==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 05-DEC-11 3UXU . COMPND 2 MOLECULE: PROBABLE INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS VIRUS 1; . AUTHOR B.J.EILERS,M.J.YOUNG,C.M.LAWRENCE . 159 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 8.8 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 . 1 0.6 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 . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 1 0 1 1 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 176 A I 0 0 182 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.9 24.2 33.2 -8.3 2 177 A Y - 0 0 210 0, 0.0 105,-0.0 0, 0.0 0, 0.0 -0.847 360.0-163.0-108.9 150.0 24.8 29.5 -7.7 3 178 A I - 0 0 87 -2,-0.3 102,-0.1 105,-0.0 101,-0.0 -0.995 26.8-108.8-131.8 133.7 22.1 26.8 -7.7 4 179 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 3,-0.0 -0.244 30.6-128.0 -63.7 151.5 22.5 23.3 -6.3 5 180 A T > - 0 0 75 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.589 25.1-109.0 -89.2 161.6 22.7 20.4 -8.8 6 181 A L H > S+ 0 0 64 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.907 120.8 53.1 -55.1 -41.6 20.4 17.4 -8.4 7 182 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 106.6 50.3 -68.0 -35.7 23.4 15.3 -7.3 8 183 A E H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 92,-0.4 0.900 112.0 49.9 -63.6 -40.3 24.4 17.8 -4.5 9 184 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.937 113.1 45.6 -62.8 -47.3 20.7 17.7 -3.3 10 185 A K H X S+ 0 0 119 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.915 111.5 51.2 -64.8 -43.6 20.8 13.9 -3.3 11 186 A R H X S+ 0 0 124 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.937 110.7 50.0 -54.9 -50.1 24.2 13.7 -1.6 12 187 A T H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 -2,-0.2 0.925 109.5 50.9 -57.8 -45.1 22.9 16.0 1.1 13 188 A L H X S+ 0 0 24 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.879 110.1 49.9 -59.4 -39.5 19.7 13.9 1.6 14 189 A Q H X S+ 0 0 100 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.934 113.0 45.2 -69.7 -45.6 21.8 10.8 2.0 15 190 A L H X S+ 0 0 11 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.940 111.8 53.6 -57.4 -50.1 24.1 12.4 4.6 16 191 A A H X S+ 0 0 0 -4,-3.3 4,-2.9 -5,-0.2 8,-0.6 0.915 106.9 52.1 -50.9 -43.8 21.0 13.9 6.4 17 192 A K H < S+ 0 0 105 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.900 109.7 48.2 -64.2 -42.0 19.5 10.4 6.6 18 193 A D H < S+ 0 0 121 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.940 114.0 47.6 -60.8 -48.8 22.6 8.9 8.1 19 194 A Y H < S- 0 0 81 -4,-2.8 2,-0.3 1,-0.2 -2,-0.2 0.929 133.7 -24.6 -60.3 -49.5 22.8 11.8 10.7 20 195 A S X - 0 0 31 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 -0.889 42.5-136.0-167.8 137.8 19.1 11.6 11.6 21 196 A E H > S+ 0 0 75 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.864 110.9 51.1 -61.5 -33.2 15.8 10.4 10.2 22 197 A N H > S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 109.6 46.8 -75.4 -40.4 14.2 13.6 11.4 23 198 A V H > S+ 0 0 0 -7,-0.2 4,-2.4 2,-0.2 5,-0.2 0.912 111.5 53.4 -65.8 -42.8 16.8 15.9 9.9 24 199 A Y H X S+ 0 0 34 -4,-2.7 4,-2.5 -8,-0.6 -2,-0.2 0.958 108.1 50.8 -49.7 -49.7 16.5 14.0 6.7 25 200 A F H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.814 107.0 52.4 -66.6 -31.9 12.7 14.6 6.8 26 201 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.983 112.4 46.4 -65.2 -53.5 13.0 18.3 7.3 27 202 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.875 111.5 52.4 -50.7 -43.6 15.3 18.5 4.3 28 203 A R H X S+ 0 0 79 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.954 109.5 46.0 -65.5 -49.7 13.0 16.3 2.3 29 204 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 6,-0.3 0.880 111.0 55.5 -62.9 -30.5 9.9 18.5 3.0 30 205 A A H X S+ 0 0 4 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.953 109.6 47.2 -62.8 -43.1 12.2 21.5 2.1 31 206 A L H < S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 113.7 46.1 -68.6 -34.9 12.9 19.9 -1.2 32 207 A E H < S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.810 126.1 26.7 -75.2 -25.5 9.2 19.1 -1.9 33 208 A S H < S- 0 0 0 -4,-1.8 41,-0.3 -5,-0.2 -2,-0.2 0.626 81.9-139.7-115.9 -26.6 7.8 22.5 -1.0 34 209 A G < + 0 0 0 -4,-2.3 -4,-0.1 -5,-0.3 -3,-0.1 0.628 55.8 137.1 66.5 15.1 10.4 25.2 -1.5 35 210 A V - 0 0 3 -6,-0.3 -1,-0.2 -5,-0.2 71,-0.1 -0.380 61.5 -85.4 -86.6 171.6 9.3 26.9 1.7 36 211 A R >> - 0 0 103 91,-0.3 4,-2.0 1,-0.1 3,-1.0 -0.396 38.8-109.4 -73.3 154.7 11.7 28.4 4.4 37 212 A L H 3> S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 118.4 56.2 -49.2 -44.6 13.1 26.2 7.1 38 213 A S H 3> S+ 0 0 48 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.813 106.7 49.5 -64.0 -29.2 10.8 28.0 9.8 39 214 A E H <> S+ 0 0 8 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.890 109.1 51.7 -76.0 -37.0 7.7 27.2 7.8 40 215 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.923 108.2 52.2 -61.6 -43.3 8.7 23.5 7.4 41 216 A L H X S+ 0 0 66 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.884 107.7 53.1 -61.6 -36.2 9.2 23.3 11.2 42 217 A K H X S+ 0 0 96 -4,-1.3 4,-0.9 1,-0.2 3,-0.4 0.918 109.7 46.3 -65.9 -44.2 5.7 24.7 11.8 43 218 A V H < S+ 0 0 1 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.865 113.5 48.7 -70.4 -33.0 4.0 22.1 9.6 44 219 A L H < S+ 0 0 0 -4,-2.0 38,-2.3 1,-0.2 -1,-0.2 0.610 101.9 63.1 -80.2 -14.6 5.9 19.2 11.2 45 220 A K H < S+ 0 0 106 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.790 121.6 21.8 -71.6 -31.1 5.1 20.4 14.7 46 221 A E >< + 0 0 65 -4,-0.9 3,-1.1 -3,-0.3 -1,-0.2 -0.554 66.5 165.6-140.1 71.5 1.4 19.9 13.9 47 222 A P G > + 0 0 23 0, 0.0 3,-1.7 0, 0.0 32,-0.2 0.650 61.2 89.0 -64.1 -15.6 1.0 17.4 11.1 48 223 A E G 3 S+ 0 0 123 1,-0.3 -4,-0.0 -3,-0.1 -5,-0.0 0.847 82.8 55.7 -45.5 -45.2 -2.8 17.1 12.0 49 224 A R G < S+ 0 0 152 -3,-1.1 -1,-0.3 -6,-0.1 2,-0.1 0.490 79.1 117.2 -73.0 -8.2 -3.7 20.0 9.7 50 225 A D < - 0 0 28 -3,-1.7 2,-0.5 -7,-0.2 9,-0.2 -0.419 51.8-153.0 -65.8 133.4 -2.2 18.6 6.5 51 226 A I E -A 58 0A 73 7,-2.5 7,-2.8 -2,-0.1 2,-0.3 -0.944 11.0-166.1-111.2 131.0 -4.6 17.8 3.7 52 227 A a E +A 57 0A 67 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.871 7.7 177.8-117.4 147.1 -3.7 15.1 1.2 53 228 A G - 0 0 41 3,-1.7 4,-0.0 -2,-0.3 0, 0.0 -0.550 50.4 -70.9-126.3-166.5 -5.2 14.2 -2.2 54 229 A N S S+ 0 0 163 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.859 126.9 4.8 -53.6 -43.1 -4.8 11.8 -5.1 55 230 A D S S+ 0 0 78 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.664 127.5 27.6-113.5 -24.6 -1.6 13.4 -6.3 56 231 A V - 0 0 4 2,-0.0 -3,-1.7 18,-0.0 2,-0.3 -0.957 53.7-142.1-158.5 147.0 -0.6 16.1 -3.9 57 232 A a E -AB 52 75A 6 18,-2.9 18,-2.2 -2,-0.3 2,-0.3 -0.854 15.9-171.0-120.9 154.6 -0.7 17.4 -0.3 58 233 A Y E -AB 51 74A 47 -7,-2.8 -7,-2.5 -2,-0.3 16,-0.2 -0.997 11.6-162.8-148.6 147.7 -1.0 20.9 1.1 59 234 A Y E - B 0 73A 6 14,-0.7 14,-2.3 -2,-0.3 2,-0.2 -0.947 20.2-140.1-135.0 111.0 -0.8 22.7 4.5 60 235 A P E - B 0 72A 46 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.538 19.1-173.0 -77.7 136.6 -2.3 26.1 4.9 61 236 A L E - B 0 71A 18 10,-2.6 10,-1.9 -2,-0.2 2,-0.1 -0.996 16.4-135.1-127.3 135.5 -0.4 28.6 6.9 62 237 A S E - B 0 70A 82 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.350 12.7-163.9 -82.0 166.2 -1.5 32.0 8.0 63 238 A W E + B 0 69A 46 6,-1.6 6,-3.1 -2,-0.1 4,-0.1 -0.871 11.7 176.4-159.4 109.4 0.7 35.1 7.7 64 239 A T + 0 0 111 -2,-0.3 2,-1.0 4,-0.2 4,-0.2 -0.087 36.2 127.9-119.3 32.8 -0.4 38.2 9.7 65 240 A R S S- 0 0 186 2,-0.3 2,-0.6 1,-0.1 3,-0.1 -0.740 92.2 -27.8-103.6 88.1 2.6 40.4 8.9 66 241 A G S S+ 0 0 90 -2,-1.0 2,-0.3 0, 0.0 -1,-0.1 -0.460 143.6 18.9 102.1 -59.0 1.5 43.8 7.5 67 242 A Y S S- 0 0 62 -2,-0.6 2,-0.5 -4,-0.1 -2,-0.3 -0.915 93.4-101.9-126.0 161.1 -1.7 42.3 6.1 68 243 A K + 0 0 146 -2,-0.3 66,-1.9 -4,-0.2 2,-0.3 -0.778 57.1 156.1 -82.6 124.6 -3.5 39.0 7.0 69 244 A G E -BC 63 133A 2 -6,-3.1 -6,-1.6 -2,-0.5 2,-0.3 -0.896 31.4-139.7-145.3 168.5 -2.7 36.4 4.3 70 245 A V E +BC 62 132A 21 62,-2.1 62,-2.0 -2,-0.3 2,-0.3 -0.972 18.3 168.2-134.5 145.4 -2.5 32.7 3.6 71 246 A F E -B 61 0A 3 -10,-1.9 -10,-2.6 -2,-0.3 2,-0.4 -0.914 25.7-119.4-143.0 179.1 -0.2 30.4 1.6 72 247 A Y E -B 60 0A 28 53,-0.4 2,-0.9 -2,-0.3 56,-0.1 -0.952 4.1-140.7-130.1 140.6 0.3 26.7 1.3 73 248 A V E -B 59 0A 0 -14,-2.3 -14,-0.7 -2,-0.4 2,-0.2 -0.868 32.3-160.9 -92.1 101.4 3.1 24.3 2.0 74 249 A F E +B 58 0A 0 -2,-0.9 2,-0.3 52,-0.4 -16,-0.2 -0.575 23.0 144.7 -81.6 144.4 2.7 21.9 -0.9 75 250 A H E -B 57 0A 0 -18,-2.2 -18,-2.9 -2,-0.2 79,-0.1 -0.962 46.4-135.7-163.0 177.9 4.3 18.4 -0.8 76 251 A I S S+ 0 0 33 -2,-0.3 -1,-0.1 -20,-0.2 -18,-0.1 0.585 78.9 79.1-117.7 -16.0 3.9 14.8 -1.8 77 252 A T S S- 0 0 20 -20,-0.1 -1,-0.1 -49,-0.1 -45,-0.0 -0.782 85.0-113.3 -98.6 126.1 4.9 12.9 1.3 78 253 A P - 0 0 88 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.309 39.7-114.6 -52.8 141.7 2.4 12.5 4.2 79 254 A L - 0 0 26 -32,-0.2 2,-0.3 -33,-0.0 -35,-0.1 -0.320 30.0-171.9 -74.0 155.9 3.6 14.4 7.2 80 255 A K - 0 0 89 -2,-0.1 2,-0.1 2,-0.0 -34,-0.1 -0.953 40.7 -82.0-140.0 159.1 4.5 12.9 10.6 81 256 A R + 0 0 133 -2,-0.3 2,-0.3 -36,-0.1 -36,-0.2 -0.401 52.3 173.4 -64.5 130.5 5.3 14.6 13.9 82 257 A V + 0 0 8 -38,-2.3 2,-0.4 -41,-0.2 -36,-0.0 -0.949 10.9 165.6-141.1 123.0 8.9 15.9 14.0 83 258 A E + 0 0 127 -2,-0.3 2,-0.3 -38,-0.0 -61,-0.1 -0.964 12.1 158.8-134.6 119.8 10.5 18.0 16.7 84 259 A V - 0 0 43 -2,-0.4 -2,-0.0 -62,-0.1 5,-0.0 -0.940 48.5 -85.8-129.2 154.8 14.3 18.4 16.9 85 260 A T >> - 0 0 88 -2,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.268 34.2-122.3 -52.1 145.9 16.6 21.0 18.5 86 261 A K H 3> S+ 0 0 167 1,-0.2 4,-1.0 2,-0.1 3,-0.4 0.810 112.2 62.4 -51.7 -33.0 17.2 24.0 16.3 87 262 A W H 3> S+ 0 0 183 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.574 84.5 72.9 -75.1 -17.1 20.9 23.1 16.8 88 263 A A H <> S+ 0 0 20 -3,-1.1 4,-3.1 2,-0.2 -1,-0.2 0.903 99.1 45.3 -68.8 -44.1 20.8 19.7 15.1 89 264 A I H X S+ 0 0 11 -4,-0.5 4,-3.1 -3,-0.4 5,-0.2 0.967 114.7 47.4 -60.0 -58.4 20.5 21.1 11.6 90 265 A A H X S+ 0 0 47 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.903 114.1 49.7 -51.9 -42.5 23.2 23.6 12.2 91 266 A D H X S+ 0 0 32 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.923 110.8 48.6 -63.1 -50.5 25.3 20.7 13.6 92 267 A F H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 3,-0.4 0.922 111.6 49.4 -50.6 -51.1 24.6 18.5 10.7 93 268 A E H < S+ 0 0 54 -4,-3.1 6,-0.3 1,-0.2 -2,-0.2 0.938 109.7 52.2 -60.1 -47.1 25.5 21.3 8.2 94 269 A R H < S+ 0 0 175 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.771 107.8 50.0 -60.8 -32.7 28.8 22.0 10.1 95 270 A R H < S+ 0 0 151 -4,-1.5 2,-0.8 -3,-0.4 -1,-0.2 0.871 108.6 53.0 -81.1 -35.5 30.1 18.4 10.1 96 271 A H >< - 0 0 52 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.2 -0.825 64.0-175.0-103.6 101.7 29.6 17.7 6.4 97 272 A K T 3 S+ 0 0 203 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.499 85.5 55.4 -74.9 -7.0 31.3 20.5 4.5 98 273 A D T 3 S+ 0 0 79 2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.374 83.7 109.4 -99.7 -2.7 29.9 19.1 1.2 99 274 A A S < S- 0 0 17 -3,-1.7 2,-0.3 -6,-0.3 -90,-0.1 -0.578 75.2-118.4 -73.9 132.4 26.2 19.3 2.4 100 275 A I - 0 0 28 -92,-0.4 2,-0.1 -2,-0.3 -1,-0.1 -0.557 32.3-110.4 -71.1 132.1 24.1 21.9 0.8 101 276 A A > - 0 0 30 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.422 27.4-122.4 -60.3 136.2 22.8 24.4 3.4 102 277 A I G > S+ 0 0 12 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.855 106.9 65.7 -55.5 -35.3 19.0 23.9 3.8 103 278 A K G 3 S+ 0 0 135 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.633 95.1 58.8 -63.2 -15.4 18.2 27.5 2.8 104 279 A Y G <> S+ 0 0 99 -3,-2.0 4,-1.1 1,-0.2 -1,-0.3 0.393 81.5 83.1 -97.8 1.9 19.5 26.9 -0.7 105 280 A F H <> S+ 0 0 0 -3,-2.2 4,-2.7 -4,-0.2 3,-0.2 0.878 84.7 60.5 -66.1 -38.7 17.0 24.1 -1.3 106 281 A R H > S+ 0 0 31 -4,-0.4 4,-3.0 -3,-0.3 5,-0.2 0.894 101.0 54.4 -50.7 -44.5 14.5 26.8 -2.2 107 282 A K H > S+ 0 0 74 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.873 107.7 48.9 -64.4 -37.3 16.8 27.9 -5.0 108 283 A F H X S+ 0 0 10 -4,-1.1 4,-2.4 -3,-0.2 5,-0.2 0.949 111.8 49.2 -63.2 -48.0 16.8 24.4 -6.4 109 284 A V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.946 112.8 46.8 -57.9 -47.4 13.0 24.2 -6.2 110 285 A A H X S+ 0 0 26 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.944 112.4 50.1 -60.2 -47.2 12.6 27.5 -8.0 111 286 A S H X S+ 0 0 32 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.891 114.4 43.9 -58.2 -43.3 15.0 26.7 -10.7 112 287 A K H X S+ 0 0 36 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.867 111.8 51.9 -74.9 -38.6 13.4 23.3 -11.4 113 288 A M H <>S+ 0 0 1 -4,-2.9 5,-2.3 -5,-0.2 3,-0.4 0.899 108.7 52.0 -63.6 -39.6 9.9 24.8 -11.3 114 289 A A H ><5S+ 0 0 55 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.919 105.9 54.7 -60.7 -42.8 11.0 27.4 -13.8 115 290 A E H 3<5S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.774 106.1 52.9 -61.0 -28.0 12.4 24.6 -16.1 116 291 A L T 3<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.184 123.6-107.8 -92.9 17.3 8.9 23.0 -15.9 117 292 A S T < 5 + 0 0 92 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.765 61.6 157.9 61.5 32.1 7.3 26.4 -17.0 118 293 A V < - 0 0 7 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.728 50.2-110.9 -76.4 124.4 5.8 27.4 -13.7 119 294 A P >> - 0 0 62 0, 0.0 4,-2.1 0, 0.0 3,-1.5 -0.385 23.8-116.5 -58.9 142.5 5.4 31.2 -14.0 120 295 A L H 3> S+ 0 0 125 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.835 112.9 52.6 -50.5 -40.5 7.7 33.1 -11.7 121 296 A D H 3> S+ 0 0 110 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.701 108.6 49.7 -78.2 -17.1 4.9 34.7 -9.6 122 297 A I H <> S+ 0 0 8 -3,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.779 108.2 54.6 -80.8 -31.9 3.3 31.2 -9.0 123 298 A I H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.980 108.9 47.7 -61.0 -51.5 6.7 30.1 -7.9 124 299 A D H <>S+ 0 0 50 -4,-2.5 5,-2.5 1,-0.2 6,-0.7 0.904 113.6 47.9 -54.8 -42.2 6.9 33.0 -5.4 125 300 A F H ><5S+ 0 0 3 -4,-1.2 3,-1.8 1,-0.2 -53,-0.4 0.955 110.5 49.7 -67.9 -47.5 3.4 32.1 -4.2 126 301 A I H 3<5S+ 0 0 0 -4,-2.9 -52,-0.4 1,-0.3 -1,-0.2 0.849 111.1 51.4 -53.3 -38.8 4.1 28.4 -3.8 127 302 A Q T 3<5S- 0 0 4 -4,-2.2 -91,-0.3 -5,-0.2 -1,-0.3 0.403 116.9-113.5 -82.5 2.4 7.3 29.2 -1.9 128 303 A G T < 5S+ 0 0 11 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.720 80.6 123.7 70.0 22.6 5.4 31.5 0.5 129 304 A R S -C 69 0A 145 -2,-0.4 3,-1.3 -64,-0.2 6,-0.6 -0.468 42.7-100.8 -58.2 134.4 -4.6 38.5 1.2 134 309 A V T 3 S+ 0 0 37 -66,-1.9 -1,-0.1 1,-0.2 -66,-0.1 -0.303 98.9 10.7 -67.9 138.3 -7.6 36.8 2.8 135 310 A L T 3 S+ 0 0 145 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.564 98.2 115.7 73.9 18.6 -10.9 37.4 1.0 136 311 A T S <> S- 0 0 48 -3,-1.3 4,-1.7 1,-0.1 -1,-0.2 -0.588 84.5-100.7-104.3 167.8 -9.6 39.0 -2.2 137 312 A Q H > S+ 0 0 167 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.841 124.9 59.5 -54.4 -37.3 -9.7 37.5 -5.7 138 313 A H H > S+ 0 0 93 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.938 105.6 48.3 -57.1 -46.6 -6.1 36.4 -5.2 139 314 A Y H > S+ 0 0 89 -6,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.871 112.3 48.8 -59.8 -40.4 -7.3 34.3 -2.2 140 315 A V H < S+ 0 0 115 -4,-1.7 4,-0.4 1,-0.1 -2,-0.2 0.950 125.7 25.1 -63.5 -46.3 -10.1 32.9 -4.3 141 316 A S H X S+ 0 0 40 -4,-2.7 4,-1.7 1,-0.1 3,-0.3 0.851 103.8 71.4 -93.8 -39.2 -8.0 31.9 -7.2 142 317 A L H X S+ 0 0 17 -4,-3.1 4,-3.1 -5,-0.3 5,-0.3 0.804 92.2 56.7 -62.0 -36.9 -4.3 31.4 -6.2 143 318 A F H X S+ 0 0 45 -4,-0.5 4,-3.0 -5,-0.3 -1,-0.2 0.971 111.3 42.5 -57.7 -54.0 -4.6 28.2 -4.3 144 319 A G H > S+ 0 0 42 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.817 116.5 47.9 -64.8 -33.6 -6.1 26.3 -7.2 145 320 A I H X S+ 0 0 82 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.884 113.5 48.3 -72.5 -40.6 -3.8 27.8 -9.8 146 321 A A H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 -2,-0.2 0.914 109.1 53.4 -63.7 -44.1 -0.8 27.1 -7.6 147 322 A K H X S+ 0 0 58 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.943 107.0 51.6 -60.0 -46.2 -2.0 23.5 -7.0 148 323 A E H < S+ 0 0 109 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.877 113.8 43.0 -61.5 -39.7 -2.2 22.8 -10.7 149 324 A Q H >X S+ 0 0 39 -4,-1.7 3,-1.6 1,-0.2 4,-0.9 0.915 108.0 60.0 -70.1 -41.9 1.3 24.1 -11.3 150 325 A Y H >X S+ 0 0 1 -4,-3.2 4,-2.6 1,-0.3 3,-0.7 0.855 91.9 68.9 -56.0 -33.7 2.7 22.3 -8.3 151 326 A K H 3X S+ 0 0 67 -4,-1.8 4,-2.9 1,-0.3 -1,-0.3 0.815 92.4 58.7 -54.7 -33.7 1.5 18.9 -9.9 152 327 A K H <> S+ 0 0 63 -3,-1.6 4,-2.1 -4,-0.5 -1,-0.3 0.923 110.3 42.8 -59.4 -41.6 4.2 19.3 -12.6 153 328 A Y H < S+ 0 0 63 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.905 109.3 52.7 -57.8 -44.6 8.9 15.2 -11.4 157 332 A L H 3< S+ 0 0 39 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.926 101.9 59.7 -58.9 -43.5 9.7 14.3 -7.7 158 333 A K H 3< 0 0 127 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.636 360.0 360.0 -67.3 -13.0 7.9 11.0 -8.3 159 334 A G << 0 0 101 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 -0.359 360.0 360.0 81.4 360.0 10.6 10.5 -11.0