==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-11 4A1F . COMPND 2 MOLECULE: REPLICATIVE DNA HELICASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR M.STELTER,U.KAPP,J.TIMMINS,L.TERRADOT . 630 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 485 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 55 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 3 2 0 0 0 0 0 2 4 2 2 1 2 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 1 4 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 2 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 2 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 1 151 A A 0 0 161 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.9 -86.4 36.5 -18.8 2 152 A R - 0 0 137 1,-0.1 2,-0.0 2,-0.0 5,-0.0 -0.767 360.0-126.1 -85.8 131.3 -83.6 34.1 -19.2 3 153 A N >> - 0 0 96 -2,-0.5 4,-2.0 1,-0.1 3,-0.5 -0.176 23.3 -96.6 -80.2 172.1 -84.6 30.6 -18.0 4 154 A I H 3> S+ 0 0 114 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.687 121.1 54.0 -63.9 -24.6 -82.9 28.3 -15.4 5 155 A K H 3> S+ 0 0 153 2,-0.2 4,-2.3 3,-0.2 -1,-0.3 0.876 108.1 48.6 -74.9 -41.1 -81.0 26.3 -18.1 6 156 A E H <> S+ 0 0 91 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.920 116.0 44.9 -64.6 -43.0 -79.5 29.4 -19.6 7 157 A V H X S+ 0 0 50 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.907 114.0 48.5 -65.5 -46.8 -78.4 30.6 -16.1 8 158 A L H X S+ 0 0 102 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.951 109.9 49.5 -63.2 -52.0 -77.1 27.2 -15.0 9 159 A E H X S+ 0 0 128 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.874 114.5 48.4 -53.8 -36.5 -75.0 26.5 -18.1 10 160 A S H X S+ 0 0 51 -4,-1.3 4,-1.6 -5,-0.2 -1,-0.2 0.867 110.3 49.2 -72.7 -39.1 -73.6 30.0 -17.5 11 161 A A H X S+ 0 0 45 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.865 110.0 52.5 -66.6 -38.0 -73.0 29.4 -13.8 12 162 A M H X S+ 0 0 88 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.926 107.1 52.1 -60.5 -44.4 -71.3 26.1 -14.8 13 163 A D H X S+ 0 0 104 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.844 105.5 57.8 -60.1 -34.3 -69.1 28.2 -17.2 14 164 A L H X S+ 0 0 106 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.960 110.7 38.9 -61.3 -53.6 -68.2 30.4 -14.3 15 165 A I H X S+ 0 0 94 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.864 113.8 54.7 -70.6 -33.6 -66.8 27.7 -12.1 16 166 A T H X S+ 0 0 39 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.891 109.8 49.3 -62.2 -37.7 -65.1 25.9 -15.0 17 167 A E H X S+ 0 0 74 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.914 111.2 47.4 -68.5 -44.2 -63.5 29.3 -15.8 18 168 A N H X S+ 0 0 85 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 111.4 53.1 -58.9 -41.4 -62.4 29.7 -12.2 19 169 A Q H < S+ 0 0 35 -4,-2.9 4,-0.3 2,-0.2 -2,-0.2 0.947 110.5 45.8 -59.8 -51.0 -61.1 26.1 -12.3 20 170 A R H >< S+ 0 0 68 -4,-2.8 3,-1.7 1,-0.2 4,-0.3 0.952 112.8 51.6 -52.5 -52.3 -59.1 26.9 -15.4 21 171 A K H 3< S+ 0 0 129 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.825 115.9 39.9 -57.6 -36.0 -57.8 30.1 -13.8 22 172 A G T >< S+ 0 0 24 -4,-2.3 3,-0.9 1,-0.2 -1,-0.3 0.248 87.0 100.9-100.2 13.9 -56.7 28.2 -10.6 23 173 A S T < S+ 0 0 4 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.746 81.3 46.2 -76.7 -28.2 -55.3 25.1 -12.4 24 174 A L T 3 S+ 0 0 42 -4,-0.3 -1,-0.3 -3,-0.3 2,-0.1 0.268 87.5 125.8 -96.7 12.3 -51.6 25.9 -12.2 25 175 A E < - 0 0 128 -3,-0.9 2,-0.9 1,-0.1 -3,-0.1 -0.420 66.1-123.3 -70.2 141.3 -52.0 26.9 -8.6 26 176 A V + 0 0 55 1,-0.2 16,-0.1 -2,-0.1 -1,-0.1 -0.780 31.8 175.6 -88.6 105.9 -49.7 25.3 -6.1 27 177 A T + 0 0 98 -2,-0.9 15,-0.2 14,-0.5 -1,-0.2 0.793 61.6 46.5 -80.5 -28.7 -52.0 23.7 -3.5 28 178 A G S S- 0 0 8 13,-2.5 16,-0.2 1,-0.2 14,-0.1 -0.079 107.9 -51.3 -99.9-162.8 -49.3 22.0 -1.5 29 179 A I B -A 43 0A 6 14,-2.4 14,-2.5 129,-0.1 -1,-0.2 -0.603 68.0-102.2 -74.0 129.2 -45.9 22.9 -0.0 30 180 A P - 0 0 43 0, 0.0 43,-0.1 0, 0.0 -1,-0.1 -0.233 21.7-146.8 -53.1 138.3 -43.6 24.5 -2.6 31 181 A T - 0 0 0 2,-0.3 38,-0.2 38,-0.1 39,-0.1 0.717 35.5-115.5 -77.5 -25.7 -40.9 22.1 -4.0 32 182 A G S S+ 0 0 23 37,-0.1 2,-0.5 1,-0.1 284,-0.1 0.203 96.6 87.7 96.9 -11.9 -38.3 24.8 -4.4 33 183 A F > - 0 0 10 1,-0.1 4,-2.5 283,-0.1 -2,-0.3 -0.965 65.6-156.8-125.9 116.5 -38.5 24.0 -8.1 34 184 A V H > S+ 0 0 51 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.874 97.5 48.5 -60.4 -41.9 -41.1 25.9 -10.2 35 185 A Q H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.904 112.1 50.2 -63.0 -41.2 -41.3 23.3 -12.9 36 186 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 6,-0.4 0.864 109.0 51.7 -65.9 -37.1 -41.6 20.6 -10.2 37 187 A D H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.862 106.0 56.2 -63.4 -38.9 -44.5 22.6 -8.7 38 188 A N H < S+ 0 0 43 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.896 113.8 39.0 -61.0 -41.6 -46.1 22.8 -12.1 39 189 A Y H < S+ 0 0 21 -4,-1.7 260,-0.4 1,-0.1 -2,-0.2 0.966 131.7 23.4 -69.4 -54.7 -46.1 19.0 -12.3 40 190 A T H < S- 0 0 10 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.679 90.6-130.4 -92.8 -23.4 -47.0 18.0 -8.7 41 191 A S < - 0 0 14 -4,-2.4 -13,-2.5 -5,-0.4 -14,-0.5 0.796 68.8 -65.8 69.0 29.1 -48.7 21.2 -7.5 42 192 A G S S- 0 0 0 -6,-0.4 2,-0.7 -15,-0.2 -15,-0.1 -0.235 81.3 -44.7 87.9-178.2 -46.4 21.0 -4.5 43 193 A F B -A 29 0A 3 -14,-2.5 -14,-2.4 -2,-0.1 2,-0.2 -0.817 69.3-159.2 -92.9 113.4 -46.2 18.4 -1.8 44 194 A N > - 0 0 51 -2,-0.7 3,-1.8 -16,-0.2 155,-0.2 -0.524 24.0 -83.7-101.8 160.8 -49.7 17.7 -0.7 45 195 A K T 3 S+ 0 0 144 1,-0.3 152,-0.2 -2,-0.2 -1,-0.1 -0.351 113.1 12.4 -63.3 131.8 -51.3 16.2 2.5 46 196 A G T 3 S+ 0 0 1 151,-0.9 147,-0.4 146,-0.4 2,-0.3 0.440 96.6 136.3 83.9 0.8 -51.5 12.4 2.6 47 197 A S < - 0 0 15 -3,-1.8 152,-2.6 145,-0.2 2,-0.6 -0.589 44.3-153.1 -85.0 138.5 -49.1 12.2 -0.4 48 198 A L E -b 199 0B 0 -2,-0.3 185,-2.2 183,-0.2 186,-1.6 -0.965 16.1-172.3-110.5 119.0 -46.2 9.7 -0.5 49 199 A V E -bc 200 234B 0 150,-2.9 152,-3.2 -2,-0.6 2,-0.5 -0.927 6.6-161.2-112.2 130.5 -43.4 10.9 -2.7 50 200 A I E -bc 201 235B 2 184,-3.0 186,-3.1 -2,-0.5 2,-0.6 -0.950 3.6-166.2-111.4 131.6 -40.4 8.8 -3.6 51 201 A I E -bc 202 236B 1 150,-2.4 152,-2.8 -2,-0.5 2,-0.4 -0.960 14.8-165.1-113.0 111.6 -37.1 10.3 -4.8 52 202 A G E +bc 203 237B 0 184,-3.1 186,-2.1 -2,-0.6 2,-0.3 -0.815 17.2 153.8-102.9 137.0 -35.0 7.6 -6.3 53 203 A A E -b 204 0B 0 150,-2.3 152,-2.0 -2,-0.4 186,-0.1 -0.985 38.7-127.6-157.9 145.4 -31.3 8.0 -7.1 54 204 A R > - 0 0 19 184,-0.5 3,-1.0 -2,-0.3 5,-0.3 -0.447 57.2 -80.2 -73.8 163.7 -28.0 6.2 -7.4 55 205 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 150,-0.0 -0.267 116.6 42.7 -57.8 160.0 -25.1 7.5 -5.4 56 206 A S T 3 S+ 0 0 60 -3,-0.1 187,-0.1 1,-0.1 -2,-0.0 0.419 84.4 100.3 80.4 0.8 -23.4 10.6 -6.9 57 207 A M S < S- 0 0 2 -3,-1.0 182,-0.1 181,-0.1 5,-0.1 0.456 92.8-118.6 -96.4 -0.8 -26.7 12.3 -7.9 58 208 A G > + 0 0 16 -4,-0.1 4,-2.4 3,-0.1 3,-0.3 0.794 56.0 156.7 72.6 31.0 -26.7 14.6 -4.9 59 209 A K H > + 0 0 18 -5,-0.3 4,-2.5 1,-0.2 5,-0.1 0.877 69.7 51.5 -58.5 -41.5 -29.9 13.2 -3.4 60 210 A T H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 111.7 47.0 -64.1 -38.2 -29.2 14.4 0.1 61 211 A S H > S+ 0 0 14 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.888 109.9 52.4 -72.1 -40.4 -28.5 17.9 -1.0 62 212 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.943 108.4 52.9 -57.6 -47.6 -31.6 18.1 -3.1 63 213 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.912 106.6 51.2 -52.7 -46.1 -33.6 17.0 -0.1 64 214 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.801 106.6 55.1 -69.7 -26.0 -32.1 19.8 2.1 65 215 A N H X S+ 0 0 22 -4,-1.6 4,-2.3 -3,-0.4 -1,-0.2 0.924 110.4 45.3 -63.4 -47.0 -33.1 22.3 -0.6 66 216 A M H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 109.6 55.7 -64.1 -39.7 -36.6 21.0 -0.4 67 217 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.927 108.7 48.0 -57.0 -46.1 -36.4 21.1 3.4 68 218 A L H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.916 108.5 53.2 -61.2 -45.3 -35.5 24.8 3.1 69 219 A S H X S+ 0 0 24 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.871 109.9 49.7 -58.0 -38.0 -38.3 25.5 0.7 70 220 A A H <>S+ 0 0 0 -4,-2.2 5,-1.7 1,-0.2 -1,-0.2 0.876 109.0 51.2 -67.7 -39.6 -40.7 23.9 3.3 71 221 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.857 104.0 57.7 -66.9 -37.3 -39.3 26.0 6.1 72 222 A N H 3<5S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.865 99.3 59.3 -58.6 -37.2 -39.7 29.2 4.1 73 223 A D T 3<5S- 0 0 56 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.521 120.1-115.0 -70.3 -5.2 -43.4 28.4 3.9 74 224 A D T < 5 + 0 0 77 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.709 69.7 141.2 76.1 21.6 -43.4 28.5 7.7 75 225 A R < - 0 0 83 -5,-1.7 2,-0.5 83,-0.0 -1,-0.3 -0.657 56.7-118.5 -87.7 150.3 -44.2 24.8 7.9 76 226 A G E -d 157 0B 0 80,-1.8 82,-3.0 -2,-0.3 83,-0.9 -0.787 35.8-163.2 -82.9 130.4 -42.6 22.6 10.6 77 227 A V E -de 159 130B 0 52,-2.1 54,-2.6 -2,-0.5 2,-0.4 -0.960 10.6-152.2-123.5 136.9 -40.6 19.9 8.8 78 228 A A E -de 160 131B 0 81,-2.5 83,-3.0 -2,-0.4 2,-0.5 -0.871 9.8-162.7-105.9 138.8 -39.2 16.6 10.2 79 229 A V E -de 161 132B 0 52,-3.3 54,-2.5 -2,-0.4 2,-0.6 -0.969 4.1-162.4-128.0 119.1 -36.1 15.0 8.7 80 230 A F E -de 162 133B 5 81,-3.4 83,-3.2 -2,-0.5 2,-0.7 -0.885 5.9-171.6-101.7 117.6 -35.1 11.3 9.3 81 231 A S E +d 163 0B 0 52,-3.6 3,-0.2 -2,-0.6 83,-0.2 -0.910 8.9 176.9-111.7 104.9 -31.5 10.5 8.5 82 232 A L S S+ 0 0 12 81,-1.9 55,-0.7 -2,-0.7 82,-0.2 0.836 83.7 22.2 -69.5 -38.4 -30.8 6.8 8.6 83 233 A E S S+ 0 0 48 80,-0.7 2,-0.3 53,-0.2 -1,-0.2 0.083 116.5 58.1-120.9 21.2 -27.1 7.0 7.6 84 234 A M S S- 0 0 56 -3,-0.2 2,-0.1 79,-0.2 -3,-0.1 -0.995 77.1-107.2-155.9 144.5 -25.9 10.5 8.4 85 235 A S > - 0 0 46 -2,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.422 27.7-123.5 -72.8 147.8 -25.7 12.9 11.4 86 236 A A H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.847 111.6 64.1 -55.9 -35.4 -28.1 15.8 11.7 87 237 A E H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.934 100.5 48.9 -55.1 -49.6 -24.9 18.0 11.8 88 238 A Q H > S+ 0 0 46 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.850 112.3 49.7 -59.2 -34.8 -23.9 17.1 8.3 89 239 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.866 109.8 49.7 -74.2 -37.2 -27.5 17.8 7.2 90 240 A A H X S+ 0 0 28 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.888 108.9 53.7 -65.3 -40.2 -27.5 21.2 8.9 91 241 A L H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 106.2 51.5 -61.8 -45.3 -24.2 22.0 7.3 92 242 A R H X S+ 0 0 51 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.900 112.2 48.0 -57.2 -41.3 -25.6 21.2 3.8 93 243 A A H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.938 110.4 49.3 -64.5 -49.2 -28.5 23.6 4.6 94 244 A L H X S+ 0 0 14 -4,-3.0 4,-2.6 1,-0.2 6,-0.4 0.865 108.7 56.1 -59.0 -35.5 -26.2 26.4 5.9 95 245 A S H X S+ 0 0 5 -4,-2.5 4,-1.3 -5,-0.2 5,-0.4 0.875 107.6 47.0 -63.5 -41.3 -24.2 25.9 2.7 96 246 A D H < S+ 0 0 17 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.919 114.7 47.6 -64.8 -43.7 -27.2 26.5 0.5 97 247 A L H < S+ 0 0 52 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.875 122.0 32.4 -65.1 -42.4 -28.2 29.5 2.5 98 248 A T H < S- 0 0 6 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.535 96.1-130.8 -93.6 -9.2 -24.8 31.2 2.6 99 249 A S < + 0 0 69 -4,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.696 58.6 148.1 61.4 16.5 -23.6 30.0 -0.8 100 250 A I - 0 0 6 -6,-0.4 -1,-0.3 -5,-0.4 -2,-0.2 -0.710 56.4-100.6 -83.7 133.1 -20.5 29.0 1.0 101 251 A N > - 0 0 42 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.119 19.8-130.3 -46.5 140.7 -18.7 26.0 -0.3 102 252 A M H > S+ 0 0 36 208,-0.5 4,-2.0 1,-0.2 5,-0.2 0.864 111.0 49.9 -62.6 -34.6 -19.3 22.7 1.6 103 253 A H H > S+ 0 0 136 207,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.912 115.2 40.8 -70.9 -43.9 -15.5 22.3 1.6 104 254 A D H >>S+ 0 0 59 2,-0.2 4,-0.9 1,-0.1 5,-0.7 0.905 116.0 50.9 -69.3 -42.9 -14.8 25.7 2.9 105 255 A L H ><5S+ 0 0 10 -4,-3.1 3,-1.0 1,-0.2 -2,-0.2 0.952 111.6 45.2 -61.3 -52.4 -17.7 25.7 5.4 106 256 A E H 3<5S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.9 58.4 -63.5 -32.8 -16.8 22.4 7.0 107 257 A S H 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.745 99.6-139.1 -68.0 -22.5 -13.1 23.3 7.2 108 258 A G T <<5 + 0 0 56 -3,-1.0 2,-1.4 -4,-0.9 -3,-0.1 0.454 63.2 130.0 75.4 -0.1 -14.2 26.3 9.3 109 259 A R < + 0 0 213 -5,-0.7 2,-0.3 0, 0.0 -1,-0.2 -0.664 34.5 152.6 -88.1 86.5 -11.6 28.3 7.4 110 260 A L - 0 0 41 -2,-1.4 2,-0.1 -3,-0.1 -5,-0.0 -0.867 42.2-125.2-120.8 147.9 -13.8 31.3 6.4 111 261 A D > - 0 0 83 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.286 40.6 -97.1 -80.0 175.6 -13.2 35.0 5.6 112 262 A D H > S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.801 124.0 52.8 -70.5 -31.7 -15.1 37.7 7.4 113 263 A D H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 112.1 48.7 -63.5 -40.3 -17.7 38.2 4.7 114 264 A Q H > S+ 0 0 46 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.908 112.3 45.4 -68.9 -43.9 -18.4 34.4 5.0 115 265 A W H X S+ 0 0 164 -4,-2.4 4,-3.5 2,-0.2 5,-0.2 0.918 113.0 50.8 -66.0 -43.0 -18.6 34.3 8.8 116 266 A E H X S+ 0 0 133 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.959 115.7 42.3 -57.0 -52.2 -20.9 37.4 8.9 117 267 A N H X S+ 0 0 63 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.903 115.5 49.6 -59.9 -45.2 -23.1 35.8 6.3 118 268 A L H X S+ 0 0 25 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.914 109.3 52.9 -60.3 -42.9 -22.9 32.4 8.0 119 269 A A H X S+ 0 0 27 -4,-3.5 4,-1.8 1,-0.2 -1,-0.2 0.868 108.9 48.8 -63.4 -38.9 -23.7 33.9 11.4 120 270 A K H X S+ 0 0 162 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.913 112.8 46.9 -68.2 -42.7 -26.8 35.6 10.0 121 271 A C H X S+ 0 0 18 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.831 107.6 58.8 -67.5 -33.1 -28.1 32.4 8.4 122 272 A F H X S+ 0 0 122 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.949 108.5 43.2 -58.5 -51.6 -27.3 30.5 11.6 123 273 A D H X S+ 0 0 107 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.864 115.1 51.3 -63.2 -37.3 -29.7 32.7 13.6 124 274 A H H >X S+ 0 0 85 -4,-1.8 3,-1.0 1,-0.2 4,-0.5 0.956 112.2 43.8 -64.0 -53.8 -32.3 32.5 10.8 125 275 A L H >< S+ 0 0 22 -4,-3.0 3,-0.8 1,-0.2 -1,-0.2 0.785 106.4 63.9 -62.2 -29.3 -32.3 28.8 10.5 126 276 A S H 3< S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.755 98.9 53.4 -69.4 -25.6 -32.3 28.5 14.3 127 277 A Q H << S+ 0 0 155 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.640 91.3 99.3 -82.4 -15.7 -35.7 30.2 14.4 128 278 A K S << S- 0 0 57 -3,-0.8 2,-1.4 -4,-0.5 -52,-0.1 -0.383 82.0-116.9 -76.7 149.9 -37.2 27.6 12.0 129 279 A K + 0 0 101 -54,-0.2 -52,-2.1 -58,-0.2 2,-0.4 -0.667 55.8 150.1 -87.7 85.6 -39.2 24.6 13.1 130 280 A L E -e 77 0B 33 -2,-1.4 2,-0.6 -54,-0.2 -52,-0.2 -0.975 27.5-164.1-123.7 127.1 -37.0 21.8 11.9 131 281 A F E -e 78 0B 41 -54,-2.6 -52,-3.3 -2,-0.4 2,-0.3 -0.926 6.2-163.6-120.3 112.9 -36.8 18.4 13.6 132 282 A F E -e 79 0B 60 -2,-0.6 2,-0.4 -54,-0.2 -52,-0.2 -0.677 10.3-173.2 -91.8 144.4 -33.9 16.0 12.9 133 283 A Y E +e 80 0B 49 -54,-2.5 -52,-3.6 -2,-0.3 -2,-0.0 -0.946 12.4 165.5-131.3 114.0 -33.8 12.3 13.7 134 284 A D + 0 0 67 -2,-0.4 2,-0.4 -54,-0.2 -54,-0.1 0.058 26.0 131.2-121.5 24.1 -30.3 10.8 13.0 135 285 A K > - 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0 0 53 -4,-2.9 3,-1.2 -5,-0.2 -1,-0.3 -0.924 56.9-173.9-126.2 108.0 -46.4 20.2 17.2 155 305 A K T 3 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.774 85.6 68.4 -64.9 -25.4 -49.6 20.9 15.2 156 306 A E T 3 + 0 0 76 -81,-0.1 -80,-1.8 2,-0.0 -1,-0.2 0.648 68.1 118.3 -71.9 -17.1 -47.4 22.9 12.8 157 307 A L E < +d 76 0B 4 -3,-1.2 -80,-0.2 -7,-0.2 3,-0.1 -0.331 30.3 161.1 -53.3 124.1 -45.7 19.8 11.5 158 308 A G E + 0 0 12 -82,-3.0 2,-0.3 1,-0.3 -81,-0.2 0.419 52.8 19.1-131.8 -1.8 -46.5 19.7 7.8 159 309 A I E -d 77 0B 1 -83,-0.9 -81,-2.5 38,-0.2 2,-0.4 -0.956 53.5-154.9-169.6 147.9 -44.0 17.4 6.1 160 310 A A E -df 78 199B 0 38,-1.7 40,-2.8 -2,-0.3 2,-0.4 -0.995 6.7-158.3-133.7 140.1 -41.4 14.7 6.7 161 311 A F E -df 79 200B 0 -83,-3.0 -81,-3.4 -2,-0.4 2,-0.4 -0.907 2.9-160.7-115.4 143.0 -38.3 13.6 4.8 162 312 A I E -df 80 201B 1 38,-2.4 40,-3.4 -2,-0.4 2,-0.4 -0.984 10.0-147.2-126.4 125.6 -36.6 10.3 5.0 163 313 A D E -d 81 0B 2 -83,-3.2 -81,-1.9 -2,-0.4 -80,-0.7 -0.910 63.5 -6.1-138.9 107.1 -33.0 9.8 3.9 164 314 A Y E - 0 0 40 38,-0.5 2,-0.5 -2,-0.4 -1,-0.3 0.685 39.9-172.3-142.7 170.1 -32.7 7.2 2.8 165 315 A L E - f 0 203B 17 37,-3.3 39,-2.5 -3,-0.3 2,-0.3 -0.831 30.3-145.6 -94.7 128.8 -34.2 3.7 2.1 166 316 A Q E - f 0 204B 83 -2,-0.5 2,-0.6 37,-0.2 39,-0.1 -0.681 8.9-130.8 -93.2 146.1 -31.7 1.2 0.8 167 317 A L - 0 0 4 37,-0.9 2,-0.5 -2,-0.3 57,-0.1 -0.863 18.0-143.8 -99.3 123.0 -32.7 -1.5 -1.7 168 318 A M + 0 0 21 -2,-0.6 57,-0.4 57,-0.1 2,-0.4 -0.726 23.9 173.0 -91.3 128.3 -31.6 -5.1 -0.9 169 319 A S > - 0 0 70 -2,-0.5 3,-0.5 55,-0.1 4,-0.3 -0.998 42.7 -16.2-137.1 132.6 -30.6 -7.4 -3.7 170 320 A G T 3> S- 0 0 47 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.411 116.7 -10.9 85.4-153.5 -29.0 -10.9 -3.7 171 321 A S H 3> S+ 0 0 104 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.868 134.6 56.1 -52.0 -42.8 -27.4 -12.8 -0.9 172 322 A K H <> S+ 0 0 124 -3,-0.5 4,-4.5 1,-0.2 5,-0.4 0.973 106.8 49.5 -54.1 -55.2 -27.3 -9.6 1.2 173 323 A A H > S+ 0 0 18 -4,-0.3 4,-2.0 1,-0.2 5,-0.3 0.894 115.4 43.8 -49.4 -46.9 -31.1 -9.3 0.8 174 324 A T H < S+ 0 0 121 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.913 122.1 37.4 -67.0 -44.6 -31.5 -13.0 1.8 175 325 A K H < S+ 0 0 88 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.843 118.2 50.7 -75.5 -34.4 -29.1 -12.8 4.7 176 326 A E H < S- 0 0 82 -4,-4.5 -3,-0.2 -5,-0.3 -2,-0.2 0.874 80.3-160.7 -76.3 -41.1 -30.0 -9.3 5.8 177 327 A R < + 0 0 211 -4,-2.0 -3,-0.1 -5,-0.4 -4,-0.1 0.915 24.1 173.1 60.5 45.4 -33.8 -9.7 5.9 178 328 A H - 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