==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 04-JAN-12 3VCF . COMPND 2 MOLECULE: PROBABLE INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS VIRUS 1; . AUTHOR S.OUYANG,W.LIANG,L.HUANG,Z.-J.LIU . 306 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 68.3 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 . 24 7.8 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 44.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 4 0 0 1 3 2 1 0 0 1 0 0 0 0 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 . 1 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 208 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.8 -5.3 24.3 0.5 2 177 A Y + 0 0 94 0, 0.0 105,-0.1 0, 0.0 106,-0.0 -0.656 360.0 175.1 -82.5 121.3 -4.4 25.1 4.2 3 178 A I - 0 0 59 -2,-0.5 102,-0.1 104,-0.1 101,-0.0 -0.998 33.2-119.5-118.5 124.1 -4.9 28.6 5.3 4 179 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 3,-0.0 -0.178 24.8-119.0 -56.6 152.2 -4.2 29.2 9.0 5 180 A T > - 0 0 75 1,-0.1 4,-2.0 0, 0.0 3,-0.2 -0.601 24.0-111.4 -86.7 156.6 -7.0 30.5 11.2 6 181 A L H > S+ 0 0 49 1,-0.2 4,-2.5 -2,-0.2 5,-0.1 0.876 122.2 52.2 -53.0 -38.2 -6.7 33.9 13.1 7 182 A E H > S+ 0 0 131 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.882 105.5 53.0 -68.1 -38.0 -6.6 31.9 16.3 8 183 A E H > S+ 0 0 41 1,-0.2 4,-1.3 2,-0.2 92,-0.5 0.831 111.1 48.3 -65.2 -31.3 -3.8 29.7 14.9 9 184 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.916 110.5 50.1 -71.1 -46.2 -1.9 32.9 14.2 10 185 A K H X S+ 0 0 91 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.945 110.6 49.5 -60.8 -46.0 -2.5 34.4 17.6 11 186 A R H X S+ 0 0 107 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.873 111.2 49.7 -61.5 -36.6 -1.3 31.2 19.3 12 187 A T H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.937 108.9 51.1 -68.6 -46.9 1.9 31.2 17.1 13 188 A L H X S+ 0 0 27 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.897 112.1 49.3 -53.0 -40.8 2.6 34.8 17.9 14 189 A Q H X S+ 0 0 95 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.914 109.1 49.6 -71.4 -43.2 2.3 34.0 21.6 15 190 A L H < S+ 0 0 47 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.890 114.6 47.2 -58.3 -39.8 4.5 30.9 21.5 16 191 A A H >X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-2.0 0.951 108.5 52.4 -66.3 -49.9 7.1 33.1 19.7 17 192 A K H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.839 109.0 51.0 -60.0 -33.1 6.9 36.0 22.1 18 193 A D T 3< S+ 0 0 84 -4,-1.8 274,-0.3 1,-0.2 -1,-0.3 0.520 115.1 43.5 -81.7 -4.8 7.5 33.7 25.1 19 194 A Y T <4 S- 0 0 11 -3,-2.0 2,-0.2 1,-0.3 -2,-0.2 0.739 137.9 -20.8-107.0 -37.5 10.5 32.2 23.4 20 195 A S X - 0 0 0 -4,-2.9 4,-2.2 -5,-0.1 -1,-0.3 -0.777 46.9-143.6-176.0 125.4 12.1 35.4 22.1 21 196 A E H > S+ 0 0 82 -2,-0.2 4,-1.8 1,-0.2 -4,-0.1 0.736 105.6 58.9 -70.2 -20.2 10.5 38.8 21.5 22 197 A N H > S+ 0 0 6 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.944 106.0 44.9 -71.0 -47.8 12.8 39.1 18.5 23 198 A V H > S+ 0 0 0 1,-0.2 4,-1.9 -7,-0.2 3,-0.3 0.904 111.9 55.1 -60.1 -43.2 11.4 36.0 16.9 24 199 A Y H X S+ 0 0 37 -4,-2.2 4,-2.4 -8,-0.4 -1,-0.2 0.919 103.3 54.2 -51.5 -48.4 8.0 37.2 17.7 25 200 A F H X S+ 0 0 15 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.824 105.5 54.3 -63.9 -31.4 8.6 40.5 15.9 26 201 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.940 109.9 45.5 -64.2 -48.2 9.6 38.6 12.8 27 202 A Y H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.829 111.6 55.0 -64.5 -30.4 6.3 36.7 12.9 28 203 A R H X S+ 0 0 83 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.928 108.7 44.9 -69.0 -45.6 4.5 40.0 13.5 29 204 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.4 0.836 110.0 57.6 -65.5 -31.3 6.0 41.6 10.4 30 205 A A H X S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.891 110.1 43.9 -63.8 -37.3 5.2 38.4 8.5 31 206 A L H < S+ 0 0 14 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.847 116.1 46.5 -76.6 -35.7 1.5 39.0 9.5 32 207 A E H < S+ 0 0 8 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.820 125.4 26.7 -74.0 -28.5 1.5 42.7 8.8 33 208 A S H < S- 0 0 0 -4,-2.0 41,-0.3 -5,-0.2 -3,-0.2 0.833 78.7-141.4-111.3 -42.0 3.3 42.4 5.4 34 209 A G < + 0 0 0 -4,-1.6 -4,-0.1 -5,-0.4 -3,-0.1 0.444 56.8 132.5 85.8 0.9 2.7 39.1 3.7 35 210 A V - 0 0 3 -6,-0.3 -1,-0.3 39,-0.2 93,-0.1 -0.364 62.7 -90.6 -85.2 167.3 6.3 39.0 2.4 36 211 A R >> - 0 0 74 91,-0.4 4,-1.6 1,-0.1 3,-1.3 -0.399 37.2-105.9 -81.4 155.0 8.6 36.0 2.6 37 212 A L H 3> S+ 0 0 30 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.835 115.0 59.5 -45.5 -46.2 11.0 35.5 5.5 38 213 A S H 3> S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.862 107.2 47.1 -57.0 -36.8 14.2 36.4 3.6 39 214 A E H <> S+ 0 0 7 -3,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.898 109.0 53.9 -72.1 -39.6 12.8 39.9 3.0 40 215 A I H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.893 109.2 49.0 -59.7 -39.6 11.7 40.3 6.6 41 216 A L H X S+ 0 0 18 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.883 109.4 52.9 -70.6 -35.9 15.2 39.5 7.7 42 217 A K H X S+ 0 0 70 -4,-1.7 4,-0.8 -5,-0.2 3,-0.5 0.956 111.1 45.3 -59.4 -51.5 16.7 42.0 5.3 43 218 A V H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.816 110.2 53.8 -68.0 -28.4 14.5 44.9 6.4 44 219 A L H < S+ 0 0 0 -4,-1.6 38,-1.7 1,-0.2 -1,-0.2 0.763 103.5 56.3 -79.3 -23.1 15.1 44.1 10.1 45 220 A K H < S+ 0 0 69 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.689 122.4 28.5 -73.4 -21.8 18.9 44.2 9.7 46 221 A E S >< S+ 0 0 86 -4,-0.8 3,-1.5 -3,-0.3 -1,-0.2 -0.426 70.6 157.9-135.2 64.2 18.5 47.7 8.3 47 222 A P G > + 0 0 17 0, 0.0 3,-1.4 0, 0.0 32,-0.3 0.631 63.8 76.4 -65.7 -13.0 15.4 49.1 9.9 48 223 A E G 3 S+ 0 0 116 1,-0.3 -4,-0.1 -3,-0.1 -5,-0.0 0.799 83.3 63.6 -71.9 -28.2 16.5 52.7 9.2 49 224 A R G < S+ 0 0 116 -3,-1.5 -1,-0.3 -6,-0.2 -6,-0.0 0.479 79.8 116.5 -73.8 -1.7 15.6 52.5 5.6 50 225 A D < - 0 0 25 -3,-1.4 2,-0.4 -7,-0.1 9,-0.2 -0.305 55.2-150.5 -66.0 152.3 12.0 52.1 6.6 51 226 A I E -A 58 0A 79 7,-1.0 7,-2.5 2,-0.0 2,-0.5 -0.973 9.4-166.0-129.0 117.4 9.5 54.8 5.6 52 227 A a E -A 57 0A 71 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.905 6.5-178.8-110.8 124.7 6.5 55.5 7.8 53 228 A G E > -A 56 0A 28 3,-2.5 2,-3.0 -2,-0.5 3,-1.4 -0.754 49.5 -83.5-129.4 86.7 3.7 57.6 6.5 54 229 A N T 3 S+ 0 0 175 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.227 120.6 22.4 75.1 -66.1 0.7 58.3 8.8 55 230 A D T 3 S+ 0 0 73 -2,-3.0 -1,-0.3 1,-0.3 2,-0.3 0.766 130.0 5.4-105.0 -41.9 -1.4 55.2 8.3 56 231 A V E < -A 53 0A 3 -3,-1.4 -3,-2.5 2,-0.0 -1,-0.3 -0.896 62.7-129.1-140.1 166.2 1.1 52.6 7.2 57 232 A a E -AB 52 75A 6 18,-3.8 18,-2.2 -2,-0.3 2,-0.3 -0.795 16.2-166.9-114.5 165.0 4.8 52.0 6.6 58 233 A Y E -AB 51 74A 43 -7,-2.5 -7,-1.0 -2,-0.3 16,-0.2 -0.960 10.2-155.1-154.9 131.5 6.6 50.7 3.6 59 234 A Y E - B 0 73A 0 14,-1.7 14,-2.7 -2,-0.3 2,-0.3 -0.939 23.4-132.5-113.4 114.2 10.2 49.5 3.1 60 235 A P E + B 0 72A 43 0, 0.0 2,-0.3 0, 0.0 12,-0.3 -0.485 35.3 168.0 -70.9 124.8 11.5 49.7 -0.5 61 236 A L E - B 0 71A 12 10,-3.3 10,-2.3 -2,-0.3 2,-0.4 -0.807 26.1-130.7-127.9 173.5 13.2 46.5 -1.7 62 237 A S E - B 0 70A 41 -2,-0.3 8,-0.2 8,-0.2 6,-0.1 -0.991 26.8-107.2-132.2 134.3 14.4 45.1 -5.0 63 238 A W - 0 0 30 6,-2.4 6,-0.3 -2,-0.4 3,-0.1 -0.206 30.3-179.9 -52.2 141.0 13.8 41.7 -6.5 64 239 A T + 0 0 94 1,-0.1 2,-0.9 4,-0.1 -1,-0.1 0.639 62.4 80.0-117.2 -31.8 16.9 39.5 -6.4 65 240 A R S S- 0 0 145 2,-0.1 2,-0.1 0, 0.0 -1,-0.1 -0.714 112.2 -27.5 -78.9 107.1 15.5 36.4 -8.1 66 241 A G S S+ 0 0 65 -2,-0.9 0, 0.0 -3,-0.1 0, 0.0 -0.476 121.7 4.5 88.6-158.3 15.6 37.3 -11.8 67 242 A Y S S- 0 0 150 -2,-0.1 -2,-0.1 1,-0.1 -4,-0.1 -0.300 86.7-108.1 -59.8 144.5 15.4 40.8 -13.3 68 243 A K + 0 0 168 -4,-0.1 2,-0.3 -6,-0.1 -4,-0.1 -0.290 44.7 159.6 -78.7 162.8 15.3 43.5 -10.7 69 244 A G - 0 0 17 -6,-0.3 -6,-2.4 2,-0.0 2,-0.4 -0.908 38.5 -98.8-176.7 150.0 12.3 45.6 -9.7 70 245 A V E +B 62 0A 83 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.624 43.4 155.7 -85.1 130.9 11.0 47.7 -6.9 71 246 A F E -B 61 0A 0 -10,-2.3 -10,-3.3 -2,-0.4 2,-0.4 -0.857 29.3-126.9-136.1-179.1 8.5 46.4 -4.3 72 247 A Y E -B 60 0A 50 53,-0.4 2,-1.0 -2,-0.3 56,-0.2 -0.982 9.1-135.2-134.8 137.3 7.7 47.4 -0.8 73 248 A V E -B 59 0A 0 -14,-2.7 -14,-1.7 -2,-0.4 2,-0.3 -0.839 34.6-157.1 -84.7 104.7 7.4 45.6 2.5 74 249 A F E +B 58 0A 0 -2,-1.0 2,-0.3 52,-0.5 -16,-0.3 -0.668 25.8 147.6 -84.8 140.7 4.2 47.1 3.8 75 250 A H E -B 57 0A 0 -18,-2.2 -18,-3.8 -2,-0.3 -46,-0.1 -0.962 46.1-139.0-161.4 176.2 3.6 47.1 7.5 76 251 A I S S+ 0 0 34 -2,-0.3 -1,-0.1 -20,-0.2 -18,-0.1 0.699 81.1 73.6-110.7 -36.7 2.0 49.0 10.4 77 252 A T S S- 0 0 22 -49,-0.1 -1,-0.1 -20,-0.1 -20,-0.0 -0.722 86.5-114.3 -95.2 128.9 4.5 48.7 13.1 78 253 A P - 0 0 85 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.325 43.5-106.4 -58.0 139.7 7.7 50.8 12.9 79 254 A L - 0 0 25 -32,-0.3 2,-0.3 -33,-0.1 -35,-0.0 -0.291 30.8-164.2 -74.7 151.2 10.7 48.5 12.5 80 255 A K - 0 0 80 -55,-0.0 2,-0.4 -2,-0.0 -34,-0.1 -0.882 36.3 -89.6-123.0 161.8 13.3 47.7 15.2 81 256 A R + 0 0 64 -2,-0.3 2,-0.4 -36,-0.1 -36,-0.2 -0.580 48.2 169.7 -75.4 127.3 16.7 46.1 14.6 82 257 A V - 0 0 2 -38,-1.7 2,-0.6 -2,-0.4 131,-0.2 -0.988 16.7-163.8-137.7 128.7 16.7 42.3 14.7 83 258 A E B +C 212 0B 79 129,-4.3 129,-1.9 -2,-0.4 2,-0.3 -0.840 36.4 125.2-119.0 93.0 19.6 40.2 13.6 84 259 A V - 0 0 2 -2,-0.6 2,-0.2 127,-0.2 127,-0.1 -0.953 44.8-134.3-136.5 161.3 18.7 36.6 13.0 85 260 A T >> - 0 0 46 123,-0.6 4,-1.1 125,-0.4 3,-0.7 -0.583 41.2 -95.4-102.0 174.6 19.1 34.0 10.3 86 261 A K H 3> S+ 0 0 121 1,-0.2 4,-2.6 -2,-0.2 5,-0.1 0.718 121.7 69.0 -60.4 -19.9 16.4 31.6 9.0 87 262 A W H 3> S+ 0 0 125 121,-0.3 4,-3.0 2,-0.2 5,-0.3 0.905 92.0 55.2 -71.1 -40.6 18.0 29.1 11.4 88 263 A A H <> S+ 0 0 2 -3,-0.7 4,-1.9 120,-0.5 -1,-0.2 0.940 112.4 45.4 -50.0 -45.8 16.8 30.9 14.4 89 264 A I H X S+ 0 0 5 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.930 111.1 52.0 -65.3 -45.5 13.3 30.6 12.9 90 265 A A H X S+ 0 0 41 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.886 109.3 50.0 -57.7 -43.1 14.0 26.9 12.0 91 266 A D H X S+ 0 0 13 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.903 108.9 53.1 -61.4 -41.8 15.0 26.1 15.6 92 267 A F H < S+ 0 0 0 -4,-1.9 4,-0.3 -5,-0.3 -2,-0.2 0.897 112.1 42.9 -64.9 -39.7 11.9 27.9 16.9 93 268 A E H >< S+ 0 0 49 -4,-2.0 3,-0.7 1,-0.2 6,-0.3 0.835 109.6 56.9 -77.4 -32.3 9.5 25.8 14.8 94 269 A R H 3< S+ 0 0 148 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.862 109.6 47.4 -62.6 -34.3 11.3 22.6 15.5 95 270 A R T 3< S+ 0 0 54 -4,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.505 115.8 46.3 -88.0 -5.6 10.8 23.2 19.1 96 271 A H X + 0 0 38 -3,-0.7 3,-1.9 -4,-0.3 -1,-0.2 -0.738 58.4 178.0-138.1 90.1 7.1 24.0 18.7 97 272 A K T 3 S+ 0 0 189 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.787 84.9 55.0 -64.2 -24.7 5.2 21.6 16.5 98 273 A D T 3 S+ 0 0 68 2,-0.1 2,-0.5 -87,-0.0 -1,-0.3 0.291 83.7 100.9 -97.6 13.3 2.0 23.5 17.1 99 274 A A S < S- 0 0 9 -3,-1.9 2,-0.3 -6,-0.3 -3,-0.1 -0.855 82.3-117.2 -91.8 128.3 3.4 26.8 15.9 100 275 A I - 0 0 13 -2,-0.5 5,-0.1 -92,-0.5 -2,-0.1 -0.512 34.4-106.0 -69.1 123.9 2.3 27.5 12.3 101 276 A A > - 0 0 23 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.195 26.8-122.1 -49.4 138.5 5.3 27.7 10.0 102 277 A I T >> S+ 0 0 15 1,-0.3 3,-1.8 2,-0.2 4,-0.6 0.805 108.4 68.8 -61.7 -29.0 6.0 31.3 9.1 103 278 A K H >> S+ 0 0 106 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.790 93.6 60.1 -59.3 -25.4 5.7 30.5 5.4 104 279 A Y H <> S+ 0 0 82 -3,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.621 84.9 75.3 -79.6 -12.8 2.0 30.0 6.1 105 280 A F H <> S+ 0 0 0 -3,-1.8 4,-2.5 -4,-0.4 -1,-0.2 0.879 91.8 57.4 -63.9 -36.6 1.5 33.5 7.3 106 281 A R H S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 -1,-0.2 0.872 106.2 54.8 -63.8 -33.5 -6.8 40.6 1.4 114 289 A A H ><5S+ 0 0 55 -4,-1.9 3,-2.8 -5,-0.3 -1,-0.2 0.963 104.9 51.7 -58.6 -53.0 -9.0 38.6 -1.0 115 290 A E H 3<5S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.739 107.8 53.2 -57.2 -25.2 -11.9 38.9 1.5 116 291 A L T 3<5S- 0 0 45 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.209 122.5-112.8 -92.8 13.0 -11.3 42.7 1.5 117 292 A S T < 5 + 0 0 96 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.789 57.0 163.1 59.9 33.6 -11.5 42.5 -2.3 118 293 A V < - 0 0 6 -5,-3.1 -1,-0.2 -6,-0.1 5,-0.1 -0.712 47.8-110.3 -75.1 126.8 -7.8 43.4 -2.9 119 294 A P >> - 0 0 47 0, 0.0 4,-2.1 0, 0.0 3,-1.1 -0.331 22.7-120.4 -66.7 147.1 -7.3 42.4 -6.5 120 295 A L H 3> S+ 0 0 117 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.832 110.5 55.7 -63.2 -35.3 -5.0 39.4 -6.8 121 296 A D H 3> S+ 0 0 55 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.845 110.6 47.5 -65.9 -29.2 -2.4 41.0 -8.9 122 297 A I H <> S+ 0 0 1 -3,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.872 108.3 53.5 -78.9 -36.8 -2.1 43.6 -6.2 123 298 A I H X S+ 0 0 5 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.935 109.1 51.2 -56.5 -46.5 -1.9 41.0 -3.5 124 299 A D H <>S+ 0 0 23 -4,-2.7 5,-2.9 1,-0.2 -2,-0.2 0.884 112.2 45.6 -55.8 -43.6 0.9 39.4 -5.5 125 300 A F H ><5S+ 0 0 21 -4,-1.5 3,-1.6 1,-0.2 -53,-0.4 0.905 109.3 53.7 -72.4 -41.5 2.8 42.8 -5.6 126 301 A I H 3<5S+ 0 0 0 -4,-2.9 -52,-0.5 1,-0.3 -1,-0.2 0.846 108.4 52.1 -58.4 -32.9 2.2 43.6 -1.9 127 302 A Q T 3<5S- 0 0 6 -4,-1.7 -91,-0.4 -5,-0.2 -1,-0.3 0.337 121.6-106.7 -92.0 8.4 3.8 40.2 -1.1 128 303 A G T < 5S+ 0 0 9 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.754 70.2 144.1 76.1 25.2 6.8 40.9 -3.2 129 304 A R < - 0 0 81 -5,-2.9 -1,-0.2 -6,-0.2 3,-0.1 -0.694 52.1-109.6 -94.6 150.6 6.0 38.5 -6.0 130 305 A K - 0 0 53 -2,-0.3 -1,-0.1 1,-0.1 -61,-0.0 -0.429 45.3 -90.3 -74.5 151.1 6.8 39.1 -9.7 131 306 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -10,-0.0 -0.295 24.9-150.3 -62.0 146.6 3.8 39.8 -12.1 132 307 A T S S+ 0 0 99 -3,-0.1 2,-0.4 1,-0.1 3,-0.1 0.630 82.5 53.2 -93.0 -17.3 2.3 36.7 -13.7 133 308 A R S S- 0 0 178 1,-0.1 3,-0.2 -12,-0.0 -1,-0.1 -0.934 72.0-143.5-118.9 138.3 1.3 38.7 -16.8 134 309 A V S S+ 0 0 142 -2,-0.4 2,-1.3 1,-0.2 -1,-0.1 0.886 100.7 59.3 -63.1 -37.8 3.6 40.9 -19.0 135 310 A L S S- 0 0 150 -3,-0.1 -1,-0.2 2,-0.0 4,-0.0 -0.653 86.3-159.5 -97.3 80.5 0.6 43.2 -19.4 136 311 A T - 0 0 62 -2,-1.3 3,-0.2 -3,-0.2 -2,-0.1 -0.152 17.8-135.2 -55.7 149.5 -0.1 44.2 -15.8 137 312 A Q S S+ 0 0 144 1,-0.2 2,-0.7 2,-0.1 -1,-0.1 0.824 95.7 53.1 -77.2 -31.4 -3.5 45.6 -15.1 138 313 A H + 0 0 35 1,-0.2 -1,-0.2 4,-0.0 4,-0.1 -0.754 55.0 153.7-112.2 87.2 -2.2 48.4 -12.9 139 314 A Y + 0 0 193 -2,-0.7 3,-0.5 -3,-0.2 2,-0.3 0.824 58.5 68.3 -84.1 -34.6 0.4 50.4 -14.8 140 315 A V S S- 0 0 110 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.919 111.9 -8.1-125.4 156.5 -0.2 53.7 -12.9 141 316 A S > + 0 0 76 -2,-0.3 4,-2.5 -3,-0.1 5,-0.3 0.392 67.7 169.7-101.4 110.9 0.3 54.4 -10.1 142 317 A L H > S+ 0 0 58 -3,-0.5 4,-2.9 1,-0.2 5,-0.3 0.900 79.4 49.5 -60.9 -45.1 1.3 51.0 -8.8 143 318 A F H > S+ 0 0 53 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.937 113.2 47.6 -55.1 -49.9 2.6 52.2 -5.4 144 319 A G H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 113.3 46.7 -57.8 -46.9 -0.5 54.2 -4.8 145 320 A I H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.924 115.2 47.3 -61.7 -46.5 -2.9 51.4 -5.8 146 321 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 -2,-0.2 0.926 112.5 50.0 -60.3 -44.8 -0.9 49.0 -3.7 147 322 A K H X S+ 0 0 39 -4,-3.1 4,-2.5 -5,-0.3 -2,-0.2 0.930 111.9 45.8 -63.6 -45.8 -0.9 51.4 -0.7 148 323 A E H X S+ 0 0 94 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.891 114.5 49.0 -66.2 -38.0 -4.6 52.1 -0.7 149 324 A Q H >X S+ 0 0 36 -4,-2.3 3,-1.1 -5,-0.2 4,-0.8 0.916 111.7 49.6 -63.6 -40.5 -5.3 48.4 -1.1 150 325 A Y H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 3,-0.7 0.865 97.5 67.5 -70.0 -36.2 -3.0 47.6 1.8 151 326 A K H 3X S+ 0 0 49 -4,-2.5 4,-1.8 1,-0.2 -1,-0.3 0.723 96.6 57.5 -54.7 -22.0 -4.6 50.3 4.0 152 327 A K H X S+ 0 0 56 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.970 113.2 47.8 -55.9 -54.3 -8.8 45.1 9.5 157 332 A L H >< S+ 0 0 25 -4,-3.3 3,-0.8 1,-0.3 -2,-0.2 0.840 107.2 56.8 -57.6 -37.8 -5.6 44.0 11.3 158 333 A K H 3< S+ 0 0 98 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.773 111.6 41.9 -66.6 -27.8 -5.8 46.9 13.7 159 334 A G H << 0 0 61 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.385 360.0 360.0 -99.1 1.7 -9.3 46.0 14.8 160 335 A V << 0 0 104 -3,-0.8 -1,-0.1 -4,-0.5 -2,-0.1 -0.225 360.0 360.0 58.4 360.0 -8.2 42.3 14.9 161 !* 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 0.0 162 177 B Y 0 0 154 0, 0.0 101,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.7 36.4 32.4 46.4 163 178 B I - 0 0 78 100,-0.1 98,-0.1 101,-0.0 2,-0.1 -0.925 360.0-122.9-104.7 137.3 35.1 34.9 43.9 164 179 B P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 92,-0.0 -0.371 26.8-113.5 -70.2 159.4 37.6 36.5 41.6 165 180 B T > - 0 0 58 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.579 20.6-114.8 -91.4 158.7 38.0 40.3 41.4 166 181 B L H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 120.5 56.1 -54.3 -36.0 37.1 42.5 38.5 167 182 B E H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 107.6 45.3 -64.8 -44.9 40.8 43.2 38.3 168 183 B E H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 88,-0.3 0.928 112.8 52.6 -63.7 -43.6 41.7 39.5 38.1 169 184 B I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.915 111.2 45.4 -56.1 -47.5 39.0 39.0 35.5 170 185 B K H X S+ 0 0 79 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.876 111.0 52.6 -69.3 -36.2 40.3 41.9 33.3 171 186 B R H X S+ 0 0 109 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.936 108.8 50.6 -63.7 -46.9 43.9 40.7 33.5 172 187 B T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.911 109.8 50.5 -55.6 -46.4 42.9 37.2 32.4 173 188 B L H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.903 110.2 50.5 -58.9 -40.6 41.0 38.7 29.5 174 189 B Q H X S+ 0 0 102 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.949 111.3 47.3 -63.5 -47.5 44.1 40.8 28.6 175 190 B L H X S+ 0 0 42 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.891 113.6 47.8 -58.1 -43.2 46.4 37.7 28.8 176 191 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 8,-0.6 0.890 108.7 56.2 -65.4 -37.1 43.9 35.7 26.6 177 192 B K H < S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.943 110.3 43.5 -57.1 -48.3 43.8 38.7 24.3 178 193 B D H < S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.657 115.6 51.5 -73.1 -14.7 47.6 38.5 23.8 179 194 B Y H < S- 0 0 87 -4,-0.9 2,-0.3 -3,-0.4 -2,-0.2 0.952 124.0 -33.5 -91.0 -61.4 47.5 34.7 23.5 180 195 B S X - 0 0 41 -4,-2.3 4,-2.2 1,-0.1 -1,-0.3 -0.977 41.5-126.2-159.2 157.5 44.9 34.1 20.8 181 196 B E H > S+ 0 0 70 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.866 109.9 54.6 -74.3 -36.1 41.6 35.5 19.6 182 197 B N H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.950 112.8 41.9 -58.3 -51.5 39.8 32.2 19.9 183 198 B V H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.923 115.0 51.9 -64.2 -43.4 40.7 31.8 23.6 184 199 B Y H X S+ 0 0 48 -4,-2.2 4,-2.4 -8,-0.6 -2,-0.2 0.940 109.4 49.2 -55.2 -48.9 40.1 35.5 24.2 185 200 B F H X S+ 0 0 7 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.857 107.4 54.8 -64.3 -36.2 36.6 35.3 22.7 186 201 B I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.924 111.2 44.0 -64.7 -43.0 35.7 32.3 24.7 187 202 B Y H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.885 110.7 56.3 -66.8 -37.0 36.6 34.1 28.0 188 203 B R H X S+ 0 0 37 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.930 111.5 42.1 -62.3 -43.9 34.7 37.2 26.7 189 204 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.886 109.8 58.4 -69.4 -38.5 31.6 35.1 26.2 190 205 B A H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.914 110.3 44.2 -52.5 -43.9 32.1 33.4 29.5 191 206 B L H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 115.7 46.5 -72.2 -39.4 32.1 36.8 31.2 192 207 B E H < S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.845 125.7 26.6 -70.6 -32.5 29.0 38.0 29.3 193 208 B S H < S- 0 0 1 -4,-2.7 37,-0.3 -5,-0.1 -2,-0.2 0.673 82.1-143.0-109.0 -23.7 26.9 35.0 29.7 194 209 B G < + 0 0 0 -4,-2.0 2,-0.2 -5,-0.4 -4,-0.1 0.699 55.8 131.8 60.0 23.2 28.0 33.3 32.9 195 210 B V - 0 0 6 -6,-0.3 -1,-0.2 35,-0.1 89,-0.1 -0.525 62.2 -79.2-101.3 173.0 27.4 29.8 31.4 196 211 B R > - 0 0 116 87,-0.4 4,-2.2 -2,-0.2 3,-0.4 -0.289 36.2-116.2 -69.6 151.7 29.6 26.7 31.3 197 212 B L H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.882 114.9 55.7 -52.5 -45.2 32.5 26.2 28.9 198 213 B S H > S+ 0 0 25 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.911 109.0 48.4 -58.8 -37.8 30.9 23.3 27.1 199 214 B E H > S+ 0 0 19 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.901 109.9 51.0 -70.5 -40.1 27.8 25.5 26.4 200 215 B I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.908 108.3 52.5 -60.3 -42.6 29.9 28.3 25.1 201 216 B L H X S+ 0 0 19 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.798 106.5 55.3 -67.4 -27.4 31.7 25.9 22.8 202 217 B K H >X S+ 0 0 77 -4,-1.3 4,-1.0 -5,-0.2 3,-0.5 0.934 108.3 45.4 -67.1 -48.1 28.3 24.8 21.5 203 218 B V H 3< S+ 0 0 0 -4,-1.9 6,-0.2 1,-0.2 -2,-0.2 0.811 110.6 55.2 -69.2 -26.7 27.1 28.2 20.5 204 219 B L H 3< S+ 0 0 0 -4,-1.7 34,-1.7 1,-0.2 -1,-0.2 0.729 100.1 59.0 -80.4 -20.2 30.4 29.0 18.9 205 220 B K H << S+ 0 0 109 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.824 122.3 24.3 -71.9 -31.9 30.3 26.0 16.6 206 221 B E >< + 0 0 82 -4,-1.0 3,-1.6 1,-0.1 -1,-0.2 -0.527 68.8 159.7-134.4 69.4 27.0 27.2 15.1 207 222 B P G > + 0 0 21 0, 0.0 3,-1.8 0, 0.0 28,-0.2 0.617 63.5 80.8 -68.6 -13.1 26.8 31.0 15.6 208 223 B E G 3 S+ 0 0 53 1,-0.3 -123,-0.6 -3,-0.1 -120,-0.5 0.647 84.7 62.5 -69.9 -13.1 24.2 31.4 12.8 209 224 B R G < S+ 0 0 40 -3,-1.6 -1,-0.3 -6,-0.2 2,-0.1 0.443 79.8 116.3 -89.1 -0.6 21.6 30.3 15.4 210 225 B D < - 0 0 14 -3,-1.8 2,-0.5 -7,-0.1 -125,-0.4 -0.367 56.4-144.8 -68.0 146.7 22.3 33.4 17.6 211 226 B I E - D 0 218B 0 7,-1.7 7,-2.4 -127,-0.1 2,-0.4 -0.963 18.0-178.0-117.1 122.5 19.6 36.0 18.1 212 227 B b E +CD 83 217B 14 -129,-1.9 -129,-4.3 -2,-0.5 5,-0.2 -0.974 13.5 175.5-126.7 136.0 20.4 39.7 18.3 213 228 B G E > - D 0 216B 14 3,-2.0 2,-2.4 -2,-0.4 3,-0.6 -0.473 59.7 -86.1-138.8 62.0 18.1 42.6 19.0 214 229 B N T 3 S+ 0 0 98 1,-0.3 3,-0.1 -134,-0.1 -132,-0.1 -0.323 120.1 28.0 77.8 -59.4 20.0 45.8 19.3 215 230 B D T 3 S+ 0 0 105 -2,-2.4 2,-0.3 1,-0.3 -1,-0.3 0.830 122.9 27.5-103.7 -41.3 20.9 45.8 23.0 216 231 B V E < -D 213 0B 4 -3,-0.6 -3,-2.0 2,-0.0 2,-0.3 -0.927 58.8-158.2-124.8 146.1 21.1 42.1 24.0 217 232 B b E +DE 212 231B 7 14,-3.3 14,-2.6 -2,-0.3 2,-0.3 -0.873 12.8 179.6-111.9 158.0 21.8 38.8 22.2 218 233 B Y E -DE 211 230B 0 -7,-2.4 -7,-1.7 -2,-0.3 12,-0.2 -0.968 18.5-154.6-157.4 145.2 20.8 35.3 23.2 219 234 B Y E - E 0 229B 0 10,-1.3 10,-2.1 -2,-0.3 2,-0.1 -0.965 22.6-137.8-122.1 111.0 21.3 31.8 21.9 220 235 B P E - E 0 228B 2 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.487 25.7-178.0 -71.0 140.2 18.6 29.3 22.9 221 236 B L E - E 0 227B 5 6,-3.3 6,-2.9 -2,-0.1 2,-0.2 -0.971 25.5-117.9-132.8 152.2 19.9 25.8 23.9 222 237 B S E E 0 226B 62 -2,-0.3 4,-0.2 4,-0.2 0, 0.0 -0.558 360.0 360.0 -79.7 151.2 18.2 22.6 25.0 223 238 B W 0 0 102 2,-1.0 -1,-0.1 -2,-0.2 62,-0.0 -0.687 360.0 360.0 -78.1 360.0 19.0 21.2 28.5 224 ! 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 0.0 225 244 B G 0 0 83 0, 0.0 -2,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-175.3 12.6 23.0 27.2 226 245 B V E -E 222 0B 18 -4,-0.2 2,-0.3 -6,-0.0 -4,-0.2 -0.939 360.0-168.2-128.5 143.9 15.2 25.7 26.4 227 246 B F E -E 221 0B 5 -6,-2.9 -6,-3.3 -2,-0.4 2,-0.4 -0.766 24.8-123.9-115.2 178.8 17.6 27.9 28.3 228 247 B Y E -E 220 0B 4 53,-0.4 2,-0.9 -8,-0.3 56,-0.2 -0.945 6.2-143.2-130.0 140.8 19.5 30.9 26.8 229 248 B V E -E 219 0B 0 -10,-2.1 -10,-1.3 -2,-0.4 2,-0.2 -0.875 33.0-159.0 -96.5 97.1 23.1 31.9 26.6 230 249 B F E +E 218 0B 0 -2,-0.9 2,-0.3 52,-0.4 -12,-0.3 -0.565 24.4 147.0 -80.5 142.4 22.7 35.7 27.0 231 250 B H E -E 217 0B 0 -14,-2.6 -14,-3.3 -2,-0.2 -42,-0.1 -0.956 43.9-142.6-160.0 173.5 25.5 38.0 25.7 232 251 B I S S+ 0 0 40 -2,-0.3 -1,-0.1 -16,-0.2 -14,-0.1 0.613 79.1 80.2-117.6 -25.0 26.1 41.4 24.2 233 252 B T S S- 0 0 40 -45,-0.1 -16,-0.0 -16,-0.1 -41,-0.0 -0.708 87.4-114.6 -83.5 131.2 28.9 40.7 21.7 234 253 B P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.355 38.8-105.1 -62.1 148.8 27.8 39.1 18.4 235 254 B L - 0 0 25 -28,-0.2 2,-0.4 -4,-0.1 -25,-0.1 -0.498 31.3-168.1 -81.9 143.1 29.0 35.6 17.9 236 255 B K - 0 0 82 -2,-0.2 -30,-0.1 -51,-0.0 2,-0.1 -0.964 37.7 -91.9-122.6 149.7 31.8 34.5 15.6 237 256 B R + 0 0 129 -2,-0.4 2,-0.4 -32,-0.1 -32,-0.2 -0.318 45.9 175.5 -60.0 128.0 32.6 31.0 14.6 238 257 B V - 0 0 2 -34,-1.7 2,-0.8 -37,-0.1 -32,-0.1 -0.943 11.0-168.6-137.2 115.2 35.2 29.4 16.9 239 258 B E + 0 0 124 -2,-0.4 2,-0.3 -34,-0.1 -57,-0.0 -0.800 39.8 109.8-110.9 90.9 36.2 25.8 16.4 240 259 B V - 0 0 43 -2,-0.8 2,-0.2 -39,-0.1 -2,-0.1 -0.886 52.9-126.9-141.2 174.8 38.3 24.5 19.3 241 260 B T >> - 0 0 101 -2,-0.3 3,-1.6 1,-0.0 4,-0.6 -0.657 43.0 -83.2-118.4-179.8 37.7 22.1 22.1 242 261 B K H >> S+ 0 0 105 1,-0.3 4,-2.4 -2,-0.2 3,-0.8 0.792 118.9 72.9 -56.2 -31.9 38.2 22.4 25.9 243 262 B W H 3> S+ 0 0 138 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.873 88.6 60.9 -52.4 -39.8 41.9 21.6 25.5 244 263 B A H <> S+ 0 0 20 -3,-1.6 4,-2.0 1,-0.2 -1,-0.3 0.904 109.9 42.1 -52.6 -43.6 42.5 25.1 24.0 245 264 B I H < S+ 0 0 44 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.889 106.3 51.5 -62.7 -42.3 45.3 28.1 31.6 250 269 B R H 3< S+ 0 0 140 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.806 109.3 51.7 -66.5 -27.5 48.3 25.9 32.4 251 270 B R T 3< S+ 0 0 150 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.346 116.6 41.3 -90.2 3.4 50.6 28.4 30.7 252 271 B H < + 0 0 39 -3,-1.4 3,-0.5 -4,-0.2 -1,-0.3 -0.617 63.7 163.5-145.8 78.7 49.2 31.3 32.8 253 272 B K S S+ 0 0 166 -3,-0.3 4,-0.1 1,-0.2 -3,-0.1 0.704 75.7 60.4 -78.7 -15.1 48.7 30.0 36.3 254 273 B D S S+ 0 0 101 2,-0.1 -1,-0.2 -3,-0.1 -82,-0.1 0.767 94.3 82.2 -77.8 -27.3 48.4 33.5 37.7 255 274 B A S S- 0 0 13 -3,-0.5 2,-0.4 -6,-0.2 -86,-0.1 0.007 92.9 -92.3 -66.2-179.7 45.3 34.1 35.5 256 275 B I - 0 0 9 -88,-0.3 2,-0.1 -87,-0.1 -1,-0.1 -0.829 32.8-119.4-104.6 132.5 41.8 32.9 36.4 257 276 B A >> - 0 0 20 -2,-0.4 3,-2.4 1,-0.1 4,-0.5 -0.489 27.0-119.8 -68.9 143.2 40.4 29.5 35.3 258 277 B I H >> S+ 0 0 16 1,-0.3 3,-1.2 2,-0.2 4,-1.0 0.791 110.2 69.3 -58.7 -26.4 37.4 29.9 33.1 259 278 B K H 3> S+ 0 0 104 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.787 96.3 54.9 -62.6 -25.7 35.3 28.0 35.6 260 279 B Y H <> S+ 0 0 73 -3,-2.4 4,-2.2 2,-0.2 -1,-0.3 0.648 90.9 70.4 -85.1 -17.6 35.7 30.9 38.0 261 280 B F H S+ 0 0 1 -4,-2.7 5,-2.8 -5,-0.2 -1,-0.2 0.832 107.8 53.9 -69.7 -28.0 24.3 39.6 39.1 270 289 B A H ><5S+ 0 0 50 -4,-1.9 3,-2.1 -5,-0.2 -2,-0.2 0.949 108.5 47.8 -65.4 -49.8 23.5 39.1 42.8 271 290 B E H 3<5S+ 0 0 122 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.836 106.9 58.5 -55.3 -34.6 24.8 42.6 43.6 272 291 B L T 3<5S- 0 0 41 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.370 122.1-111.0 -80.1 4.4 22.8 43.8 40.6 273 292 B S T < 5 + 0 0 95 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.701 61.0 157.7 72.1 26.2 19.7 42.4 42.4 274 293 B V < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.1 5,-0.1 -0.705 49.4-108.3 -80.9 124.4 19.0 39.6 40.0 275 294 B P >> - 0 0 67 0, 0.0 4,-2.5 0, 0.0 3,-0.8 -0.211 22.4-119.0 -57.6 143.0 16.9 37.0 41.8 276 295 B L H 3> S+ 0 0 116 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.843 113.3 51.3 -50.0 -43.5 18.7 33.8 42.7 277 296 B D H 3> S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.817 111.0 48.7 -68.5 -30.8 16.3 31.6 40.6 278 297 B I H <> S+ 0 0 12 -3,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.888 107.9 53.7 -74.6 -39.9 16.8 33.9 37.6 279 298 B I H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.909 108.6 51.2 -57.5 -40.8 20.6 33.8 38.0 280 299 B D H <>S+ 0 0 45 -4,-2.1 5,-3.0 -5,-0.2 -1,-0.2 0.931 111.6 46.3 -61.3 -47.2 20.4 30.0 37.9 281 300 B F H ><5S+ 0 0 8 -4,-1.6 3,-1.5 3,-0.2 -53,-0.4 0.913 111.2 51.0 -63.0 -45.8 18.4 30.0 34.8 282 301 B I H 3<5S+ 0 0 1 -4,-2.9 -52,-0.4 1,-0.3 -1,-0.2 0.893 111.0 49.4 -58.6 -40.1 20.6 32.6 33.1 283 302 B Q T 3<5S- 0 0 10 -4,-2.2 -87,-0.4 -5,-0.2 -1,-0.3 0.389 119.8-113.5 -82.6 2.6 23.6 30.4 33.9 284 303 B G T < 5 + 0 0 23 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.891 64.2 149.9 69.7 41.1 21.8 27.4 32.5 285 304 B R < 0 0 111 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.943 360.0 360.0-112.4 124.4 21.4 25.6 35.8 286 305 B K 0 0 201 -2,-0.5 -1,-0.0 -5,-0.0 -5,-0.0 0.003 360.0 360.0 -62.3 360.0 18.3 23.3 36.2 287 ! 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 0.0 288 314 B Y 0 0 178 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.9 7.4 24.7 34.2 289 315 B V - 0 0 117 2,-0.0 2,-0.1 1,-0.0 0, 0.0 -0.948 360.0 -92.8-117.7 137.5 6.8 28.1 32.7 290 316 B S - 0 0 49 -2,-0.4 3,-0.4 1,-0.1 4,-0.2 -0.242 27.7-164.2 -54.5 123.7 9.4 29.9 30.5 291 317 B L > + 0 0 50 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.262 63.1 103.3 -90.5 15.0 11.7 32.2 32.5 292 318 B F H > S+ 0 0 1 -274,-0.3 4,-3.1 2,-0.2 5,-0.3 0.930 73.6 53.0 -64.9 -50.5 12.9 33.9 29.4 293 319 B G H > S+ 0 0 47 -3,-0.4 4,-1.7 -275,-0.2 -1,-0.2 0.896 117.0 38.8 -53.4 -45.2 10.9 37.1 29.6 294 320 B I H > S+ 0 0 90 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.885 114.4 54.0 -72.1 -41.1 12.1 37.7 33.1 295 321 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.897 109.6 48.0 -64.7 -40.0 15.7 36.5 32.4 296 322 B K H X S+ 0 0 26 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.930 111.5 49.8 -64.0 -45.8 16.0 38.9 29.5 297 323 B E H X S+ 0 0 109 -4,-1.7 4,-0.5 -5,-0.3 -2,-0.2 0.908 116.1 42.6 -59.4 -44.4 14.7 41.9 31.5 298 324 B Q H >X S+ 0 0 22 -4,-2.5 3,-0.9 1,-0.2 4,-0.9 0.820 106.2 60.9 -72.9 -34.7 17.1 41.1 34.3 299 325 B Y H 3X S+ 0 0 2 -4,-2.4 4,-3.4 1,-0.3 3,-0.4 0.819 91.1 70.5 -64.4 -27.3 20.1 40.4 32.1 300 326 B K H 3X S+ 0 0 76 -4,-1.4 4,-2.0 1,-0.2 -1,-0.3 0.888 93.4 56.4 -56.4 -37.3 19.7 44.0 30.8 301 327 B K H < S+ 0 0 128 -4,-2.0 3,-0.9 -5,-0.3 -1,-0.2 0.906 107.9 49.9 -69.5 -42.3 24.5 47.6 31.3 305 331 B W H 3< S+ 0 0 53 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.821 99.9 66.1 -65.0 -30.0 27.2 46.9 33.8 306 332 B L H 3< S+ 0 0 3 -4,-2.0 3,-0.5 3,-0.1 2,-0.4 0.762 82.4 90.8 -64.3 -24.3 29.3 45.2 31.1 307 333 B K S << S+ 0 0 138 -3,-0.9 -3,-0.0 -4,-0.6 0, 0.0 -0.619 98.1 12.2 -75.5 125.2 29.6 48.6 29.4 308 334 B G 0 0 82 -2,-0.4 -1,-0.2 1,-0.2 -4,-0.0 0.992 360.0 360.0 68.3 64.6 32.7 50.4 30.7 309 335 B V 0 0 58 -3,-0.5 -1,-0.2 -139,-0.0 -3,-0.1 -0.651 360.0 360.0 -75.4 360.0 34.3 47.4 32.5