==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 21-SEP-11 3TW0 . COMPND 2 MOLECULE: CELL WALL SURFACE ANCHOR FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP V; . AUTHOR V.KRISHNAN,S.V.L.NARAYANA . 1439 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 935 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 132 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.6 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 10 2 0 4 1 7 6 4 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 0 0 4 8 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 . 39 13 4 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 5 4 4 0 0 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 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 1 220 A Q 0 0 164 0, 0.0 155,-0.1 0, 0.0 154,-0.0 0.000 360.0 360.0 360.0 145.7 38.3 46.7 28.7 2 221 A P - 0 0 42 0, 0.0 155,-2.4 0, 0.0 2,-0.5 -0.267 360.0-118.5 -68.5 160.6 35.6 44.3 27.6 3 222 A L E -a 157 0A 9 153,-0.2 44,-2.1 37,-0.1 2,-0.6 -0.897 16.7-162.0-110.5 128.0 31.9 45.2 28.1 4 223 A D E -ab 158 47A 0 153,-3.0 155,-2.7 -2,-0.5 2,-0.5 -0.950 18.2-169.4-102.7 119.6 29.4 43.2 30.3 5 224 A V E -ab 159 48A 0 42,-2.9 44,-1.7 -2,-0.6 2,-0.6 -0.940 15.3-163.3-117.1 129.1 25.8 44.1 29.4 6 225 A V E -ab 160 49A 0 153,-3.1 155,-2.6 -2,-0.5 2,-0.5 -0.942 14.8-149.6-103.2 121.1 22.6 43.3 31.2 7 226 A V E -ab 161 50A 0 42,-3.1 44,-3.6 -2,-0.6 2,-0.6 -0.766 5.5-158.4 -84.3 127.3 19.4 43.7 29.1 8 227 A L E -ab 162 51A 0 153,-3.1 155,-3.2 -2,-0.5 2,-0.5 -0.956 11.3-169.3-104.4 115.9 16.4 44.7 31.1 9 228 A L E -ab 163 52A 3 42,-3.0 44,-2.7 -2,-0.6 2,-0.4 -0.946 15.0-144.6-115.1 116.3 13.2 43.8 29.2 10 229 A D E + b 0 53A 1 153,-2.7 44,-0.2 -2,-0.5 19,-0.1 -0.619 24.3 169.4 -73.1 117.3 9.8 45.0 30.4 11 230 A N + 0 0 4 42,-3.4 110,-0.5 -2,-0.4 43,-0.1 -0.078 26.4 142.0-120.6 30.6 7.2 42.3 29.6 12 231 A S > - 0 0 0 41,-0.2 3,-2.0 42,-0.1 4,-0.2 -0.192 68.6-101.6 -67.8 165.7 4.3 43.8 31.6 13 232 A N G > S+ 0 0 16 120,-2.4 3,-2.1 1,-0.3 6,-0.2 0.839 120.6 66.1 -56.5 -34.6 0.7 43.7 30.4 14 233 A S G 3 S+ 0 0 6 119,-0.5 -1,-0.3 1,-0.3 11,-0.2 0.708 94.3 62.1 -60.5 -17.2 0.9 47.3 29.2 15 234 A M G < S+ 0 0 0 -3,-2.0 11,-2.1 10,-0.1 -1,-0.3 0.557 71.9 128.9 -88.3 -8.0 3.5 46.0 26.7 16 235 A N S X S- 0 0 10 -3,-2.1 3,-1.3 -4,-0.2 9,-0.5 -0.191 70.8-119.5 -45.8 137.0 0.9 43.7 24.9 17 236 A N T 3 S+ 0 0 22 1,-0.3 7,-2.0 103,-0.2 8,-0.1 0.756 110.1 57.3 -59.8 -28.2 1.0 44.5 21.2 18 237 A E T 3> S+ 0 0 111 4,-0.2 4,-3.1 5,-0.1 -1,-0.3 0.805 85.7 105.8 -67.3 -32.4 -2.7 45.6 21.0 19 238 A R H <> S+ 0 0 68 -3,-1.3 4,-2.3 2,-0.2 5,-0.3 -0.015 76.2 22.2 -55.8 157.5 -2.2 48.4 23.7 20 239 A A H 4 S- 0 0 29 2,-0.2 -1,-0.2 1,-0.2 -6,-0.0 0.924 141.9 -50.4 46.7 52.6 -2.0 52.1 22.8 21 240 A N H 4 S- 0 0 148 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.940 112.4 -45.3 57.1 55.4 -3.9 51.5 19.5 22 241 A N H < S+ 0 0 102 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.863 81.1 160.1 52.3 48.4 -1.6 48.7 18.3 23 242 A S < - 0 0 40 -4,-2.3 -5,-0.1 -7,-0.2 -3,-0.1 0.548 45.3-136.2 -70.4 -9.1 1.7 50.3 19.2 24 243 A Q > + 0 0 97 -7,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.863 38.7 168.9 52.1 46.6 3.2 46.8 19.1 25 244 A R H > + 0 0 1 -9,-0.5 4,-2.7 -6,-0.3 5,-0.2 0.930 69.2 41.2 -53.7 -54.6 5.2 47.5 22.3 26 245 A A H > S+ 0 0 4 -11,-2.1 4,-2.8 1,-0.2 93,-0.2 0.880 114.6 50.2 -68.1 -41.8 6.4 43.9 23.0 27 246 A L H > S+ 0 0 46 -12,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 115.7 43.9 -58.7 -47.7 7.2 43.0 19.4 28 247 A K H X S+ 0 0 56 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.868 113.2 50.6 -68.9 -38.6 9.3 46.2 19.0 29 248 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.934 110.6 49.8 -62.9 -46.3 10.9 45.8 22.4 30 249 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.883 111.1 49.4 -60.1 -38.7 11.9 42.3 21.5 31 250 A E H X S+ 0 0 83 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.898 108.5 52.3 -68.4 -39.2 13.4 43.4 18.2 32 251 A A H X S+ 0 0 13 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.939 110.1 49.3 -62.0 -47.1 15.4 46.2 19.8 33 252 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.947 108.2 53.1 -55.5 -51.8 16.8 43.6 22.3 34 253 A E H X S+ 0 0 52 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.905 111.3 47.6 -47.2 -44.9 17.7 41.2 19.4 35 254 A K H X S+ 0 0 145 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.878 112.0 49.0 -69.0 -37.6 19.6 44.1 17.7 36 255 A L H X S+ 0 0 5 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.963 110.6 49.4 -68.3 -48.2 21.4 45.1 20.9 37 256 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.939 112.6 47.7 -53.0 -51.7 22.5 41.5 21.6 38 257 A D H < S+ 0 0 80 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.903 113.7 48.8 -59.4 -41.6 23.8 41.1 18.0 39 258 A K H >X S+ 0 0 75 -4,-2.1 3,-1.2 1,-0.2 4,-0.5 0.967 114.5 43.1 -63.8 -53.4 25.6 44.5 18.2 40 259 A I H >< S+ 0 0 12 -4,-3.1 3,-0.9 1,-0.3 6,-0.3 0.903 113.8 50.1 -57.4 -46.8 27.3 43.8 21.6 41 260 A T T 3< S+ 0 0 37 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.408 83.6 89.0 -80.2 2.5 28.3 40.2 20.8 42 261 A S T <4 S+ 0 0 98 -3,-1.2 2,-0.7 -4,-0.4 -1,-0.2 0.927 84.4 62.6 -62.8 -42.8 29.9 41.2 17.5 43 262 A N S X< S- 0 0 80 -3,-0.9 3,-1.7 -4,-0.5 -1,-0.1 -0.764 88.8-146.8 -76.6 115.5 33.0 41.7 19.6 44 263 A K T 3 S+ 0 0 172 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.1 0.561 90.4 63.6 -67.4 -9.1 33.7 38.2 21.0 45 264 A D T 3 S+ 0 0 89 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.637 83.8 91.8 -85.4 -18.0 35.0 39.5 24.3 46 265 A N < - 0 0 17 -3,-1.7 2,-0.3 -6,-0.3 -42,-0.2 -0.502 64.1-144.9 -82.6 149.3 31.8 41.1 25.5 47 266 A R E -b 4 0A 51 -44,-2.1 -42,-2.9 -2,-0.2 2,-0.3 -0.871 10.7-163.9-112.7 152.8 29.2 39.4 27.6 48 267 A V E +bC 5 103A 0 55,-2.5 55,-2.1 -2,-0.3 2,-0.3 -0.932 8.5 177.1-125.9 151.1 25.4 39.6 27.7 49 268 A A E -b 6 0A 0 -44,-1.7 -42,-3.1 -2,-0.3 2,-0.4 -0.958 17.2-141.6-143.7 162.2 22.6 38.7 30.0 50 269 A L E -bC 7 99A 0 49,-3.0 49,-2.8 -2,-0.3 2,-0.6 -0.982 12.2-174.8-135.8 125.6 18.9 39.1 29.9 51 270 A V E -b 8 0A 0 -44,-3.6 -42,-3.0 -2,-0.4 2,-0.4 -0.935 9.5-173.1-118.5 103.3 16.4 40.0 32.6 52 271 A T E +b 9 0A 0 -2,-0.6 6,-2.7 6,-0.3 2,-0.3 -0.834 19.1 172.4 -96.0 136.3 12.8 39.9 31.4 53 272 A Y E +bD 10 57A 1 -44,-2.7 -42,-3.4 -2,-0.4 4,-0.2 -0.944 29.5 148.1-144.8 159.0 10.4 41.2 34.0 54 273 A A S S- 0 0 0 2,-2.5 82,-2.1 -2,-0.3 79,-0.2 -0.306 92.2 -11.0-149.9-113.1 6.9 42.2 34.9 55 274 A S S S- 0 0 3 77,-2.6 2,-0.3 80,-0.2 78,-0.1 0.722 142.5 -5.5 -61.8 -23.1 5.4 41.6 38.4 56 275 A T S S- 0 0 18 76,-0.5 -2,-2.5 78,-0.2 2,-0.6 -0.898 101.3 -61.3-153.2-178.7 8.5 39.6 39.0 57 276 A I B -D 53 0A 7 -2,-0.3 2,-1.8 -4,-0.2 4,-0.3 -0.680 45.0-137.0 -75.9 122.3 11.6 38.2 37.1 58 277 A F + 0 0 7 -6,-2.7 39,-2.0 -2,-0.6 40,-0.3 -0.539 58.3 129.8 -84.0 83.6 10.4 35.9 34.3 59 278 A D B S-G 96 0B 36 -2,-1.8 37,-0.3 37,-0.3 -1,-0.2 0.109 83.2 -93.8-123.2 16.5 13.0 33.2 34.8 60 279 A G S S+ 0 0 32 35,-1.2 36,-0.2 1,-0.3 2,-0.2 0.552 85.4 124.0 84.3 5.2 10.8 30.0 34.9 61 280 A T - 0 0 78 -4,-0.3 33,-2.5 34,-0.2 -1,-0.3 -0.554 69.3 -95.2 -91.6 164.6 10.3 29.9 38.7 62 281 A E E -H 93 0C 124 31,-0.3 2,-0.3 -2,-0.2 31,-0.2 -0.584 46.3-178.2 -72.4 138.0 7.1 29.9 40.7 63 282 A A E -H 92 0C 15 29,-2.9 29,-2.4 -2,-0.3 2,-0.4 -0.950 15.4-148.9-137.0 159.7 5.9 33.3 41.9 64 283 A T E +H 91 0C 37 -2,-0.3 149,-0.4 27,-0.2 2,-0.3 -0.969 14.2 179.0-129.6 141.0 3.0 34.6 44.0 65 284 A V E -H 90 0C 13 25,-2.1 25,-2.4 -2,-0.4 2,-0.4 -0.932 24.6-122.1-134.1 159.1 1.2 37.9 43.8 66 285 A S E +H 89 0C 13 -2,-0.3 23,-0.3 23,-0.2 2,-0.3 -0.823 33.1 172.0-100.6 147.6 -1.7 39.5 45.7 67 286 A K + 0 0 30 21,-1.9 2,-0.1 -2,-0.4 10,-0.0 -0.859 24.6 55.1-139.6 172.0 -4.9 40.7 44.0 68 287 A G - 0 0 14 -2,-0.3 201,-0.5 151,-0.1 10,-0.3 -0.414 66.8 -82.8 108.5-175.5 -8.3 42.0 44.7 69 288 A V E -IJ 77 268D 10 8,-3.2 8,-2.2 199,-0.2 2,-0.3 -0.368 38.6-137.7-113.9-164.0 -10.1 44.7 46.7 70 289 A A E -IJ 76 267D 0 197,-2.0 197,-2.9 6,-0.3 6,-0.2 -0.986 11.8-109.9-156.0 161.9 -11.0 44.8 50.4 71 290 A D > - 0 0 2 4,-2.3 3,-1.9 -2,-0.3 195,-0.1 -0.147 56.8 -78.0 -82.7-171.9 -13.7 45.8 52.8 72 291 A Q T 3 S+ 0 0 107 1,-0.3 194,-0.1 193,-0.3 -1,-0.0 0.648 131.9 52.2 -67.8 -15.7 -13.5 48.7 55.2 73 292 A N T 3 S- 0 0 58 2,-0.1 -1,-0.3 194,-0.0 3,-0.1 0.323 121.5-101.9 -97.8 6.8 -11.3 46.7 57.5 74 293 A G S < S+ 0 0 39 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.595 70.9 150.3 82.9 8.0 -8.7 45.7 54.9 75 294 A K - 0 0 75 181,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.685 44.2-125.0 -79.0 128.9 -10.2 42.1 54.6 76 295 A A E +I 70 0D 18 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.430 36.3 162.3 -89.0 142.1 -9.5 41.1 51.0 77 296 A L E -I 69 0D 0 -8,-2.2 -8,-3.2 -2,-0.2 2,-0.6 -0.992 33.8-128.0-147.6 154.6 -11.9 39.8 48.2 78 297 A N - 0 0 11 7,-2.0 9,-0.2 -2,-0.3 5,-0.1 -0.905 18.4-175.6-100.6 115.3 -11.8 39.4 44.5 79 298 A D + 0 0 82 -2,-0.6 -1,-0.1 6,-0.0 6,-0.1 0.324 41.3 125.0 -91.2 6.2 -14.8 41.1 42.8 80 299 A S > - 0 0 43 1,-0.1 3,-0.6 4,-0.1 -2,-0.1 -0.309 65.0-133.3 -61.3 148.4 -13.9 39.9 39.2 81 300 A V T 3 S+ 0 0 153 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.752 105.1 54.2 -71.6 -24.5 -16.6 38.0 37.3 82 301 A S T 3 S+ 0 0 65 2,-0.1 2,-0.3 45,-0.0 -1,-0.2 0.408 103.9 55.0 -96.6 7.9 -13.9 35.4 36.4 83 302 A W S < S- 0 0 62 -3,-0.6 2,-0.1 -5,-0.1 -5,-0.0 -0.973 83.4-106.7-134.9 151.8 -12.5 34.5 39.8 84 303 A D > - 0 0 86 -2,-0.3 3,-1.9 1,-0.1 -4,-0.1 -0.426 39.1-115.3 -64.6 148.3 -13.9 33.2 43.1 85 304 A Y T 3 S+ 0 0 5 1,-0.3 -7,-2.0 -8,-0.1 -1,-0.1 0.702 113.7 62.4 -66.5 -20.7 -13.9 35.9 45.8 86 305 A H T 3 S+ 0 0 89 -9,-0.2 2,-2.4 1,-0.1 -1,-0.3 0.564 74.7 103.2 -71.7 -14.0 -11.3 34.0 47.9 87 306 A K < + 0 0 72 -3,-1.9 -1,-0.1 1,-0.2 -10,-0.1 -0.397 34.2 135.8 -76.0 70.5 -8.8 34.3 45.0 88 307 A T + 0 0 29 -2,-2.4 -21,-1.9 -12,-0.1 2,-0.3 0.322 66.4 40.2-106.5 4.8 -6.7 37.2 46.6 89 308 A T E -H 66 0C 48 -23,-0.3 2,-0.4 -3,-0.2 -23,-0.2 -0.946 69.1-156.8-138.7 155.0 -3.4 35.7 45.8 90 309 A F E -H 65 0C 3 -25,-2.4 -25,-2.1 -2,-0.3 2,-0.4 -0.993 4.0-166.7-131.5 144.2 -2.2 33.9 42.6 91 310 A T E +H 64 0C 67 -2,-0.4 2,-0.3 -27,-0.2 -27,-0.2 -0.998 23.0 144.3-134.1 127.8 0.6 31.4 42.3 92 311 A A E -H 63 0C 17 -29,-2.4 -29,-2.9 -2,-0.4 2,-0.5 -0.974 50.3 -97.6-155.5 169.1 2.1 30.3 39.0 93 312 A T E -H 62 0C 89 -2,-0.3 -31,-0.3 -31,-0.2 -32,-0.1 -0.839 43.3-137.4 -95.1 123.4 5.2 29.2 37.0 94 313 A T - 0 0 7 -33,-2.5 2,-0.1 -2,-0.5 -37,-0.0 -0.378 23.4 -98.5 -76.1 156.0 6.5 32.2 35.0 95 314 A H - 0 0 61 1,-0.1 2,-1.3 -36,-0.1 -35,-1.2 -0.466 35.5-119.4 -59.3 146.2 7.8 31.9 31.4 96 315 A N B +G 59 0B 65 -37,-0.3 -37,-0.3 -36,-0.2 -1,-0.1 -0.732 56.7 146.8 -92.9 87.7 11.6 31.6 31.3 97 316 A Y + 0 0 53 -39,-2.0 2,-0.3 -2,-1.3 -38,-0.2 0.126 47.3 90.4-106.2 18.4 12.3 34.7 29.3 98 317 A S - 0 0 1 -40,-0.3 2,-0.3 -47,-0.1 -47,-0.2 -0.789 52.7-164.2-118.9 154.4 15.6 35.3 31.0 99 318 A Y E -C 50 0A 19 -49,-2.8 -49,-3.0 -2,-0.3 4,-0.1 -0.858 17.0-177.7-131.0 104.8 19.3 34.5 30.7 100 319 A L E + 0 0 37 -2,-0.3 2,-0.5 -51,-0.2 -51,-0.1 0.373 54.9 77.5 -96.1 1.0 20.8 35.3 34.1 101 320 A N E S- 0 0 93 -53,-0.1 -53,-0.2 -51,-0.1 -51,-0.1 -0.946 83.4-119.0-111.3 126.4 24.5 34.6 33.5 102 321 A L E + 0 0 10 -2,-0.5 2,-0.3 45,-0.1 -53,-0.2 -0.429 48.1 178.9 -59.0 133.4 26.7 37.0 31.7 103 322 A T E +C 48 0A 7 -55,-2.1 -55,-2.5 -4,-0.1 -1,-0.0 -0.996 45.8 176.1-144.3 148.6 27.9 35.1 28.6 104 323 A N + 0 0 83 -2,-0.3 2,-0.5 -57,-0.2 -1,-0.1 0.170 53.8 121.1-119.5 6.1 30.0 35.3 25.4 105 324 A D > - 0 0 70 1,-0.2 4,-2.7 2,-0.0 5,-0.2 -0.613 62.6-141.0 -68.5 124.4 29.5 31.6 24.6 106 325 A A H > S+ 0 0 68 -2,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.809 99.6 49.0 -61.8 -35.6 27.9 31.7 21.1 107 326 A N H > S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.878 112.1 49.1 -70.6 -39.5 25.5 28.8 21.9 108 327 A E H > S+ 0 0 75 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.879 106.9 55.7 -63.0 -39.5 24.4 30.4 25.2 109 328 A V H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.942 106.3 52.2 -57.3 -46.2 23.9 33.7 23.3 110 329 A N H X S+ 0 0 99 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.818 107.3 51.3 -56.5 -40.0 21.5 31.7 21.0 111 330 A I H X S+ 0 0 61 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.952 109.7 50.7 -62.9 -49.3 19.6 30.4 24.1 112 331 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.955 111.3 46.9 -49.9 -54.7 19.3 34.0 25.3 113 332 A K H >< S+ 0 0 57 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.826 107.6 56.7 -63.6 -32.8 17.9 35.2 22.0 114 333 A S H 3< S+ 0 0 95 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.735 104.2 55.8 -66.7 -23.2 15.4 32.2 21.8 115 334 A R T << S+ 0 0 74 -4,-1.2 -1,-0.2 -3,-1.2 -2,-0.2 0.481 77.8 112.9 -90.2 -0.4 14.1 33.4 25.2 116 335 A I < - 0 0 12 -3,-1.1 2,-0.1 -4,-0.3 -18,-0.1 -0.596 62.7-141.9 -73.1 110.2 13.2 36.9 24.0 117 336 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.411 16.5-166.6 -70.4 155.2 9.4 37.3 24.0 118 337 A K S S+ 0 0 72 -88,-0.1 2,-0.3 1,-0.1 -91,-0.2 0.191 73.5 43.2-121.1 5.9 7.7 39.2 21.2 119 338 A E - 0 0 84 -93,-0.2 2,-0.2 -92,-0.1 -103,-0.1 -0.979 66.7-145.9-149.5 155.8 4.4 39.4 23.0 120 339 A A - 0 0 7 -2,-0.3 -103,-0.2 -107,-0.1 -108,-0.1 -0.718 43.8 -69.1-115.2 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48.2 231 450 A V - 0 0 16 35,-2.1 9,-2.9 -2,-0.3 35,-0.2 -0.731 28.9-145.4 -79.2 123.6 -13.2 52.1 44.9 232 451 A P B -P 239 0I 57 0, 0.0 7,-0.3 0, 0.0 2,-0.2 -0.527 22.7 -97.4 -87.9 157.9 -15.6 54.2 42.8 233 452 A V > - 0 0 55 5,-3.0 3,-2.5 -2,-0.2 5,-0.1 -0.581 64.5 -80.9 -68.4 135.7 -18.2 52.9 40.4 234 453 A T T 3 S+ 0 0 152 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.100 113.3 0.1 -45.5 124.5 -16.7 53.0 36.9 235 454 A G T 3 S+ 0 0 92 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.528 120.8 95.5 74.5 9.3 -16.8 56.5 35.4 236 455 A G S < S- 0 0 40 -3,-2.5 -1,-0.2 2,-0.2 3,-0.0 -0.327 76.1-124.1-124.2-162.9 -18.6 57.8 38.5 237 456 A T S S+ 0 0 134 -3,-0.1 2,-0.3 -2,-0.1 -3,-0.1 0.481 77.6 89.2-122.2 -14.7 -18.4 59.5 41.8 238 457 A T S S- 0 0 81 -5,-0.1 -5,-3.0 1,-0.1 -2,-0.2 -0.692 81.3-102.8-106.3 144.5 -20.0 57.0 44.1 239 458 A Q B -P 232 0I 48 -2,-0.3 2,-0.1 -7,-0.3 -1,-0.1 -0.401 35.8-125.9 -67.6 133.7 -18.3 54.2 46.0 240 459 A A - 0 0 19 -9,-2.9 26,-2.0 26,-0.2 2,-0.3 -0.373 25.5-163.3 -73.5 157.8 -18.8 50.7 44.6 241 460 A A E -Q 265 0J 40 24,-0.2 2,-0.6 -2,-0.1 24,-0.2 -0.951 19.8-127.4-139.5 158.6 -20.1 47.8 46.6 242 461 A Y E -Q 264 0J 46 22,-2.7 22,-2.5 -2,-0.3 2,-0.4 -0.939 23.4-143.4-108.8 110.0 -20.2 44.0 46.4 243 462 A R E -Q 263 0J 184 -2,-0.6 20,-0.2 20,-0.2 18,-0.0 -0.602 16.3-139.5 -68.1 124.9 -23.7 42.6 46.8 244 463 A V - 0 0 9 18,-2.2 5,-0.1 -2,-0.4 18,-0.1 -0.805 19.0-122.5 -91.2 126.0 -23.5 39.4 48.8 245 464 A P > - 0 0 52 0, 0.0 4,-1.3 0, 0.0 3,-0.3 -0.247 17.8-115.4 -64.0 151.5 -25.8 36.6 47.5 246 465 A Q T >4 S+ 0 0 187 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.934 118.6 46.4 -46.8 -61.2 -28.5 34.9 49.8 247 466 A N T 34 S+ 0 0 134 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.809 118.6 44.9 -49.7 -33.8 -26.8 31.5 49.6 248 467 A Q T 3> S+ 0 0 50 -3,-0.3 4,-1.7 1,-0.2 3,-0.3 0.588 88.4 93.1 -87.7 -15.8 -23.4 33.3 50.3 249 468 A L H S+ 0 0 92 -4,-0.4 4,-2.5 -3,-0.2 -1,-0.2 0.826 111.1 54.4 -80.2 -33.5 -23.8 33.5 56.2 251 470 A V H > S+ 0 0 73 -3,-0.3 4,-2.6 -4,-0.3 -2,-0.2 0.888 109.2 49.3 -65.6 -39.9 -20.4 32.3 55.1 252 471 A M H X>S+ 0 0 0 -4,-1.7 5,-1.8 2,-0.2 4,-1.2 0.908 112.3 47.2 -67.7 -42.5 -19.2 35.8 54.5 253 472 A S H ><5S+ 0 0 62 -4,-1.4 3,-0.7 2,-0.2 -2,-0.2 0.943 112.2 50.4 -60.2 -52.4 -20.4 37.0 57.9 254 473 A N H 3<5S+ 0 0 100 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 108.6 53.3 -46.8 -50.5 -18.7 33.9 59.5 255 474 A E H 3<5S- 0 0 65 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.730 120.1-112.4 -62.8 -27.1 -15.5 34.9 57.6 256 475 A G T <<5 + 0 0 36 -4,-1.2 -3,-0.2 -3,-0.7 -2,-0.1 0.577 56.9 156.6 108.4 12.9 -15.7 38.4 59.1 257 476 A Y < - 0 0 19 -5,-1.8 2,-0.8 1,-0.1 -1,-0.2 -0.384 51.4-110.0 -66.4 145.9 -16.5 40.8 56.2 258 477 A A - 0 0 23 7,-0.1 2,-0.5 -183,-0.1 7,-0.3 -0.720 45.2-179.6 -74.5 112.0 -18.1 44.1 56.9 259 478 A I - 0 0 47 -2,-0.8 2,-0.7 5,-0.1 5,-0.2 -0.975 15.6-170.3-122.5 117.9 -21.6 43.6 55.5 260 479 A N B > S-R 263 0J 105 3,-2.8 3,-1.1 -2,-0.5 -2,-0.0 -0.839 75.1 -32.3-111.5 90.8 -24.1 46.5 55.7 261 480 A S T 3 S- 0 0 101 -2,-0.7 -1,-0.1 1,-0.3 -18,-0.0 0.821 128.1 -43.4 33.5 81.7 -27.5 45.1 54.6 262 481 A G T 3 S+ 0 0 23 -18,-0.1 -18,-2.2 -20,-0.0 2,-0.4 -0.289 116.6 102.4-113.7 70.9 -26.1 43.2 52.7 263 482 A Y E < -QR 243 260J 80 -3,-1.1 -3,-2.8 -20,-0.2 2,-0.7 -0.946 50.0-146.3-115.4 137.0 -23.3 45.0 50.8 264 483 A I E -Q 242 0J 0 -22,-2.5 -22,-2.7 -2,-0.4 2,-0.3 -0.904 25.5-139.4 -95.3 109.9 -19.5 45.0 51.3 265 484 A Y E -Q 241 0J 93 -2,-0.7 2,-0.3 -7,-0.3 -193,-0.3 -0.573 24.4-123.9 -73.9 136.3 -18.4 48.5 50.4 266 485 A L + 0 0 3 -26,-2.0 -35,-2.1 -2,-0.3 2,-0.3 -0.657 30.5 176.3 -98.7 135.8 -15.1 48.2 48.4 267 486 A Y E -JK 70 230D 44 -197,-2.9 -197,-2.0 -2,-0.3 -37,-0.2 -0.936 39.5-101.4-127.0 150.9 -11.7 49.8 49.1 268 487 A W E -J 69 0D 35 -39,-2.5 -199,-0.2 -2,-0.3 5,-0.1 -0.456 53.0 -97.3 -61.7 143.5 -8.4 49.4 47.3 269 488 A R > - 0 0 43 -201,-0.5 3,-2.6 1,-0.1 4,-0.1 -0.424 40.2-107.9 -64.4 148.6 -6.2 47.0 49.3 270 489 A D G > S+ 0 0 28 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.616 114.4 71.5 -66.6 -13.1 -3.8 49.1 51.5 271 490 A Y G 3 S+ 0 0 24 1,-0.2 -53,-2.5 -54,-0.1 -1,-0.3 0.586 97.2 54.9 -74.5 -7.0 -0.7 48.4 49.4 272 491 A N G < S+ 0 0 1 -3,-2.6 -46,-3.2 -55,-0.2 -1,-0.2 0.442 91.7 101.6 -96.6 -0.8 -2.3 50.7 46.8 273 492 A W B < S-o 226 0H 20 -3,-1.1 -46,-0.2 -48,-0.3 -55,-0.1 -0.433 85.4 -96.1 -85.0 153.7 -2.7 53.6 49.2 274 493 A V - 0 0 6 -48,-2.6 17,-0.2 -2,-0.1 -1,-0.1 -0.438 68.8-111.9 -56.2 138.4 -0.7 56.8 49.5 275 494 A Y B S+S 290 0K 6 15,-1.3 15,-3.2 9,-0.1 2,-0.2 -0.947 76.9 48.2-143.3 167.5 1.7 56.0 52.3 276 495 A P + 0 0 7 0, 0.0 9,-2.5 0, 0.0 2,-0.3 0.496 64.4 161.8 -73.3 160.0 3.1 56.0 55.0 277 496 A F B -T 284 0L 27 7,-0.3 7,-0.3 -2,-0.2 6,-0.1 -0.967 49.8 -90.8-142.4 149.5 -0.0 55.8 57.2 278 497 A D > - 0 0 25 5,-2.4 4,-2.1 -2,-0.3 5,-0.0 -0.435 33.2-144.6 -60.7 124.3 -0.4 54.8 60.9 279 498 A P T 4 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.781 94.5 40.8 -71.9 -20.2 -1.0 51.1 60.8 280 499 A K T 4 S+ 0 0 106 1,-0.1 -2,-0.0 3,-0.1 0, 0.0 0.943 130.3 22.4 -85.8 -54.9 -3.4 51.2 63.8 281 500 A T T 4 S- 0 0 80 2,-0.1 3,-0.1 156,-0.0 -1,-0.1 0.600 92.3-135.0 -89.0 -15.7 -5.4 54.3 63.1 282 501 A K < + 0 0 72 -4,-2.1 2,-0.3 1,-0.2 -1,-0.0 0.529 46.0 158.3 68.0 8.2 -4.8 54.5 59.3 283 502 A K - 0 0 148 -6,-0.1 -5,-2.4 1,-0.1 -1,-0.2 -0.483 41.3-126.4 -57.2 119.3 -4.2 58.3 59.5 284 503 A V B -T 277 0L 63 -2,-0.3 -7,-0.3 -7,-0.3 -9,-0.1 -0.363 38.2 -79.7 -66.2 154.3 -2.2 59.1 56.4 285 504 A S - 0 0 3 -9,-2.5 -1,-0.1 1,-0.1 -102,-0.0 -0.258 31.0-155.2 -52.1 134.9 1.1 61.0 56.8 286 505 A A S S+ 0 0 102 -3,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.343 85.5 29.1 -95.8 1.8 0.7 64.7 57.4 287 506 A T S S+ 0 0 67 1,-0.4 2,-0.1 -102,-0.0 -2,-0.0 0.230 116.3 24.4-120.9-106.5 4.2 65.3 56.1 288 507 A K - 0 0 34 1,-0.0 -1,-0.4 -2,-0.0 2,-0.4 -0.442 66.4-173.8 -66.0 136.3 6.1 63.2 53.5 289 508 A Q - 0 0 53 -2,-0.1 2,-0.5 -3,-0.1 -15,-0.1 -0.997 21.2-147.1-134.1 128.0 3.9 61.2 51.2 290 509 A I B +S 275 0K 0 -15,-3.2 -15,-1.3 -2,-0.4 3,-0.1 -0.829 26.9 166.1 -88.2 125.1 4.8 58.6 48.5 291 510 A K + 0 0 109 -2,-0.5 -66,-3.0 -17,-0.2 2,-0.3 0.460 54.5 35.3-124.9 -7.4 2.2 59.0 45.7 292 511 A T B -N 224 0G 30 -68,-0.3 -68,-0.2 1,-0.1 -69,-0.1 -0.915 68.1-125.5-135.8 171.7 3.7 57.1 42.8 293 512 A H S > S+ 0 0 0 -70,-2.2 4,-1.6 -125,-0.4 -124,-0.1 0.690 105.1 69.1 -85.4 -18.3 5.8 54.0 42.0 294 513 A G H > S+ 0 0 4 -71,-0.4 4,-2.7 -126,-0.2 5,-0.2 0.940 95.2 53.0 -64.5 -47.7 8.2 56.1 40.0 295 514 A E H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.940 109.6 43.5 -60.1 -53.3 9.5 57.9 43.1 296 515 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.909 115.4 52.1 -63.0 -30.7 10.5 54.9 45.2 297 516 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.905 110.6 46.2 -65.4 -44.3 12.0 53.3 42.1 298 517 A T H X S+ 0 0 26 -4,-2.7 4,-3.5 2,-0.2 5,-0.2 0.906 112.5 51.3 -62.0 -43.9 14.2 56.5 41.3 299 518 A L H X S+ 0 0 14 -4,-2.6 4,-1.9 -5,-0.2 -98,-1.5 0.915 111.6 46.7 -62.3 -42.3 15.3 56.7 44.9 300 519 A Y H X S+ 0 0 2 -4,-2.3 4,-2.0 -5,-0.3 5,-0.5 0.939 113.7 49.1 -64.7 -43.3 16.3 53.1 44.9 301 520 A F H X>S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-2.1 0.957 114.5 44.3 -57.1 -52.4 18.1 53.6 41.6 302 521 A N H <5S+ 0 0 19 -4,-3.5 -102,-0.3 -103,-0.3 -1,-0.2 0.755 117.3 46.0 -68.4 -26.0 19.9 56.7 42.8 303 522 A G H <5S+ 0 0 6 -4,-1.9 -1,-0.2 -102,-0.3 -2,-0.2 0.799 130.6 13.7 -82.8 -31.1 20.8 55.1 46.1 304 523 A N H <5S+ 0 0 21 -4,-2.0 -3,-0.2 -3,-0.2 -2,-0.2 0.576 130.2 33.9-129.5 -19.5 22.0 51.7 45.0 305 524 A I T ><5S+ 0 0 0 -4,-2.5 3,-1.9 -5,-0.5 5,-0.4 0.831 108.3 53.8-106.0 -59.0 22.6 51.7 41.2 306 525 A R G > - 0 0 2 -156,-0.4 4,-2.7 1,-0.2 -98,-0.2 0.534 46.8-162.3 91.1 9.3 1.8 56.7 30.5 322 541 A D T 4 + 0 0 54 1,-0.2 -1,-0.2 2,-0.2 -155,-0.1 -0.527 68.2 29.2 -72.3 126.9 -0.5 53.6 30.6 323 542 A P T 4 S- 0 0 27 0, 0.0 -100,-2.0 0, 0.0 -1,-0.2 0.553 136.5 -33.7 -98.6 140.6 -1.7 53.1 33.3 324 543 A G T 4 S+ 0 0 33 1,-0.3 2,-0.3 -102,-0.2 -2,-0.2 0.387 105.0 95.8 86.2 0.9 -2.2 56.4 35.4 325 544 A A < - 0 0 15 -4,-2.7 -1,-0.3 -102,-0.1 -158,-0.0 -0.775 69.9-121.1-112.5 161.9 0.8 58.4 34.3 326 545 A T > - 0 0 67 -2,-0.3 4,-1.9 -3,-0.1 -5,-0.1 -0.596 34.7-103.9 -88.5 165.0 1.0 61.1 31.6 327 546 A P H > S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 -6,-0.2 0.895 122.8 50.4 -51.9 -43.4 3.4 60.8 28.7 328 547 A L H > S+ 0 0 95 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.891 105.4 54.3 -64.9 -46.0 5.8 63.3 30.4 329 548 A E H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.915 109.0 50.4 -52.2 -44.3 5.8 61.5 33.7 330 549 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.933 113.1 44.9 -62.1 -47.7 6.9 58.3 31.9 331 550 A E H X S+ 0 0 67 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.924 113.8 48.7 -59.7 -51.7 9.7 60.1 30.1 332 551 A K H X S+ 0 0 128 -4,-3.1 4,-3.0 2,-0.2 -1,-0.2 0.930 111.9 51.0 -55.3 -46.7 10.9 61.9 33.1 333 552 A F H X S+ 0 0 9 -4,-2.7 4,-1.2 -5,-0.3 -2,-0.2 0.946 111.3 46.5 -57.4 -47.2 10.8 58.6 35.0 334 553 A M H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.897 113.9 47.7 -62.8 -39.5 12.9 56.9 32.3 335 554 A Q H >< S+ 0 0 59 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.893 106.2 60.2 -64.2 -41.7 15.4 59.8 32.3 336 555 A S H 3< S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 108.6 43.3 -56.8 -30.0 15.4 59.6 36.1 337 556 A I T 3< S+ 0 0 0 -4,-1.2 2,-0.3 -3,-0.5 -1,-0.3 -0.107 99.9 86.8-112.8 31.9 16.7 56.0 35.9 338 557 A S S < S- 0 0 0 -3,-1.6 -25,-0.2 1,-0.1 6,-0.1 -0.865 91.2-105.8-120.0 159.3 19.3 56.4 33.1 339 558 A S S S- 0 0 21 -27,-2.8 2,-0.3 -2,-0.3 -26,-0.1 0.909 97.4 -12.7 -50.9 -51.4 22.9 57.5 33.5 340 559 A K S > S- 0 0 86 -28,-0.4 3,-2.5 1,-0.1 4,-0.3 -0.946 80.3 -87.2-145.6 173.3 22.1 61.0 32.1 341 560 A T G > S+ 0 0 99 1,-0.3 3,-1.3 -2,-0.3 -1,-0.1 0.835 124.3 49.3 -44.8 -47.1 19.3 62.9 30.3 342 561 A E G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -4,-0.0 14,-0.1 0.397 94.0 74.9 -81.6 2.0 20.5 61.8 26.8 343 562 A N G < S+ 0 0 4 -3,-2.5 -29,-2.5 -8,-0.1 2,-0.6 0.410 80.2 82.0 -95.6 -0.2 20.8 58.2 27.8 344 563 A Y E < +f 314 0A 20 -3,-1.3 2,-0.4 -4,-0.3 -29,-0.2 -0.941 65.6 171.7 -88.4 123.6 17.0 58.0 27.6 345 564 A a E -f 315 0A 1 -31,-2.6 -29,-2.3 -2,-0.6 2,-0.2 -0.997 35.6-123.6-130.5 138.1 16.1 57.6 23.9 346 565 A N E > -f 316 0A 44 -2,-0.4 3,-0.9 -31,-0.2 7,-0.3 -0.526 31.2-121.1 -63.9 146.6 12.8 56.9 22.2 347 566 A V T 3 S+ 0 0 26 -31,-2.3 -1,-0.1 1,-0.3 -30,-0.1 0.855 116.3 57.2 -60.2 -32.8 13.2 53.7 20.2 348 567 A D T 3 S+ 0 0 121 -32,-0.3 2,-1.8 1,-0.2 -1,-0.3 0.722 88.0 81.8 -69.3 -19.6 12.2 55.8 17.2 349 568 A D <> + 0 0 77 -3,-0.9 4,-1.7 1,-0.2 3,-0.2 -0.560 55.0 164.5 -88.3 77.4 15.1 58.1 18.0 350 569 A T H > S+ 0 0 93 -2,-1.8 4,-3.2 1,-0.2 5,-0.3 0.815 70.9 59.7 -68.8 -28.4 17.8 56.0 16.3 351 570 A N H > S+ 0 0 117 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.925 104.8 49.8 -64.0 -43.5 20.3 58.9 16.3 352 571 A a H > S+ 0 0 22 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.936 114.7 44.3 -59.6 -45.5 20.1 59.0 20.1 353 572 A I H X S+ 0 0 27 -4,-1.7 4,-2.0 -7,-0.3 -2,-0.2 0.920 114.3 48.0 -69.2 -47.1 20.6 55.2 20.4 354 573 A Y H X S+ 0 0 138 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.937 111.0 53.1 -52.5 -51.2 23.5 55.1 17.8 355 574 A D H X S+ 0 0 115 -4,-2.6 4,-0.6 -5,-0.3 -2,-0.2 0.903 110.8 44.2 -58.8 -43.5 25.2 58.1 19.5 356 575 A E H 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104.2 1074 569 C T H 3> + 0 0 56 -2,-2.2 4,-2.2 1,-0.3 5,-0.4 0.829 66.5 74.3 -59.6 -27.8 -24.4 15.5 105.0 1075 570 C N H 3> S+ 0 0 95 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.918 102.3 32.4 -40.0 -65.5 -26.7 18.5 105.1 1076 571 C c H <4 S+ 0 0 39 -3,-0.8 4,-0.4 1,-0.2 -1,-0.2 0.700 116.5 57.7 -80.0 -15.5 -26.8 19.0 101.3 1077 572 C I H < S+ 0 0 8 -4,-1.4 4,-0.4 -7,-0.2 -1,-0.2 0.835 122.9 21.8 -73.8 -33.9 -26.4 15.3 100.4 1078 573 C Y H X S+ 0 0 22 -4,-2.2 4,-3.8 -3,-0.2 -2,-0.2 0.741 99.1 82.9-111.5 -29.5 -29.5 14.4 102.4 1079 574 C D T < S+ 0 0 118 -4,-2.4 -3,-0.1 -5,-0.4 -2,-0.1 0.838 105.2 36.2 -47.9 -41.8 -31.8 17.4 102.8 1080 575 C E T 4 S+ 0 0 99 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.1 0.925 115.0 55.1 -78.2 -47.9 -33.2 16.8 99.3 1081 576 C L T 4 S+ 0 0 2 -4,-0.4 2,-0.7 -5,-0.1 -2,-0.2 0.881 84.2 98.8 -50.9 -41.2 -33.2 13.0 99.6 1082 577 C N < + 0 0 80 -4,-3.8 -1,-0.1 1,-0.1 2,-0.0 -0.334 34.7 127.7 -58.1 98.4 -35.2 13.3 102.8 1083 578 C K 0 0 106 -2,-0.7 -1,-0.1 0, 0.0 -3,-0.0 -0.603 360.0 360.0-148.6 73.3 -38.8 12.6 101.6 1084 579 C Y 0 0 119 -2,-0.0 -2,-0.0 -318,-0.0 -317,-0.0 -0.884 360.0 360.0-145.8 360.0 -39.6 9.9 104.1 1085 !* 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 1086 221 D P 0 0 89 0, 0.0 155,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.3 -41.0 9.1 27.4 1087 222 D L E -i 1241 0k 15 153,-0.2 44,-2.9 37,-0.1 2,-0.5 -0.820 360.0-167.1-109.6 130.2 -37.3 8.7 28.0 1088 223 D D E -ij12421131k 0 153,-2.9 155,-2.7 -2,-0.4 2,-0.5 -0.968 22.0-172.6-107.2 116.3 -34.8 10.4 30.4 1089 224 D V E -ij12431132k 0 42,-2.8 44,-1.5 -2,-0.5 2,-0.6 -0.912 16.4-165.5-115.3 127.9 -31.3 9.5 29.4 1090 225 D V E -ij12441133k 0 153,-2.9 155,-2.4 -2,-0.5 2,-0.5 -0.945 13.1-153.5-106.4 124.3 -28.0 10.3 31.1 1091 226 D V E -ij12451134k 0 42,-2.6 44,-3.4 -2,-0.6 2,-0.6 -0.843 3.7-157.2 -91.5 127.4 -24.9 9.8 29.1 1092 227 D L E -ij12461135k 0 153,-3.3 155,-3.2 -2,-0.5 2,-0.6 -0.936 9.1-167.4-102.7 120.4 -21.7 9.1 31.0 1093 228 D L E -ij12471136k 4 42,-2.8 44,-2.7 -2,-0.6 2,-0.5 -0.919 13.6-146.2-117.8 109.8 -18.5 10.0 29.1 1094 229 D D E + j 01137k 1 153,-2.5 44,-0.2 -2,-0.6 19,-0.1 -0.573 23.7 170.4 -66.0 115.0 -15.2 8.7 30.3 1095 230 D N + 0 0 5 42,-3.6 110,-0.5 -2,-0.5 43,-0.1 -0.075 26.7 140.5-121.7 32.3 -12.7 11.5 29.5 1096 231 D S S > S- 0 0 0 41,-0.2 3,-2.1 42,-0.1 4,-0.3 -0.179 70.4 -97.6 -71.5 168.6 -9.8 10.0 31.4 1097 232 D N G > S+ 0 0 17 120,-2.4 3,-1.4 1,-0.3 6,-0.2 0.781 122.0 65.7 -58.7 -30.4 -6.1 10.0 30.2 1098 233 D S G 3 S+ 0 0 7 119,-0.5 -1,-0.3 1,-0.2 11,-0.2 0.682 95.0 61.4 -65.2 -16.8 -6.5 6.4 29.0 1099 234 D M G < S+ 0 0 0 -3,-2.1 11,-2.3 10,-0.1 -1,-0.2 0.613 72.2 126.2 -85.9 -14.3 -9.0 7.9 26.4 1100 235 D N S X S- 0 0 5 -3,-1.4 3,-1.2 -4,-0.3 9,-0.4 -0.154 72.8-117.6 -46.5 139.9 -6.4 10.2 24.8 1101 236 D N T 3 S+ 0 0 20 1,-0.3 7,-2.0 103,-0.2 -1,-0.1 0.705 109.1 54.4 -64.0 -23.2 -6.4 9.4 21.1 1102 237 D E T 3> S+ 0 0 113 4,-0.2 4,-2.8 5,-0.1 3,-0.4 0.765 84.5 106.5 -76.8 -27.3 -2.8 8.2 20.9 1103 238 D R H <> S+ 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