 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.940 111.4 46.5 -58.9 -47.5 18.0 -13.4 31.7 115 253 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.904 110.0 54.0 -60.4 -43.5 16.5 -16.8 30.9 116 254 A D H X S+ 0 0 96 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.892 111.4 44.8 -58.3 -44.4 17.7 -18.2 34.2 117 255 A I H >< S+ 0 0 7 -4,-2.2 3,-0.6 2,-0.2 4,-0.4 0.931 112.6 49.9 -67.5 -45.5 15.9 -15.4 36.1 118 256 A M H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.872 104.1 60.2 -63.8 -36.2 12.7 -15.7 34.1 119 257 A W H >< S+ 0 0 110 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.852 95.4 63.6 -55.2 -36.4 12.6 -19.4 34.6 120 258 A D T << S+ 0 0 85 -4,-1.0 3,-0.3 -3,-0.6 -1,-0.3 0.648 102.7 48.9 -64.2 -17.4 12.4 -18.7 38.4 121 259 A F T X S+ 0 0 8 -3,-1.6 3,-2.0 -4,-0.4 -1,-0.3 0.317 78.1 101.5-104.7 7.0 9.0 -17.1 37.8 122 260 A A T < S+ 0 0 30 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.728 72.9 66.6 -62.8 -22.1 7.6 -19.9 35.7 123 261 A D T 3 S+ 0 0 111 -3,-0.3 2,-1.0 -4,-0.2 -1,-0.3 0.499 80.1 85.3 -81.1 -3.4 5.6 -21.0 38.8 124 262 A Y X - 0 0 98 -3,-2.0 3,-1.3 1,-0.2 -1,-0.1 -0.809 61.9-173.2 -96.2 93.0 3.6 -17.8 38.7 125 263 A E T 3 S+ 0 0 152 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.713 80.0 50.6 -60.2 -25.7 0.8 -18.9 36.3 126 264 A N T 3 S+ 0 0 53 -3,-0.1 -51,-2.3 -52,-0.1 2,-0.5 0.549 86.9 96.4 -96.1 -4.8 -0.7 -15.4 36.1 127 265 A L E < -c 75 0A 2 -3,-1.3 2,-0.5 -6,-0.2 -51,-0.2 -0.717 55.4-167.9 -83.4 127.2 2.5 -13.5 35.4 128 266 A R E -c 76 0A 31 -53,-2.9 -51,-2.5 -2,-0.5 2,-0.6 -0.976 5.3-159.5-118.0 126.4 3.0 -12.8 31.7 129 267 A I E -cd 77 180A 0 50,-3.3 52,-3.0 -2,-0.5 2,-0.7 -0.911 2.3-159.5-107.5 114.3 6.4 -11.5 30.4 130 268 A V E -cd 78 181A 0 -53,-3.3 -51,-3.1 -2,-0.6 2,-0.7 -0.859 10.4-157.9 -92.4 114.5 6.3 -9.8 27.1 131 269 A A E -cd 79 182A 0 50,-2.0 52,-2.7 -2,-0.7 2,-0.7 -0.867 1.9-156.4 -98.4 114.3 9.8 -9.9 25.7 132 270 A I E -cd 80 183A 0 -53,-2.6 -51,-2.9 -2,-0.7 2,-0.8 -0.828 20.4-137.5 -90.5 115.4 10.5 -7.2 23.1 133 271 A I E -cd 81 184A 2 50,-3.1 52,-1.6 -2,-0.7 -51,-0.1 -0.688 49.8 -43.9 -94.6 106.8 13.4 -8.5 21.0 134 272 A E > - 0 0 1 -53,-2.6 3,-0.7 -2,-0.8 4,-0.4 0.903 60.1-137.1 53.9 78.0 16.2 -6.2 19.9 135 273 A I T 3 S+ 0 0 12 -54,-0.3 -47,-0.3 1,-0.2 -1,-0.1 -0.255 81.4 8.7 -58.8 141.8 15.0 -2.8 18.7 136 274 A A T 3 S+ 0 0 14 1,-0.1 -48,-0.4 -49,-0.1 -47,-0.3 0.870 102.0 105.8 53.6 45.1 16.7 -1.3 15.5 137 275 A S S X> S+ 0 0 5 -3,-0.7 3,-1.7 -49,-0.1 4,-0.6 0.629 73.0 31.5-111.6 -84.2 18.6 -4.5 14.7 138 276 A L H >> S+ 0 0 2 -4,-0.4 3,-1.7 1,-0.3 4,-0.5 0.826 112.5 60.7 -51.1 -43.2 17.4 -6.6 11.8 139 277 A P H >> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.9 0.776 96.5 63.2 -58.9 -27.0 16.0 -3.7 9.7 140 278 A N H <> S+ 0 0 4 -3,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.764 93.5 61.4 -63.8 -28.4 19.5 -2.2 9.5 141 279 A L H << S+ 0 0 9 -3,-1.7 -1,-0.2 -4,-0.6 -3,-0.1 0.677 110.7 41.0 -74.0 -17.5 20.7 -5.3 7.6 142 280 A V H << S+ 0 0 34 -3,-0.9 -2,-0.2 -4,-0.5 3,-0.2 0.836 127.0 28.5 -88.4 -44.8 18.2 -4.4 4.9 143 281 A T H < S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.589 123.4 41.4-101.6 -13.4 18.7 -0.6 4.8 144 282 A N S < S+ 0 0 18 -4,-2.2 7,-2.5 -5,-0.2 2,-0.4 0.100 88.5 95.4-128.3 23.6 22.2 0.1 5.9 145 283 A V S S- 0 0 43 -3,-0.2 3,-0.1 5,-0.2 7,-0.1 -0.966 91.3 -31.8-116.6 129.1 24.3 -2.6 4.2 146 284 A G S > S+ 0 0 50 -2,-0.4 4,-0.6 5,-0.2 9,-0.0 -0.175 100.6 76.4 63.3-155.6 26.0 -2.0 0.9 147 285 A G T 4 S- 0 0 78 2,-0.1 2,-0.4 3,-0.0 -1,-0.1 -0.242 103.1 -45.5 53.8-136.5 24.6 0.4 -1.7 148 286 A N T 4 S+ 0 0 154 -3,-0.1 3,-0.1 1,-0.1 -3,-0.1 -0.982 118.2 23.2-125.5 143.5 25.3 4.0 -0.7 149 287 A G T 4 S+ 0 0 56 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.436 89.2 113.1 92.6 1.6 24.8 5.6 2.7 150 288 A G < - 0 0 29 -4,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.038 63.0-103.4 -86.3-161.8 25.0 2.5 4.9 151 289 A T > - 0 0 44 -7,-2.5 4,-1.8 1,-0.1 -5,-0.2 -0.961 7.6-132.0-130.7 151.1 27.6 1.6 7.5 152 290 A E H > S+ 0 0 171 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.847 109.1 58.2 -61.9 -37.5 30.6 -0.8 7.7 153 291 A L H > S+ 0 0 51 -64,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.924 106.7 46.5 -60.8 -45.7 29.4 -2.0 11.1 154 292 A a H > S+ 0 0 0 -65,-0.4 4,-1.9 -10,-0.2 -1,-0.2 0.900 110.8 52.9 -64.0 -41.1 26.0 -3.1 9.7 155 293 A A H X S+ 0 0 29 -4,-1.8 4,-2.7 -11,-0.3 -1,-0.2 0.930 111.0 47.6 -57.4 -45.6 27.7 -4.8 6.7 156 294 A Y H X S+ 0 0 82 -4,-2.3 4,-3.1 1,-0.2 6,-0.3 0.879 108.5 53.7 -64.3 -40.2 29.8 -6.7 9.2 157 295 A M H < S+ 0 0 0 -4,-2.3 6,-0.8 2,-0.2 4,-0.5 0.823 112.0 45.3 -67.0 -31.0 26.8 -7.7 11.4 158 296 A K H >< S+ 0 0 106 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.933 115.0 48.6 -70.6 -48.0 25.1 -9.1 8.3 159 297 A Q H 3< S+ 0 0 159 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.898 116.1 40.7 -58.4 -46.3 28.3 -10.9 7.2 160 298 A N T 3< S- 0 0 53 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.484 102.4-127.7 -88.2 -2.4 29.1 -12.5 10.6 161 299 A G <> + 0 0 15 -3,-0.7 4,-3.3 -4,-0.5 5,-0.4 0.536 64.0 137.1 71.5 8.9 25.5 -13.4 11.4 162 300 A G H > S+ 0 0 2 -5,-0.4 4,-1.6 -6,-0.3 5,-0.2 0.862 72.6 39.4 -56.1 -44.2 25.6 -11.7 14.8 163 301 A Y H > S+ 0 0 1 -6,-0.8 4,-2.6 2,-0.2 5,-0.2 0.954 119.7 45.1 -71.9 -51.3 22.2 -10.0 14.6 164 302 A V H > S+ 0 0 10 -7,-0.4 4,-2.2 1,-0.2 47,-0.2 0.927 119.8 40.2 -59.7 -47.5 20.4 -12.9 13.0 165 303 A N H X S+ 0 0 58 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.841 114.8 52.8 -72.9 -33.5 21.9 -15.6 15.3 166 304 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.4 -2,-0.2 0.927 111.2 46.0 -66.6 -45.9 21.6 -13.3 18.4 167 305 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.947 113.1 49.7 -61.9 -48.9 17.9 -12.7 17.8 168 306 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.896 110.6 50.9 -55.9 -42.3 17.3 -16.4 17.1 169 307 A Y H X S+ 0 0 27 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.923 110.9 47.7 -63.1 -44.7 19.1 -17.3 20.3 170 308 A A H X>S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.5 0.924 111.0 52.3 -60.3 -45.2 17.0 -14.9 22.3 171 309 A L H X5S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.899 115.0 40.5 -59.4 -45.5 13.8 -16.2 20.7 172 310 A R H X5S+ 0 0 68 -4,-2.3 4,-1.5 39,-0.2 -2,-0.2 0.956 116.9 47.0 -69.2 -51.1 14.6 -19.8 21.6 173 311 A K H <5S+ 0 0 34 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.865 125.1 30.6 -62.4 -38.6 16.0 -19.2 25.1 174 312 A L H ><5S+ 0 0 0 -4,-2.5 3,-1.6 -5,-0.3 6,-0.2 0.854 114.5 59.9 -88.1 -36.2 13.2 -16.9 26.2 175 313 A G H 3<> - 0 0 13 36,-0.2 4,-2.4 37,-0.1 3,-2.0 -0.949 34.6 -92.6-154.5 173.2 8.3 1.5 11.4 189 327 A H H 3> S+ 0 0 5 1,-0.3 4,-1.4 -2,-0.3 5,-0.2 0.811 122.2 57.2 -63.5 -31.0 6.6 2.6 8.2 190 328 A G H 34 S+ 0 0 7 2,-0.2 -1,-0.3 1,-0.1 -3,-0.1 0.240 114.9 39.7 -84.0 12.6 9.0 5.5 7.7 191 329 A W H <4 S+ 0 0 53 -3,-2.0 -2,-0.2 3,-0.0 3,-0.2 0.627 136.1 7.6-117.3 -57.4 11.9 3.0 7.8 192 330 A I H < S+ 0 0 0 -4,-2.4 -3,-0.2 -6,-0.2 -2,-0.2 0.135 93.2 105.8-120.1 18.9 10.8 -0.1 5.8 193 331 A G < + 0 0 0 -4,-1.4 65,-0.5 -5,-0.3 -1,-0.1 0.811 60.0 95.5 -68.3 -30.7 7.4 1.0 4.3 194 332 A W S >> S- 0 0 52 -5,-0.2 4,-2.6 63,-0.2 3,-1.3 -0.242 86.3-117.7 -63.3 149.0 9.0 1.4 0.9 195 333 A D H 3> S+ 0 0 120 61,-0.4 4,-0.7 1,-0.3 -1,-0.1 0.829 114.4 57.3 -52.1 -39.5 8.8 -1.5 -1.7 196 334 A S H 34 S+ 0 0 86 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.759 118.6 30.3 -66.1 -25.4 12.6 -1.8 -1.7 197 335 A N H <> S+ 0 0 28 -3,-1.3 4,-1.9 2,-0.1 -2,-0.2 0.726 104.9 70.2-105.6 -31.2 12.7 -2.5 2.1 198 336 A F H X S+ 0 0 23 -4,-2.6 4,-2.1 2,-0.2 3,-0.2 0.958 102.2 39.6 -60.4 -62.5 9.4 -4.2 3.0 199 337 A G H X S+ 0 0 32 -4,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.900 115.2 51.4 -57.3 -47.4 9.8 -7.6 1.4 200 338 A P H > S+ 0 0 56 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.862 108.7 53.0 -62.3 -32.9 13.5 -8.0 2.3 201 339 A S H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.922 106.6 51.7 -64.0 -45.6 12.6 -7.1 6.0 202 340 A V H X S+ 0 0 9 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.924 111.0 49.9 -54.1 -43.9 10.0 -9.9 6.0 203 341 A D H X S+ 0 0 78 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.893 110.4 47.7 -63.5 -42.0 12.7 -12.2 4.7 204 342 A I H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.864 109.3 53.6 -71.5 -33.6 15.2 -11.2 7.4 205 343 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.918 110.4 47.7 -61.9 -43.3 12.7 -11.6 10.2 206 344 A Y H X S+ 0 0 82 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.894 110.2 52.8 -65.4 -39.9 11.9 -15.1 9.0 207 345 A E H >< S+ 0 0 99 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.941 111.3 45.5 -59.0 -49.8 15.7 -15.9 8.8 208 346 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.890 107.5 57.7 -62.4 -41.6 16.2 -14.7 12.4 209 347 A A H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 9,-0.2 0.662 112.3 43.2 -63.0 -16.8 13.1 -16.7 13.6 210 348 A N T << S+ 0 0 71 -3,-1.0 3,-0.4 -4,-0.7 -1,-0.3 0.278 96.9 99.6-110.9 10.3 14.8 -19.8 12.2 211 349 A A S X S+ 0 0 11 -3,-1.6 3,-1.9 -47,-0.2 -39,-0.2 -0.626 79.8 13.7 -98.2 153.6 18.4 -19.2 13.5 212 350 A S T 3 S- 0 0 32 1,-0.3 -1,-0.2 -2,-0.2 -40,-0.1 0.806 136.6 -48.9 56.9 34.2 20.2 -20.6 16.5 213 351 A G T 3 S+ 0 0 54 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.377 106.5 133.2 88.8 -3.3 17.6 -23.4 17.0 214 352 A S < - 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