==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUL-06 2HJV . COMPND 2 MOLECULE: ATP-DEPENDENT RNA HELICASE DBPA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR D.B.MCKAY,J.M.CARUTHERS . 313 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 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 . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 0 0 2 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 211 A T 0 0 165 0, 0.0 2,-0.1 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 139.5 30.2 14.3 49.2 2 212 A T - 0 0 106 121,-0.1 123,-0.5 1,-0.1 2,-0.4 -0.348 360.0-149.2 -65.4 129.9 33.9 15.1 48.9 3 213 A R - 0 0 86 -2,-0.1 2,-0.6 120,-0.1 120,-0.2 -0.793 4.8-153.9 -96.5 140.1 35.4 15.6 45.4 4 214 A N + 0 0 53 118,-2.3 124,-3.3 122,-0.4 2,-0.4 -0.824 32.9 144.6-120.8 93.7 39.0 14.6 44.9 5 215 A I E -a 128 0A 33 -2,-0.6 2,-0.5 122,-0.2 124,-0.3 -0.982 34.7-154.6-133.0 121.5 40.6 16.5 42.1 6 216 A E E -a 129 0A 106 122,-2.3 124,-2.7 -2,-0.4 2,-0.4 -0.831 21.2-157.4 -90.0 126.7 44.2 17.7 42.0 7 217 A H E +a 130 0A 39 -2,-0.5 147,-0.5 122,-0.2 2,-0.3 -0.860 16.7 169.7-108.3 144.9 44.4 20.7 39.7 8 218 A A E -ab 131 154A 3 122,-2.1 124,-2.6 -2,-0.4 2,-0.4 -0.993 20.0-151.5-154.0 148.8 47.5 21.9 37.9 9 219 A V E -ab 132 155A 0 145,-2.4 147,-2.9 -2,-0.3 2,-0.5 -0.941 6.1-162.8-121.3 140.0 48.5 24.3 35.2 10 220 A I E -a 133 0A 7 122,-2.7 124,-2.3 -2,-0.4 2,-0.4 -0.987 16.7-138.1-125.6 121.6 51.5 24.0 32.9 11 221 A Q E +a 134 0A 112 -2,-0.5 2,-0.3 145,-0.4 124,-0.2 -0.648 39.6 157.2 -78.2 127.9 52.7 27.1 31.0 12 222 A V - 0 0 21 122,-2.1 2,-0.2 -2,-0.4 124,-0.1 -0.997 43.1-111.7-154.1 146.9 53.6 26.1 27.5 13 223 A R > - 0 0 159 -2,-0.3 3,-1.9 122,-0.1 4,-0.4 -0.509 35.9-115.4 -77.6 147.8 53.9 27.6 24.0 14 224 A E G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.876 114.1 53.9 -49.4 -45.9 51.3 26.6 21.5 15 225 A E G 3 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.589 108.6 50.5 -68.4 -11.9 53.9 24.8 19.2 16 226 A N G <> S+ 0 0 77 -3,-1.9 4,-1.9 1,-0.1 -1,-0.2 0.322 81.0 96.2-107.7 5.8 55.1 22.7 22.1 17 227 A K H <> S+ 0 0 0 -3,-1.4 4,-2.8 -4,-0.4 5,-0.2 0.903 81.9 51.0 -63.4 -42.6 51.8 21.4 23.3 18 228 A F H > S+ 0 0 39 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.936 110.9 48.3 -64.2 -43.6 51.9 18.1 21.5 19 229 A S H > S+ 0 0 63 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.903 113.0 49.9 -60.8 -38.0 55.3 17.3 22.8 20 230 A L H X S+ 0 0 15 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.900 106.5 54.8 -66.8 -42.5 54.0 18.2 26.3 21 231 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.936 106.0 52.0 -57.9 -45.6 51.0 16.0 25.9 22 232 A K H X S+ 0 0 69 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.886 111.8 46.8 -59.1 -39.3 53.2 13.0 25.1 23 233 A D H X S+ 0 0 85 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.904 111.9 49.9 -68.8 -42.3 55.2 13.6 28.3 24 234 A V H X S+ 0 0 8 -4,-2.7 4,-3.4 2,-0.2 5,-0.4 0.915 112.6 46.6 -63.1 -43.1 52.1 14.1 30.5 25 235 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.894 112.5 50.9 -67.1 -38.1 50.6 10.8 29.2 26 236 A M H < S+ 0 0 146 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.926 118.0 38.6 -64.2 -44.0 53.9 9.0 29.7 27 237 A T H < S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.898 123.2 38.4 -75.3 -43.8 54.2 10.3 33.3 28 238 A E H < S- 0 0 65 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.823 79.0-169.2 -77.2 -31.8 50.5 10.1 34.3 29 239 A N < - 0 0 107 -4,-2.3 -3,-0.1 -5,-0.4 -4,-0.1 0.881 20.2-164.5 42.1 52.4 49.9 6.8 32.5 30 240 A P - 0 0 11 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.281 29.1-143.8 -68.4 148.9 46.1 7.2 33.1 31 241 A D S S+ 0 0 116 1,-0.3 2,-0.3 -2,-0.0 -2,-0.1 0.819 94.4 16.6 -78.8 -30.4 43.6 4.3 32.7 32 242 A S S S+ 0 0 16 2,-0.0 69,-1.6 51,-0.0 68,-0.4 -0.990 74.7 167.3-143.6 133.6 41.0 6.8 31.3 33 243 A C E -cd 83 101A 0 49,-2.1 51,-2.6 -2,-0.3 2,-0.5 -0.995 20.2-157.5-150.5 136.3 41.7 10.4 30.0 34 244 A I E -cd 84 102A 2 67,-2.1 69,-2.4 -2,-0.3 2,-0.7 -0.973 9.6-159.0-117.1 129.5 39.8 13.0 28.1 35 245 A I E -cd 85 103A 0 49,-3.3 51,-2.6 -2,-0.5 2,-0.4 -0.918 12.9-153.6-111.6 106.5 41.7 15.7 26.2 36 246 A F E -cd 86 104A 3 67,-2.1 70,-1.5 -2,-0.7 69,-1.0 -0.654 13.4-177.8 -87.2 133.7 39.6 18.8 25.5 37 247 A C - 0 0 0 49,-2.6 51,-0.4 -2,-0.4 3,-0.0 -0.847 30.8-125.8-122.2 161.4 40.3 21.1 22.6 38 248 A R S S+ 0 0 144 -2,-0.3 2,-0.3 49,-0.1 50,-0.2 0.822 87.3 28.2 -78.2 -32.8 38.5 24.3 21.6 39 249 A T S > S- 0 0 27 1,-0.1 4,-2.1 48,-0.1 3,-0.3 -0.904 74.0-119.7-131.1 159.6 37.6 23.5 18.0 40 250 A K H > S+ 0 0 93 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.817 114.5 61.0 -64.9 -29.1 36.8 20.4 15.9 41 251 A E H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 105.4 46.2 -63.7 -40.8 39.8 21.3 13.8 42 252 A H H > S+ 0 0 53 -3,-0.3 4,-2.6 2,-0.2 5,-0.3 0.915 111.8 52.3 -66.3 -43.5 42.2 21.0 16.8 43 253 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.937 110.2 47.7 -58.6 -46.5 40.5 17.7 17.7 44 254 A N H X S+ 0 0 10 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.918 113.4 47.0 -62.1 -45.9 41.0 16.3 14.2 45 255 A Q H X S+ 0 0 102 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.921 113.2 48.0 -62.5 -46.7 44.6 17.3 14.0 46 256 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.896 110.7 51.1 -62.4 -41.3 45.5 16.0 17.5 47 257 A T H X S+ 0 0 4 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.917 109.3 51.4 -63.9 -41.1 43.8 12.7 16.9 48 258 A D H X S+ 0 0 39 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.917 111.3 47.5 -61.0 -43.2 45.7 12.3 13.6 49 259 A E H X S+ 0 0 66 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.874 114.2 45.9 -67.7 -36.9 49.0 12.9 15.4 50 260 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 3,-0.7 0.902 113.0 52.0 -69.9 -40.9 48.2 10.5 18.2 51 261 A D H ><5S+ 0 0 47 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.901 104.6 55.2 -60.0 -46.0 47.1 7.9 15.6 52 262 A D H 3<5S+ 0 0 132 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.713 109.9 47.9 -63.6 -19.6 50.3 8.2 13.6 53 263 A L T <<5S- 0 0 90 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.438 120.4-103.7-101.1 -1.3 52.3 7.4 16.7 54 264 A G T < 5 + 0 0 59 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.676 64.2 151.9 91.8 16.8 50.2 4.4 17.8 55 265 A Y < - 0 0 58 -5,-2.4 2,-1.0 -8,-0.1 -1,-0.3 -0.701 47.9-127.1 -82.9 127.5 48.1 5.8 20.7 56 266 A P + 0 0 77 0, 0.0 27,-1.2 0, 0.0 26,-1.0 -0.634 59.6 130.0 -75.4 107.0 44.8 4.0 21.0 57 267 A C E -e 83 0A 7 -2,-1.0 2,-0.3 25,-0.2 27,-0.2 -0.868 37.4-163.9-147.3 178.5 42.4 6.9 21.0 58 268 A D E -e 84 0A 9 25,-1.5 27,-2.7 -2,-0.3 2,-0.3 -0.930 16.5-129.0-158.4 174.0 39.2 8.2 19.4 59 269 A K E -e 85 0A 29 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.930 11.2-166.6-138.1 160.4 37.5 11.5 19.1 60 270 A I E +e 86 0A 4 25,-1.9 27,-1.4 -2,-0.3 2,-0.3 -0.981 25.5 141.7-145.1 126.5 34.2 13.3 19.5 61 271 A H > - 0 0 0 -2,-0.3 3,-1.7 25,-0.2 8,-0.1 -0.964 60.6 -86.7-156.1 173.1 33.2 16.8 18.2 62 272 A G T 3 S+ 0 0 54 -2,-0.3 4,-0.1 1,-0.3 7,-0.0 0.533 114.0 68.0 -64.0 -8.8 30.3 18.7 16.7 63 273 A G T 3 S+ 0 0 19 2,-0.1 2,-0.3 203,-0.0 -1,-0.3 0.394 86.3 86.3 -90.8 3.5 31.0 17.8 13.1 64 274 A M S < S- 0 0 12 -3,-1.7 5,-0.0 1,-0.1 -4,-0.0 -0.800 86.4-109.5-103.1 143.7 30.0 14.1 13.8 65 275 A I >> - 0 0 40 -2,-0.3 4,-1.9 1,-0.1 3,-0.9 -0.329 35.0-105.2 -69.0 157.6 26.4 12.9 13.7 66 276 A Q H 3> S+ 0 0 152 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.849 117.1 54.3 -49.7 -47.5 24.7 12.0 16.9 67 277 A E H 3> S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.795 108.9 49.8 -64.4 -27.5 24.9 8.2 16.6 68 278 A D H <> S+ 0 0 16 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.913 109.8 49.1 -76.2 -42.7 28.7 8.4 16.0 69 279 A R H X S+ 0 0 67 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.915 114.2 48.1 -60.1 -40.9 29.3 10.5 19.1 70 280 A F H X S+ 0 0 130 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.939 112.6 46.0 -64.3 -50.5 27.1 8.1 21.1 71 281 A D H X S+ 0 0 9 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.877 111.5 52.8 -63.4 -36.6 28.9 5.0 19.8 72 282 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.912 108.7 50.1 -67.0 -37.3 32.3 6.5 20.4 73 283 A M H X S+ 0 0 21 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.832 107.5 54.6 -69.5 -30.2 31.4 7.3 24.0 74 284 A N H X S+ 0 0 35 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.907 105.0 52.0 -70.7 -37.6 30.2 3.8 24.5 75 285 A E H <>S+ 0 0 3 -4,-1.8 5,-2.7 2,-0.2 6,-0.4 0.859 111.0 49.2 -63.3 -35.6 33.5 2.4 23.4 76 286 A F H ><5S+ 0 0 8 -4,-1.4 3,-1.5 3,-0.2 -2,-0.2 0.934 109.4 51.1 -67.9 -46.4 35.2 4.7 25.9 77 287 A K H 3<5S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.811 109.3 51.6 -60.1 -31.2 32.8 3.5 28.6 78 288 A R T 3<5S- 0 0 104 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.534 115.2-119.0 -84.0 -6.5 33.7 -0.1 27.8 79 289 A G T < 5 + 0 0 57 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.756 66.5 142.5 76.7 24.9 37.4 0.8 28.1 80 290 A E S - 0 0 15 -27,-1.4 3,-2.0 -2,-0.3 4,-0.3 -0.501 59.0 -82.6 -98.9 178.8 35.4 19.4 22.2 88 298 A D G >> S+ 0 0 35 -51,-0.4 3,-1.6 1,-0.3 4,-0.9 0.670 118.7 80.3 -58.5 -19.6 33.0 20.5 24.9 89 299 A V G 34 S+ 0 0 27 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.828 87.2 59.1 -59.6 -27.3 30.1 18.7 23.2 90 300 A A G <4 S+ 0 0 7 -3,-2.0 -1,-0.3 -30,-0.3 -2,-0.2 0.733 100.9 55.5 -72.7 -22.0 31.5 15.5 24.8 91 301 A A T X4 S+ 0 0 2 -3,-1.6 3,-1.0 -4,-0.3 2,-0.6 0.678 85.1 96.2 -82.9 -20.5 31.1 17.1 28.3 92 302 A R T 3< S- 0 0 158 -4,-0.9 3,-0.1 -3,-0.5 25,-0.0 -0.618 107.0 -4.8 -78.1 120.0 27.4 17.8 27.8 93 303 A G T 3 S+ 0 0 74 -2,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.470 92.6 168.3 78.5 0.8 25.2 15.1 29.3 94 304 A I < + 0 0 33 -3,-1.0 -1,-0.3 1,-0.1 -3,-0.1 -0.201 9.5 164.6 -48.3 130.6 28.4 13.2 30.0 95 305 A D + 0 0 115 -3,-0.1 2,-0.2 3,-0.0 -1,-0.1 0.240 15.0 142.3-138.0 12.1 27.6 10.3 32.3 96 306 A I - 0 0 13 1,-0.1 3,-0.1 3,-0.0 -22,-0.0 -0.413 59.0-121.7 -61.4 126.4 30.6 8.0 32.1 97 307 A E S S- 0 0 118 -2,-0.2 2,-0.3 1,-0.1 26,-0.1 0.810 82.7 -6.9 -35.6 -52.9 31.1 6.6 35.6 98 308 A N - 0 0 21 24,-0.1 2,-0.4 -21,-0.1 23,-0.2 -0.993 46.1-169.8-155.6 144.0 34.7 7.9 36.0 99 309 A I - 0 0 5 21,-1.7 23,-0.3 -2,-0.3 30,-0.2 -0.981 13.3-161.3-131.3 118.1 37.5 9.7 34.0 100 310 A S S S+ 0 0 25 -2,-0.4 29,-1.6 -68,-0.4 2,-0.4 0.850 72.3 29.6 -70.5 -37.2 40.8 9.7 35.9 101 311 A L E -df 33 129A 3 -69,-1.6 -67,-2.1 27,-0.2 2,-0.5 -0.990 57.9-169.0-131.8 131.1 42.5 12.5 34.1 102 312 A V E -df 34 130A 0 27,-2.4 29,-2.7 -2,-0.4 2,-0.5 -0.979 9.4-168.2-115.7 128.4 41.2 15.6 32.3 103 313 A I E -df 35 131A 0 -69,-2.4 -67,-2.1 -2,-0.5 2,-1.4 -0.974 14.0-153.5-118.1 117.8 43.7 17.5 30.1 104 314 A N E +df 36 132A 0 27,-2.8 29,-2.7 -2,-0.5 -67,-0.1 -0.715 17.3 177.3 -89.8 87.5 42.7 20.9 28.9 105 315 A Y S S+ 0 0 13 -2,-1.4 2,-0.5 -69,-1.0 -1,-0.2 0.868 83.0 30.7 -56.8 -39.2 44.9 20.9 25.8 106 316 A D S S- 0 0 8 -70,-1.5 -1,-0.2 -3,-0.2 28,-0.1 -0.993 102.4-119.2-117.7 125.5 43.3 24.3 25.0 107 317 A L - 0 0 1 26,-0.5 2,-0.2 -2,-0.5 -2,-0.0 -0.370 36.1-102.4 -62.8 142.2 42.3 26.2 28.2 108 318 A P - 0 0 2 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.499 24.3-156.0 -69.4 136.1 38.6 26.9 28.3 109 319 A L S S+ 0 0 61 -2,-0.2 2,-0.4 1,-0.1 3,-0.1 0.368 82.8 60.8 -94.0 4.7 37.8 30.5 27.4 110 320 A E S >> S- 0 0 124 1,-0.1 3,-1.1 34,-0.0 4,-0.5 -0.995 82.4-141.2-130.6 119.6 34.5 30.4 29.3 111 321 A K H >> S+ 0 0 80 -2,-0.4 3,-1.1 1,-0.3 4,-0.8 0.800 97.1 62.0 -53.0 -39.5 35.0 29.8 33.0 112 322 A E H 3> S+ 0 0 95 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.855 95.2 64.7 -58.2 -34.7 31.9 27.6 33.4 113 323 A S H <> S+ 0 0 17 -3,-1.1 4,-2.6 1,-0.2 -1,-0.3 0.808 90.7 63.3 -58.4 -34.0 33.5 25.1 31.0 114 324 A Y H < S+ 0 0 88 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.895 104.4 54.5 -59.6 -42.1 31.9 21.2 33.2 117 327 A R H 3< S+ 0 0 11 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.787 107.6 49.1 -64.8 -29.0 34.9 19.4 31.8 118 328 A T T >< S+ 0 0 8 -4,-0.9 3,-2.2 -3,-0.4 -1,-0.3 0.350 77.8 117.0 -92.4 8.0 35.8 17.9 35.2 119 329 A G T < S+ 0 0 14 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.705 80.9 34.1 -47.4 -31.9 32.2 16.7 35.7 120 330 A R T 3 S+ 0 0 55 -3,-0.4 -21,-1.7 -4,-0.1 2,-0.4 0.110 101.2 96.7-115.4 23.6 33.0 13.0 35.8 121 331 A T S < S+ 0 0 1 -3,-2.2 7,-0.1 -23,-0.2 -21,-0.1 -0.874 83.1 11.2-114.3 144.6 36.4 13.2 37.6 122 332 A G S S+ 0 0 0 -2,-0.4 -118,-2.3 -23,-0.3 3,-0.3 0.731 88.6 140.3 66.4 26.3 37.1 12.8 41.3 123 333 A R > + 0 0 84 -3,-0.2 3,-2.0 -120,-0.2 -1,-0.2 -0.702 56.4 6.8-104.6 155.5 33.7 11.5 42.3 124 334 A A T 3 S- 0 0 81 1,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.822 134.3 -44.2 49.6 43.1 32.7 8.7 44.7 125 335 A G T 3 S+ 0 0 50 -123,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.283 102.5 132.5 91.3 -14.2 36.1 8.1 46.2 126 336 A N < - 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0 0 166 -2,-0.3 3,-1.5 122,-0.1 4,-0.3 -0.546 37.0-113.8 -81.3 150.4 19.7 9.7 -6.2 170 224 B E G > S+ 0 0 73 1,-0.3 3,-1.7 -2,-0.2 4,-0.4 0.892 115.3 55.9 -48.6 -48.3 19.5 7.8 -2.9 171 225 B E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.670 107.6 48.7 -61.0 -21.9 16.9 5.4 -4.2 172 226 B N G <> S+ 0 0 79 -3,-1.5 4,-1.9 1,-0.1 -1,-0.3 0.297 82.1 97.9-103.0 8.0 19.0 4.3 -7.1 173 227 B K H <> S+ 0 0 0 -3,-1.7 4,-2.5 -4,-0.3 -1,-0.1 0.895 81.2 49.4 -66.2 -39.9 22.2 3.6 -5.2 174 228 B F H > S+ 0 0 29 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.926 110.3 49.4 -68.3 -41.0 21.7 -0.1 -4.9 175 229 B S H > S+ 0 0 73 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.933 113.5 49.2 -59.7 -43.4 21.0 -0.7 -8.6 176 230 B L H X S+ 0 0 19 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.897 106.9 55.0 -62.3 -42.6 24.1 1.4 -9.3 177 231 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.895 104.2 53.8 -59.5 -41.4 26.2 -0.6 -6.8 178 232 B K H X S+ 0 0 79 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.923 110.1 47.7 -59.9 -43.4 25.3 -3.9 -8.6 179 233 B D H X S+ 0 0 86 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.927 110.7 50.9 -62.8 -45.6 26.5 -2.5 -11.9 180 234 B V H X S+ 0 0 7 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.922 110.3 49.2 -59.1 -45.1 29.7 -1.2 -10.4 181 235 B L H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.873 111.6 50.3 -63.1 -35.5 30.5 -4.6 -8.8 182 236 B M H < S+ 0 0 142 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.936 116.0 40.5 -66.8 -48.3 29.8 -6.3 -12.2 183 237 B T H < S+ 0 0 99 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.906 124.5 35.8 -69.2 -44.2 32.1 -4.0 -14.1 184 238 B E H < S- 0 0 71 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.742 79.5-167.3 -82.3 -26.2 34.9 -3.8 -11.6 185 239 B N < - 0 0 115 -4,-1.9 -3,-0.1 -5,-0.4 -4,-0.1 0.863 21.7-158.2 34.8 58.1 34.6 -7.4 -10.4 186 240 B P - 0 0 8 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.280 24.7-141.7 -65.7 145.4 36.9 -6.6 -7.4 187 241 B D S S+ 0 0 112 1,-0.3 2,-0.3 52,-0.0 -2,-0.1 0.890 92.6 6.6 -71.8 -39.5 38.8 -9.3 -5.5 188 242 B S S S+ 0 0 27 66,-0.1 69,-1.5 2,-0.0 68,-0.5 -0.994 73.5 180.0-143.7 146.1 38.1 -7.4 -2.3 189 243 B C E -ij 239 257B 0 49,-2.3 51,-2.3 -2,-0.3 2,-0.4 -0.990 16.4-158.7-153.6 137.3 36.0 -4.4 -1.6 190 244 B I E -ij 240 258B 1 67,-1.8 69,-2.4 -2,-0.3 2,-0.5 -0.972 12.5-160.0-116.6 131.2 35.0 -2.2 1.4 191 245 B I E -ij 241 259B 0 49,-2.7 51,-2.6 -2,-0.4 2,-0.4 -0.961 9.4-150.5-116.1 114.7 31.8 -0.1 1.1 192 246 B F E -ij 242 260B 0 67,-2.7 70,-1.5 -2,-0.5 69,-1.3 -0.723 15.3-178.1 -92.4 132.2 31.4 2.8 3.5 193 247 B C - 0 0 1 49,-2.7 51,-0.4 -2,-0.4 3,-0.0 -0.843 29.9-131.1-122.4 161.4 28.1 4.1 4.7 194 248 B R S S+ 0 0 66 -2,-0.3 2,-0.3 49,-0.1 -1,-0.1 0.901 85.7 33.0 -79.4 -40.9 27.1 7.0 7.0 195 249 B T S > S- 0 0 18 1,-0.1 4,-2.2 47,-0.1 3,-0.3 -0.830 72.4-123.6-122.0 155.1 24.8 5.1 9.4 196 250 B K H > S+ 0 0 48 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.782 114.4 59.1 -64.9 -25.2 24.4 1.7 10.9 197 251 B E H > S+ 0 0 140 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.906 106.6 46.8 -69.0 -38.4 20.9 1.5 9.5 198 252 B H H > S+ 0 0 35 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.916 112.9 50.0 -66.4 -42.9 22.4 2.0 6.0 199 253 B V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.943 113.2 45.3 -60.3 -49.4 25.0 -0.7 6.8 200 254 B N H X S+ 0 0 46 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.935 115.6 45.8 -61.0 -49.0 22.4 -3.2 8.0 201 255 B Q H X S+ 0 0 100 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 114.7 47.6 -61.2 -45.8 20.0 -2.6 5.1 202 256 B L H X S+ 0 0 2 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.898 109.7 52.2 -64.8 -41.6 22.8 -2.8 2.5 203 257 B T H X S+ 0 0 11 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.932 111.0 48.5 -60.1 -44.9 24.3 -6.0 3.9 204 258 B D H X S+ 0 0 97 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.904 112.9 47.4 -62.3 -42.2 20.9 -7.6 3.8 205 259 B E H X S+ 0 0 53 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.927 114.4 45.8 -65.9 -45.4 20.3 -6.5 0.2 206 260 B L H ><>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-0.8 0.935 113.8 50.6 -61.7 -45.2 23.8 -7.7 -0.9 207 261 B D H ><5S+ 0 0 100 -4,-2.9 3,-1.0 -5,-0.3 -2,-0.2 0.867 107.6 51.6 -63.0 -37.7 23.3 -10.9 0.9 208 262 B D H 3<5S+ 0 0 105 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.614 105.5 56.2 -77.3 -10.9 19.9 -11.7 -0.6 209 263 B L T <<5S- 0 0 76 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.466 125.9 -99.5 -95.3 -2.6 21.2 -11.2 -4.1 210 264 B G T < 5S+ 0 0 58 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.680 81.3 130.1 96.9 18.0 23.9 -13.8 -3.5 211 265 B Y < - 0 0 58 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.851 54.5-138.2-103.7 97.8 27.0 -11.7 -2.7 212 266 B P + 0 0 92 0, 0.0 27,-0.9 0, 0.0 26,-0.6 -0.306 44.1 143.2 -56.2 134.0 28.4 -13.1 0.5 213 267 B C E -k 239 0B 20 25,-0.1 2,-0.3 24,-0.1 27,-0.2 -0.889 33.9-147.4-155.9-178.4 29.5 -10.2 2.7 214 268 B D E -k 240 0B 53 25,-1.7 27,-2.6 -2,-0.3 2,-0.3 -0.931 13.1-139.6-152.8 175.5 29.7 -9.0 6.3 215 269 B K E -k 241 0B 55 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.947 11.0-166.2-143.9 161.5 29.4 -5.8 8.2 216 270 B I + 0 0 0 25,-1.9 27,-0.3 -2,-0.3 2,-0.3 -0.985 19.9 159.0-144.5 142.0 30.8 -3.7 11.0 217 271 B H > - 0 0 22 -2,-0.3 3,-2.0 25,-0.2 8,-0.1 -0.957 54.6 -87.5-155.4 167.9 29.2 -0.6 12.6 218 272 B G T 3 S+ 0 0 3 -2,-0.3 -143,-0.1 1,-0.3 7,-0.0 0.624 115.3 69.3 -57.3 -18.0 29.4 1.4 15.8 219 273 B G T 3 S+ 0 0 44 2,-0.1 2,-0.3 -145,-0.0 -1,-0.3 0.660 85.6 87.2 -75.9 -14.3 26.8 -0.7 17.6 220 274 B M S < S- 0 0 35 -3,-2.0 -4,-0.0 1,-0.1 2,-0.0 -0.640 82.5-115.9 -88.8 140.7 29.2 -3.7 17.7 221 275 B I >> - 0 0 66 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.314 35.3 -99.2 -72.2 158.6 31.8 -4.2 20.4 222 276 B Q H 3> S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.834 116.2 48.2 -46.1 -51.9 35.5 -4.1 19.6 223 277 B E H 3> S+ 0 0 130 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.860 111.0 51.1 -67.0 -30.8 36.4 -7.8 19.4 224 278 B D H <> S+ 0 0 78 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.926 112.3 47.7 -68.3 -40.6 33.4 -8.6 17.1 225 279 B R H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.927 114.2 47.4 -62.5 -44.8 34.5 -5.7 14.9 226 280 B F H X S+ 0 0 48 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.913 111.5 49.5 -64.0 -45.0 38.1 -6.9 14.9 227 281 B D H X S+ 0 0 76 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.944 111.9 48.5 -61.2 -45.5 37.1 -10.5 14.2 228 282 B V H X S+ 0 0 17 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.941 113.6 46.7 -60.1 -46.7 34.9 -9.5 11.2 229 283 B M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.873 111.0 52.0 -64.4 -37.0 37.7 -7.3 9.8 230 284 B N H X S+ 0 0 64 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.898 108.7 51.0 -66.2 -37.4 40.3 -10.0 10.3 231 285 B E H X>S+ 0 0 61 -4,-2.3 5,-2.3 2,-0.2 4,-0.5 0.897 108.4 51.7 -65.6 -38.5 38.1 -12.5 8.4 232 286 B F H ><5S+ 0 0 8 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.902 108.6 51.3 -63.1 -40.8 37.7 -10.0 5.6 233 287 B K H 3<5S+ 0 0 105 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.801 107.5 54.3 -66.7 -27.6 41.5 -9.7 5.5 234 288 B R H 3<5S- 0 0 159 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.537 117.0-114.3 -81.5 -10.2 41.6 -13.5 5.3 235 289 B G T <<5 + 0 0 57 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.719 67.8 143.7 84.0 21.4 39.3 -13.6 2.3 236 290 B E S - 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0 0 5 -2,-0.4 35,-0.0 26,-0.2 -2,-0.0 -0.479 39.0-107.0 -72.5 142.6 29.9 10.6 1.2 264 318 B P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.354 16.6-132.9 -69.4 154.9 31.9 11.2 4.4 265 319 B L S S+ 0 0 46 1,-0.1 2,-0.4 -71,-0.1 3,-0.1 0.640 90.0 50.1 -81.0 -18.6 31.0 14.1 6.6 266 320 B E S >> S- 0 0 31 1,-0.1 4,-0.8 34,-0.0 3,-0.7 -0.980 78.8-133.2-125.0 137.2 34.6 15.3 7.0 267 321 B K H >> S+ 0 0 60 -2,-0.4 4,-0.9 1,-0.3 3,-0.8 0.847 105.7 58.8 -55.9 -37.3 37.1 15.8 4.3 268 322 B E H >> S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.891 96.5 62.8 -62.2 -36.8 39.8 13.9 6.1 269 323 B S H <> S+ 0 0 13 -3,-0.7 4,-2.6 1,-0.3 -1,-0.2 0.816 94.5 60.2 -58.5 -32.1 37.6 10.8 6.2 270 324 B Y H < S+ 0 0 2 -4,-2.6 3,-1.8 -5,-0.2 -2,-0.2 0.973 114.6 43.7 -69.0 -57.1 38.7 5.7 3.6 274 328 B T H >< S+ 0 0 7 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.603 98.3 77.3 -66.1 -10.4 40.4 5.7 0.2 275 329 B G T 3< S+ 0 0 44 -4,-1.0 -21,-0.4 1,-0.2 -1,-0.3 0.667 77.6 73.4 -73.5 -14.2 43.7 5.0 1.9 276 330 B R T < S+ 0 0 32 -3,-1.8 -21,-3.2 -4,-0.2 2,-0.3 0.517 97.2 55.0 -76.9 -3.5 42.6 1.4 2.2 277 331 B T B < S+m 255 0C 3 -3,-1.2 7,-0.2 -23,-0.3 -21,-0.1 -0.923 86.2 45.7-127.0 151.2 43.2 0.9 -1.5 278 332 B G - 0 0 20 -23,-0.6 -24,-0.4 -2,-0.3 2,-0.3 0.296 51.6-152.1 93.9 141.3 46.3 1.6 -3.6 279 333 B R B > -N 282 0D 127 3,-2.7 3,-1.1 -119,-0.4 -1,-0.0 -0.991 39.2 -90.9-149.0 150.0 50.0 0.8 -3.2 280 334 B A T 3 S+ 0 0 108 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.739 129.0 10.3 -26.1 -48.6 53.3 2.4 -4.3 281 335 B G T 3 S+ 0 0 76 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.410 119.8 77.2-117.8 -1.0 53.2 0.2 -7.4 282 336 B N B < S-N 279 0D 81 -3,-1.1 -3,-2.7 -122,-0.0 -1,-0.1 -0.871 75.8-140.6-117.0 99.3 49.6 -1.2 -7.2 283 337 B K - 0 0 121 -2,-0.6 -122,-0.2 -5,-0.2 -5,-0.2 -0.287 17.6-154.0 -60.1 131.1 47.0 1.4 -8.3 284 338 B G E -g 161 0B 5 -124,-2.3 -122,-2.3 -7,-0.2 2,-0.4 -0.355 4.4-133.8 -98.4-178.7 43.8 1.4 -6.3 285 339 B K E -g 162 0B 32 -29,-0.4 -27,-2.6 -30,-0.3 2,-0.4 -0.992 16.0-176.9-143.3 129.6 40.3 2.5 -7.2 286 340 B A E -gl 163 258B 0 -124,-2.7 -122,-2.3 -2,-0.4 2,-0.4 -0.976 4.2-174.9-131.2 118.8 37.8 4.7 -5.2 287 341 B I E -gl 164 259B 3 -29,-2.4 -27,-2.8 -2,-0.4 2,-0.4 -0.938 6.5-163.2-114.5 132.6 34.3 5.3 -6.4 288 342 B S E -gl 165 260B 1 -124,-2.5 -122,-2.9 -2,-0.4 2,-0.5 -0.953 12.2-144.4-121.9 134.1 31.9 7.7 -4.7 289 343 B F E -g 166 0B 0 -29,-2.6 2,-0.5 -2,-0.4 -122,-0.2 -0.833 23.2-168.4 -92.8 127.7 28.1 8.0 -5.0 290 344 B V E -g 167 0B 7 -124,-2.7 -122,-2.6 -2,-0.5 2,-0.1 -0.970 5.7-158.7-125.4 128.8 27.0 11.7 -4.7 291 345 B T > - 0 0 11 -2,-0.5 3,-1.6 -124,-0.2 -122,-0.1 -0.456 37.4 -99.2 -95.9 172.7 23.5 12.9 -4.3 292 346 B A T 3 S+ 0 0 79 1,-0.3 3,-0.5 -2,-0.1 -123,-0.1 0.698 120.2 55.9 -63.7 -20.7 22.0 16.4 -5.1 293 347 B F T 3 S+ 0 0 190 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.206 97.3 63.9 -98.5 16.4 22.3 17.4 -1.4 294 348 B E <> + 0 0 17 -3,-1.6 4,-1.9 1,-0.1 -1,-0.2 0.194 58.7 114.6-123.9 15.9 26.0 16.7 -1.0 295 349 B K H > S+ 0 0 155 -3,-0.5 4,-2.1 1,-0.2 5,-0.1 0.857 79.7 50.2 -56.0 -37.4 27.6 19.2 -3.4 296 350 B R H > S+ 0 0 221 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 107.0 50.8 -71.8 -41.2 29.3 21.1 -0.6 297 351 B F H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.878 112.3 51.3 -63.3 -32.7 30.8 18.1 1.1 298 352 B L H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 107.4 49.9 -69.4 -44.0 32.2 17.2 -2.3 299 353 B A H X S+ 0 0 56 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.870 110.4 52.3 -61.7 -35.8 33.7 20.6 -3.0 300 354 B D H X S+ 0 0 51 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.862 109.8 48.1 -67.7 -38.5 35.4 20.5 0.4 301 355 B I H X S+ 0 0 2 -4,-1.5 4,-2.7 2,-0.2 5,-0.2 0.934 112.4 48.7 -68.3 -44.2 36.9 17.1 -0.4 302 356 B E H X>S+ 0 0 25 -4,-2.6 4,-1.1 1,-0.2 5,-1.1 0.867 112.4 47.9 -64.6 -36.0 38.1 18.3 -3.8 303 357 B E H <5S+ 0 0 161 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.879 113.2 49.9 -71.0 -36.4 39.7 21.4 -2.2 304 358 B Y H <5S+ 0 0 105 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.920 114.3 41.4 -68.5 -45.7 41.3 19.3 0.5 305 359 B I H <5S- 0 0 38 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.664 110.5-120.3 -78.6 -15.3 42.9 16.7 -1.8 306 360 B G T <5S+ 0 0 63 -4,-1.1 2,-0.3 -5,-0.2 -3,-0.2 0.623 78.1 63.5 90.4 11.9 43.9 19.3 -4.4 307 361 B F S