==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 29-SEP-11 3U1E . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR C.Y.KOH,J.E.KIM,S.SHIBATA,E.FAN,C.L.M.J.VERLINDE,W.G.J.HOL . 1062 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 740 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 38 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 398 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 3.5 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 3 3 2 2 7 4 3 1 1 0 0 0 2 1 2 1 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 0 3 1 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 . 8 4 7 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 238 A V 0 0 180 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.3 5.0 -9.3 41.7 2 239 A E + 0 0 133 3,-0.0 2,-0.3 2,-0.0 267,-0.0 -0.731 360.0 145.8 -81.5 131.3 2.3 -11.2 43.6 3 240 A K - 0 0 38 -2,-0.4 2,-0.6 39,-0.1 39,-0.3 -0.911 57.1 -79.1-161.3 161.2 1.3 -8.9 46.3 4 241 A V - 0 0 13 265,-2.4 2,-0.4 -2,-0.3 39,-0.2 -0.758 50.7-121.1 -79.9 123.5 -1.7 -7.7 48.4 5 242 A F E -a 43 0A 26 37,-2.9 39,-2.7 -2,-0.6 2,-0.6 -0.556 33.0-159.3 -66.4 121.5 -3.7 -5.3 46.3 6 243 A F E +a 44 0A 0 -2,-0.4 268,-2.8 266,-0.3 269,-1.6 -0.924 17.0 171.2-116.6 112.4 -3.6 -2.1 48.3 7 244 A V E -ab 45 275A 0 37,-1.9 39,-2.2 -2,-0.6 2,-0.3 -0.974 8.7-171.8-125.5 138.8 -6.3 0.6 47.6 8 245 A T E -ab 46 276A 0 267,-2.2 269,-2.6 -2,-0.4 39,-0.2 -0.878 16.9-151.1-130.1 153.2 -6.9 3.7 49.7 9 246 A S E - 0 0 0 37,-1.8 269,-0.1 -2,-0.3 17,-0.1 -0.718 45.1 -88.3-104.0 167.3 -9.3 6.6 50.1 10 247 A P E - 0 0 5 0, 0.0 38,-0.7 0, 0.0 2,-0.5 -0.357 40.8-117.4 -62.9 160.1 -8.2 10.0 51.4 11 248 A I E -a 48 0A 0 36,-0.2 38,-0.3 38,-0.1 2,-0.2 -0.927 39.1-130.3 -99.0 130.9 -8.3 10.4 55.2 12 249 A Y E -a 49 0A 8 36,-2.5 38,-2.8 -2,-0.5 66,-0.1 -0.572 8.8-110.2 -96.1 142.8 -10.8 13.1 55.9 13 250 A Y E -a 50 0A 13 1052,-1.5 3,-0.4 -2,-0.2 38,-0.2 -0.355 21.8-146.1 -59.0 144.1 -10.7 16.2 58.1 14 251 A V + 0 0 0 36,-0.9 60,-0.2 1,-0.2 -1,-0.1 -0.094 67.5 111.2-109.7 33.4 -12.9 15.9 61.2 15 252 A N S S+ 0 0 60 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.681 87.4 14.3 -75.0 -22.1 -13.9 19.5 61.4 16 253 A A S S- 0 0 51 -3,-0.4 3,-0.1 1,-0.0 -1,-0.1 -0.945 95.9 -73.0-148.4 169.1 -17.5 18.6 60.4 17 254 A A - 0 0 53 -2,-0.3 -2,-0.1 1,-0.1 58,-0.1 -0.173 62.1 -87.9 -62.0 152.5 -19.9 15.7 60.0 18 255 A P + 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.340 53.8 176.5 -63.7 145.6 -19.4 13.3 57.0 19 256 A H >> - 0 0 99 -3,-0.1 4,-1.9 308,-0.1 3,-1.1 -0.788 47.0 -69.3-141.8-178.4 -21.1 14.2 53.8 20 257 A I H 3> S+ 0 0 10 306,-0.5 4,-2.9 1,-0.3 5,-0.2 0.791 122.8 60.1 -50.1 -39.4 -21.5 13.0 50.2 21 258 A G H 3> S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.912 110.0 41.6 -57.5 -43.5 -17.9 13.9 49.2 22 259 A H H <> S+ 0 0 24 -3,-1.1 4,-2.2 2,-0.2 5,-0.2 0.910 114.6 51.5 -69.5 -43.5 -16.5 11.5 51.8 23 260 A V H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.905 110.6 49.3 -61.8 -41.7 -19.0 8.8 51.0 24 261 A Y H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.950 111.0 48.0 -61.8 -54.0 -18.2 9.0 47.3 25 262 A S H X S+ 0 0 6 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.897 114.6 45.3 -55.5 -45.8 -14.5 8.7 47.7 26 263 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.877 109.4 57.3 -71.0 -34.6 -14.7 5.8 50.0 27 264 A L H X S+ 0 0 3 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.928 107.1 47.6 -55.1 -48.8 -17.3 4.2 47.7 28 265 A I H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.935 112.7 49.0 -61.0 -47.6 -14.8 4.3 44.8 29 266 A T H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.931 112.7 49.1 -54.0 -45.9 -12.1 2.8 47.1 30 267 A D H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.872 109.7 50.0 -64.7 -41.3 -14.6 0.1 48.2 31 268 A V H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.943 110.8 48.9 -64.7 -46.8 -15.6 -0.8 44.6 32 269 A I H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.946 113.8 48.0 -57.6 -48.6 -12.0 -1.2 43.4 33 270 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.922 111.2 49.8 -56.4 -47.2 -11.3 -3.3 46.5 34 271 A R H X S+ 0 0 41 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.895 106.3 55.8 -63.4 -40.5 -14.4 -5.5 45.9 35 272 A Y H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.923 108.4 47.5 -59.5 -44.8 -13.6 -6.1 42.3 36 273 A H H <>S+ 0 0 5 -4,-1.8 5,-2.4 1,-0.2 -1,-0.2 0.833 108.6 54.4 -67.6 -31.6 -10.1 -7.5 43.1 37 274 A R H ><5S+ 0 0 51 -4,-1.8 3,-1.8 3,-0.2 -1,-0.2 0.915 106.7 51.7 -65.7 -39.4 -11.5 -9.7 45.8 38 275 A V H 3<5S+ 0 0 20 -4,-2.2 462,-3.7 1,-0.3 -2,-0.2 0.822 103.2 58.0 -69.5 -28.9 -14.0 -11.2 43.2 39 276 A K T 3<5S- 0 0 36 -4,-1.7 462,-0.7 -5,-0.2 -1,-0.3 0.547 125.0-110.0 -66.5 -8.3 -10.9 -11.8 41.0 40 277 A G T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.616 71.7 140.1 87.5 16.4 -9.7 -13.9 43.9 41 278 A E < - 0 0 68 -5,-2.4 2,-0.4 1,-0.1 -1,-0.3 -0.557 60.7-104.6 -90.9 153.5 -6.8 -11.5 44.9 42 279 A R - 0 0 102 -39,-0.3 -37,-2.9 -2,-0.2 2,-0.4 -0.638 46.8-170.4 -68.4 131.2 -5.7 -10.5 48.4 43 280 A V E -a 5 0A 19 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.962 23.9-171.3-129.9 143.0 -7.0 -7.0 49.1 44 281 A F E -a 6 0A 11 -39,-2.7 -37,-1.9 -2,-0.4 2,-0.5 -0.944 13.4-170.8-130.1 113.6 -6.4 -4.4 51.8 45 282 A A E -a 7 0A 0 -2,-0.4 45,-1.7 -39,-0.2 46,-1.4 -0.910 7.8-165.6-109.8 130.0 -8.7 -1.4 51.5 46 283 A L E +ac 8 91A 0 -39,-2.2 -37,-1.8 -2,-0.5 2,-0.3 -0.917 18.0 152.5-124.8 138.0 -7.9 1.6 53.7 47 284 A T E + c 0 92A 2 44,-2.0 46,-2.8 -2,-0.4 2,-0.3 -0.901 15.2 126.2-144.9 174.6 -9.9 4.7 54.8 48 285 A G E -ac 11 93A 0 -38,-0.7 -36,-2.5 -2,-0.3 2,-0.4 -0.998 44.7 -56.8 167.8-156.4 -9.9 7.1 57.7 49 286 A T E -ac 12 94A 0 44,-2.4 46,-1.5 -38,-0.3 2,-0.7 -0.945 21.8-144.1-129.7 142.2 -9.7 10.5 59.4 50 287 A D E +a 13 0A 0 -38,-2.8 -36,-0.9 -2,-0.4 44,-0.1 -0.915 30.2 169.9-105.1 107.6 -7.1 13.3 59.4 51 288 A E + 0 0 0 -2,-0.7 2,-0.1 -38,-0.2 -1,-0.1 0.498 40.3 75.3-113.1 -7.2 -7.4 14.6 62.9 52 289 A H + 0 0 8 184,-0.1 4,-0.5 4,-0.1 171,-0.2 -0.390 59.2 68.3 -96.1 176.9 -4.5 17.1 63.5 53 290 A G S > S- 0 0 0 169,-2.4 4,-2.5 166,-0.2 5,-0.2 -0.125 85.7 -72.6 105.0 169.3 -3.9 20.6 62.4 54 291 A Q H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.883 124.3 57.8 -66.8 -42.0 -5.1 24.2 62.9 55 292 A K H > S+ 0 0 31 73,-0.4 4,-2.1 2,-0.2 3,-0.3 0.973 113.6 37.7 -50.9 -62.5 -8.3 23.5 60.9 56 293 A V H > S+ 0 0 0 -4,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.900 117.0 50.8 -58.7 -47.1 -9.4 20.7 63.1 57 294 A A H X S+ 0 0 7 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.817 112.2 46.8 -64.3 -33.5 -8.2 22.3 66.4 58 295 A E H X S+ 0 0 66 -4,-2.6 4,-1.9 -3,-0.3 -1,-0.2 0.822 109.4 53.8 -79.9 -30.9 -10.0 25.6 65.6 59 296 A A H X S+ 0 0 21 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.906 109.1 50.4 -60.7 -42.2 -13.1 23.7 64.6 60 297 A A H <>S+ 0 0 1 -4,-2.3 5,-1.4 1,-0.2 -2,-0.2 0.856 109.5 50.7 -62.6 -37.6 -12.9 22.0 68.1 61 298 A K H ><5S+ 0 0 155 -4,-1.3 3,-1.5 3,-0.2 -1,-0.2 0.868 103.5 57.1 -71.9 -36.8 -12.5 25.4 69.7 62 299 A Q H 3<5S+ 0 0 153 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.883 110.0 46.1 -60.3 -40.8 -15.6 26.9 68.0 63 300 A K T 3<5S- 0 0 155 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.355 113.7-126.1 -80.2 2.2 -17.6 24.0 69.5 64 301 A Q T < 5 + 0 0 172 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.948 67.4 116.6 50.7 64.2 -15.9 24.8 72.9 65 302 A V S - 0 0 44 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.345 34.0-125.1 -63.1 145.9 -11.2 19.5 73.9 67 304 A P H > S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.830 111.3 56.9 -62.1 -30.4 -9.6 18.4 70.6 68 305 A Y H > S+ 0 0 162 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.946 113.7 38.0 -62.4 -49.6 -9.3 14.8 72.0 69 306 A D H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.887 116.4 52.2 -70.1 -41.3 -13.1 14.6 72.6 70 307 A F H X S+ 0 0 20 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.953 112.6 43.1 -60.2 -53.2 -14.0 16.5 69.4 71 308 A T H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.879 113.3 52.5 -63.3 -39.7 -11.9 14.3 67.1 72 309 A T H X S+ 0 0 73 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.917 111.1 47.1 -63.1 -43.3 -13.1 11.1 68.8 73 310 A A H X S+ 0 0 61 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.964 116.8 42.0 -60.6 -51.5 -16.7 12.1 68.4 74 311 A V H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.887 110.9 54.8 -70.8 -39.7 -16.5 13.1 64.8 75 312 A A H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.913 107.4 53.8 -54.5 -42.1 -14.3 10.1 63.9 76 313 A G H X S+ 0 0 36 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.844 104.4 53.5 -58.4 -37.5 -17.1 8.1 65.4 77 314 A E H X S+ 0 0 94 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.880 109.6 48.8 -66.1 -37.9 -19.6 9.8 63.1 78 315 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.922 111.0 48.8 -65.3 -45.5 -17.5 8.8 60.1 79 316 A K H X S+ 0 0 77 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.922 113.1 47.4 -61.9 -45.6 -17.2 5.2 61.3 80 317 A K H X S+ 0 0 155 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.892 111.1 51.7 -60.4 -44.7 -20.9 4.9 61.8 81 318 A C H X S+ 0 0 18 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.916 111.8 45.7 -61.9 -44.9 -21.7 6.5 58.4 82 319 A F H X>S+ 0 0 12 -4,-2.4 5,-1.2 2,-0.2 4,-0.6 0.873 111.5 52.2 -68.3 -36.4 -19.4 4.1 56.6 83 320 A E H ><5S+ 0 0 151 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.928 110.4 49.2 -62.3 -41.5 -20.9 1.1 58.5 84 321 A Q H 3<5S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.840 105.1 57.9 -66.5 -33.1 -24.3 2.3 57.5 85 322 A M H 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.588 108.2-128.7 -74.9 -11.9 -23.2 2.6 53.9 86 323 A D T <<5 + 0 0 43 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.1 0.937 45.8 164.7 66.4 49.3 -22.2 -1.1 53.9 87 324 A Y < - 0 0 25 -5,-1.2 -1,-0.1 2,-0.0 -60,-0.1 -0.415 39.7-135.7 -83.5 169.7 -18.7 -0.8 52.6 88 325 A S + 0 0 43 -2,-0.1 2,-0.3 0, 0.0 -43,-0.2 -0.488 42.5 157.8-124.2 58.9 -16.1 -3.6 52.9 89 326 A I - 0 0 40 1,-0.1 -43,-0.2 -7,-0.1 3,-0.1 -0.643 35.5-147.6 -83.9 140.7 -13.1 -1.6 54.0 90 327 A D S S+ 0 0 55 -45,-1.7 2,-0.3 -2,-0.3 -44,-0.2 0.773 74.5 11.4 -85.9 -26.0 -10.4 -3.5 55.9 91 328 A Y E -c 46 0A 21 -46,-1.4 -44,-2.0 2,-0.0 2,-0.6 -0.969 53.7-151.2-155.2 140.9 -9.2 -0.8 58.2 92 329 A F E -c 47 0A 29 164,-0.4 2,-0.3 -2,-0.3 -44,-0.3 -0.938 27.1-159.5-109.6 110.0 -10.2 2.7 59.4 93 330 A I E -c 48 0A 0 -46,-2.8 -44,-2.4 -2,-0.6 2,-0.4 -0.666 9.4-163.4 -98.6 143.6 -7.1 4.7 60.4 94 331 A R E > -c 49 0A 51 -2,-0.3 3,-1.9 -46,-0.2 6,-0.2 -0.988 20.0-140.3-123.5 132.5 -6.9 7.7 62.6 95 332 A T T 3 S+ 0 0 0 -46,-1.5 -45,-0.1 -2,-0.4 -1,-0.1 0.619 101.3 67.0 -72.2 -9.9 -3.9 10.1 62.6 96 333 A T T 3 S+ 0 0 29 4,-0.1 -1,-0.3 -44,-0.0 2,-0.1 0.534 75.6 120.4 -79.9 -9.1 -4.1 10.4 66.5 97 334 A N <> - 0 0 32 -3,-1.9 4,-1.7 1,-0.1 3,-0.2 -0.350 68.7-134.5 -57.1 133.6 -3.2 6.7 66.6 98 335 A E H > S+ 0 0 114 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.828 104.4 52.3 -64.1 -34.7 0.0 6.2 68.6 99 336 A Q H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.837 105.3 56.1 -72.7 -32.3 1.5 3.8 66.0 100 337 A H H > S+ 0 0 0 -3,-0.2 4,-2.3 -6,-0.2 -2,-0.2 0.918 104.3 53.9 -59.7 -42.6 0.9 6.3 63.2 101 338 A K H X S+ 0 0 51 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.907 105.4 52.7 -61.1 -43.1 2.9 8.9 65.1 102 339 A A H X S+ 0 0 44 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.895 110.0 48.8 -56.2 -43.3 5.9 6.5 65.3 103 340 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.898 109.6 51.5 -68.3 -39.8 5.8 6.0 61.6 104 341 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.932 111.4 47.9 -60.4 -45.6 5.6 9.8 60.9 105 342 A K H X S+ 0 0 97 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.881 111.8 50.7 -61.4 -39.6 8.7 10.3 63.2 106 343 A E H X S+ 0 0 68 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 111.5 46.6 -65.6 -45.3 10.5 7.5 61.4 107 344 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.918 110.8 52.9 -65.9 -41.3 9.8 9.0 58.0 108 345 A W H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.918 108.3 50.0 -56.6 -45.6 10.8 12.5 59.1 109 346 A T H X S+ 0 0 54 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.889 109.0 52.8 -64.0 -39.4 14.1 11.2 60.4 110 347 A K H X S+ 0 0 74 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.941 110.3 46.8 -57.9 -51.9 14.7 9.4 57.0 111 348 A L H X>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 4,-0.5 0.894 114.8 47.9 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574 A Y H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.978 118.8 42.5 -71.4 -56.7 -28.3 1.3 49.0 338 575 A D H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.887 115.1 53.6 -55.6 -37.3 -27.1 -0.7 46.0 339 576 A A H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 109.0 46.6 -67.2 -42.2 -29.3 1.7 43.8 340 577 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.908 112.8 50.8 -65.5 -42.1 -27.7 4.9 45.2 341 578 A K H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.941 110.0 49.9 -58.5 -50.1 -24.3 3.4 44.8 342 579 A Y H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.934 111.0 49.7 -52.4 -48.9 -25.1 2.5 41.2 343 580 A F H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.952 110.2 48.5 -59.8 -51.2 -26.3 6.0 40.5 344 581 A L H X S+ 0 0 3 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.861 118.8 40.7 -57.7 -37.2 -23.2 7.7 41.9 345 582 A L H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.738 122.0 40.0 -85.1 -24.4 -20.9 5.4 39.9 346 583 A R H < S+ 0 0 42 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.832 107.5 59.2 -90.1 -39.0 -23.0 5.4 36.7 347 584 A E H < S+ 0 0 48 -4,-3.3 2,-0.3 -5,-0.3 -3,-0.1 0.816 111.1 30.5 -65.9 -33.2 -24.1 9.1 36.5 348 585 A S < - 0 0 6 -4,-0.6 2,-0.2 -5,-0.3 77,-0.1 -0.950 63.7-145.1-132.6 145.4 -20.6 10.6 36.4 349 586 A G > - 0 0 5 -2,-0.3 3,-1.6 76,-0.1 -40,-0.3 -0.577 40.7-101.7 -95.0 170.2 -17.1 9.8 35.3 350 587 A F T 3 S+ 0 0 14 1,-0.3 -1,-0.0 -2,-0.2 73,-0.0 0.750 121.6 60.9 -68.0 -23.8 -14.0 10.8 37.1 351 588 A S T 3 S+ 0 0 47 -43,-0.1 2,-0.3 -42,-0.1 -1,-0.3 0.677 101.2 73.5 -67.0 -19.4 -13.5 13.6 34.6 352 589 A D S < S- 0 0 76 -3,-1.6 2,-1.0 -43,-0.1 -43,-0.7 -0.717 75.5-132.5-112.5 148.1 -16.8 15.2 35.6 353 590 A D - 0 0 81 -2,-0.3 -42,-0.2 -44,-0.2 -3,-0.1 -0.860 45.6-143.9 -83.6 98.8 -18.4 17.1 38.4 354 591 A G - 0 0 6 -2,-1.0 -42,-1.7 -5,-0.2 2,-0.4 -0.146 7.3-141.9 -65.0 160.2 -21.6 14.9 38.6 355 592 A D E -n 312 0F 30 -44,-0.2 2,-0.4 -8,-0.1 -42,-0.2 -0.987 6.8-154.0-128.4 125.1 -25.1 16.1 39.4 356 593 A Y E +n 313 0F 0 -44,-2.2 -42,-2.5 -2,-0.4 2,-0.3 -0.814 20.9 160.8 -93.0 134.2 -27.7 14.4 41.5 357 594 A S > - 0 0 14 -2,-0.4 4,-2.4 -44,-0.2 5,-0.2 -0.972 44.8-127.7-139.9 151.1 -31.5 15.0 41.1 358 595 A D H > S+ 0 0 56 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.862 111.7 58.2 -59.0 -36.3 -34.4 12.8 42.3 359 596 A K H > S+ 0 0 163 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 110.7 38.8 -57.5 -54.4 -35.6 12.9 38.7 360 597 A N H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.825 113.8 55.7 -70.6 -33.4 -32.5 11.4 37.2 361 598 A M H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.932 110.5 45.5 -60.8 -46.4 -32.1 9.0 40.1 362 599 A I H X S+ 0 0 22 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.896 110.5 54.4 -65.5 -40.8 -35.6 7.6 39.5 363 600 A A H X S+ 0 0 55 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.937 112.4 42.5 -58.3 -49.0 -34.9 7.4 35.7 364 601 A R H X>S+ 0 0 41 -4,-2.4 4,-2.0 2,-0.2 5,-1.6 0.903 115.0 50.2 -67.2 -40.6 -31.8 5.3 36.2 365 602 A L H <>S+ 0 0 4 -4,-2.4 5,-3.0 -5,-0.2 6,-0.2 0.967 120.2 35.7 -58.9 -53.1 -33.5 3.1 38.9 366 603 A N H <>S+ 0 0 24 -4,-3.0 5,-3.2 3,-0.2 -2,-0.2 0.932 124.4 41.1 -65.9 -47.5 -36.5 2.5 36.7 367 604 A G H <5S+ 0 0 27 -4,-3.2 5,-0.2 -5,-0.3 -3,-0.2 0.900 130.2 16.3 -73.6 -45.5 -34.7 2.4 33.3 368 605 A E T X>S+ 0 0 28 -4,-2.0 5,-2.5 -5,-0.3 4,-0.5 0.903 131.8 34.9 -97.7 -52.3 -31.6 0.4 34.0 369 606 A L T 4XS+ 0 0 0 -5,-1.6 5,-3.2 3,-0.2 -3,-0.2 0.956 131.4 26.2 -75.3 -48.8 -32.0 -1.4 37.3 370 607 A A T 4XS+ 0 0 8 -5,-3.0 5,-2.4 -6,-0.2 6,-0.2 0.988 130.5 33.6 -74.5 -65.9 -35.7 -2.2 37.1 371 608 A D T 4< S+ 0 0 51 -4,-1.9 3,-0.5 1,-0.2 7,-0.2 0.941 110.8 42.8 -65.2 -49.0 -38.0 -13.5 32.9 380 617 A C H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.641 121.2 41.8 -78.0 -12.5 -35.4 -16.2 33.0 381 618 A T H 3< S+ 0 0 30 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.433 85.1 121.7-107.5 -4.1 -36.5 -17.5 36.4 382 619 A S < S+ 0 0 5 -4,-3.0 3,-1.5 -7,-0.2 -1,-0.2 -0.692 73.2 175.7 -92.4 78.4 -38.5 -21.7 33.0 387 624 A V T 3 S+ 0 0 82 -2,-1.3 -1,-0.2 1,-0.3 -4,-0.1 0.747 73.8 46.4 -65.4 -25.8 -41.1 -24.4 33.7 388 625 A N T 3 S- 0 0 123 2,-0.2 -1,-0.3 -3,-0.1 127,-0.1 0.433 103.3-126.3 -96.3 -0.2 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172.1 -28.0 -20.4 15.8 399 636 A E H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 127.1 51.3 -60.5 -40.5 -25.9 -17.5 14.5 400 637 A E H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.936 108.4 52.5 -61.7 -45.0 -28.0 -15.1 16.5 401 638 A D H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.937 111.8 47.4 -51.3 -47.8 -27.4 -17.3 19.6 402 639 A E H X S+ 0 0 73 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.812 102.6 59.0 -71.2 -32.4 -23.7 -17.1 18.9 403 640 A S H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.921 112.5 43.2 -61.7 -37.5 -23.5 -13.3 18.4 404 641 A L H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.911 110.4 53.7 -73.6 -44.0 -24.9 -13.0 21.9 405 642 A I H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 107.8 53.1 -54.7 -41.2 -22.6 -15.7 23.4 406 643 A Q H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.931 106.6 51.1 -62.6 -44.2 -19.7 -13.8 21.9 407 644 A L H X S+ 0 0 34 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.911 111.6 48.2 -58.4 -42.2 -20.7 -10.6 23.6 408 645 A I H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.6 49.7 -66.9 -38.8 -21.0 -12.4 26.9 409 646 A K H < S+ 0 0 117 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.857 112.7 46.6 -68.1 -37.4 -17.5 -14.1 26.4 410 647 A D H X S+ 0 0 22 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.723 94.0 81.1 -74.5 -23.6 -15.9 -10.7 25.6 411 648 A L H X S+ 0 0 6 -4,-1.3 4,-3.2 1,-0.2 5,-0.3 0.898 85.2 53.7 -57.0 -48.9 -17.4 -8.8 28.5 412 649 A P H > S+ 0 0 11 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.907 109.3 48.8 -56.0 -44.5 -15.1 -9.9 31.3 413 650 A G H > S+ 0 0 32 -4,-0.4 4,-1.9 -3,-0.2 -2,-0.2 0.890 115.6 44.6 -58.4 -42.2 -11.9 -8.8 29.4 414 651 A T H X S+ 0 0 18 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.938 115.2 46.2 -69.1 -49.4 -13.5 -5.4 28.6 415 652 A A H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.915 110.5 55.4 -60.5 -43.7 -14.9 -4.9 32.1 416 653 A D H X S+ 0 0 27 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.928 106.4 49.0 -53.9 -53.0 -11.6 -5.9 33.7 417 654 A H H X S+ 0 0 28 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 0.921 112.9 48.4 -55.5 -45.9 -9.6 -3.4 31.7 418 655 A Y H ><>S+ 0 0 24 -4,-2.0 5,-2.7 1,-0.2 3,-0.8 0.916 109.3 52.0 -63.1 -42.7 -12.0 -0.6 32.7 419 656 A Y H 3<5S+ 0 0 4 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.803 110.3 51.4 -60.8 -27.7 -11.9 -1.7 36.4 420 657 A L H 3<5S+ 0 0 40 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.591 109.4 45.8 -88.5 -14.8 -8.0 -1.5 36.2 421 658 A I T <<5S- 0 0 6 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.1 0.936 119.2-119.9 -58.8 -50.2 -7.7 2.0 34.7 422 659 A P T 5 + 0 0 1 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.625 68.0 143.0 -88.8 148.0 -9.8 2.6 36.9 423 660 A D >< + 0 0 29 -5,-2.7 4,-1.4 1,-0.1 -3,-0.1 -0.766 16.4 176.3-143.7 91.1 -12.9 3.9 35.1 424 661 A I H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.876 76.7 60.3 -71.6 -37.6 -15.9 2.4 36.9 425 662 A Q H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.941 107.2 45.9 -52.8 -49.8 -18.5 4.3 34.8 426 663 A K H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.839 109.2 55.3 -67.7 -32.3 -17.2 2.6 31.6 427 664 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.916 111.2 45.0 -61.4 -45.0 -17.2 -0.8 33.3 428 665 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.951 112.2 50.3 -64.3 -49.8 -20.8 -0.3 34.2 429 666 A I H X S+ 0 0 47 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.924 109.4 52.9 -56.6 -44.9 -21.8 0.9 30.8 430 667 A A H X S+ 0 0 12 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.907 110.4 47.0 -56.9 -44.0 -20.0 -2.1 29.2 431 668 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.3 0.934 112.7 48.5 -65.9 -43.9 -22.0 -4.5 31.4 432 669 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.784 103.2 60.7 -70.1 -26.8 -25.3 -2.8 30.7 433 670 A D H X S+ 0 0 75 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.891 108.9 45.7 -61.0 -39.4 -24.7 -2.8 26.9 434 671 A V H X S+ 0 0 12 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.899 110.5 52.2 -71.9 -39.2 -24.5 -6.6 27.3 435 672 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.912 108.4 51.5 -60.1 -44.1 -27.7 -6.7 29.4 436 673 A R H X S+ 0 0 97 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.885 108.9 51.1 -59.7 -39.6 -29.6 -4.6 26.8 437 674 A A H X S+ 0 0 27 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.873 108.8 50.9 -67.2 -35.7 -28.5 -7.1 24.1 438 675 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.932 110.5 50.3 -66.0 -42.8 -29.7 -10.1 26.2 439 676 A N H X S+ 0 0 20 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 110.4 48.0 -58.6 -47.1 -33.0 -8.3 26.6 440 677 A A H X S+ 0 0 50 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.839 111.2 51.9 -65.7 -32.8 -33.3 -7.7 22.9 441 678 A Y H X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.941 110.2 48.7 -64.6 -46.4 -32.5 -11.3 22.3 442 679 A V H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.928 112.1 48.0 -60.3 -46.0 -35.2 -12.4 24.7 443 680 A T H < S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.3 49.3 -60.2 -41.3 -37.8 -10.1 23.1 444 681 A D H < S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.8 41.7 -64.7 -41.7 -36.7 -11.4 19.7 445 682 A M H < S- 0 0 2 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.683 88.5-153.9 -84.0 -19.6 -37.0 -15.1 20.7 446 683 A A >X - 0 0 2 -4,-2.0 3,-1.5 -5,-0.2 4,-1.1 0.917 12.0-171.8 45.5 59.7 -40.2 -14.7 22.8 447 684 A P H 3> S+ 0 0 4 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.755 76.1 69.3 -57.6 -27.9 -39.4 -17.6 25.0 448 685 A W H >4 S+ 0 0 90 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.893 102.7 43.6 -55.0 -42.8 -42.9 -17.5 26.6 449 686 A K H X> S+ 0 0 118 -3,-1.5 4,-1.9 1,-0.2 3,-0.8 0.809 104.1 65.8 -71.9 -31.0 -44.4 -18.6 23.3 450 687 A L H 3X S+ 0 0 3 -4,-1.1 4,-2.2 1,-0.2 8,-0.3 0.720 82.6 76.9 -65.9 -20.9 -41.7 -21.3 22.9 451 688 A V H << S+ 0 0 49 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.914 112.6 22.5 -52.3 -48.2 -43.0 -23.2 26.0 452 689 A K H <4 S+ 0 0 97 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.835 131.0 44.9 -83.9 -38.3 -45.9 -24.5 23.8 453 690 A T H < S- 0 0 44 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.847 129.2 -0.4 -83.2 -41.4 -44.3 -24.2 20.4 454 691 A D X + 0 0 17 -4,-2.2 4,-2.1 -5,-0.1 -1,-0.2 -0.534 54.4 177.7-156.1 79.7 -40.7 -25.5 20.6 455 692 A P H > S+ 0 0 85 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.825 86.3 55.7 -55.6 -34.5 -39.5 -26.8 24.0 456 693 A E H > S+ 0 0 108 2,-0.2 4,-1.1 1,-0.2 3,-0.4 0.953 107.8 46.9 -63.7 -51.2 -36.1 -27.7 22.6 457 694 A R H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.882 107.7 58.4 -56.5 -40.1 -35.5 -24.2 21.2 458 695 A 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67,-0.1 -2,-0.1 66,-0.1 -0.775 43.2-125.8 -85.6 117.7 6.4 2.3 16.5 927 631 B P - 0 0 34 0, 0.0 3,-0.1 0, 0.0 63,-0.1 -0.305 15.4-146.8 -73.7 150.1 4.5 2.3 19.8 928 632 B A - 0 0 23 61,-0.4 62,-0.0 1,-0.2 61,-0.0 -0.038 56.9 -35.0 -88.2-159.4 6.0 2.6 23.3 929 633 B A - 0 0 81 1,-0.1 2,-0.4 -2,-0.1 -1,-0.2 -0.290 65.8-121.3 -66.0 143.9 4.6 0.8 26.4 930 634 B Y - 0 0 76 -3,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.713 18.1-147.8 -89.6 133.3 0.8 0.4 26.7 931 635 B T > - 0 0 16 -2,-0.4 4,-2.5 -744,-0.1 5,-0.2 -0.343 35.0-100.5 -80.7 173.8 -1.2 1.9 29.6 932 636 B E H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 -511,-0.1 0.909 126.9 52.3 -62.6 -40.9 -4.3 0.2 30.9 933 637 B E H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.937 108.7 50.0 -60.7 -46.3 -6.4 2.7 29.0 934 638 B D H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.937 110.7 50.2 -52.7 -48.6 -4.4 1.8 25.8 935 639 B E H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.845 105.2 56.8 -64.6 -34.0 -5.0 -1.9 26.5 936 640 B S H X S+ 0 0 11 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.927 111.0 43.2 -64.1 -42.2 -8.8 -1.3 27.0 937 641 B L H X S+ 0 0 6 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.906 111.6 53.8 -68.7 -42.4 -9.1 0.3 23.5 938 642 B I H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.884 105.8 54.5 -58.2 -37.9 -6.9 -2.4 21.9 939 643 B Q H X S+ 0 0 47 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.896 106.1 51.4 -64.6 -38.2 -9.2 -5.1 23.3 940 644 B L H X S+ 0 0 34 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.894 112.2 46.6 -64.7 -39.9 -12.2 -3.4 21.7 941 645 B I H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 112.7 49.0 -70.5 -42.6 -10.4 -3.4 18.4 942 646 B K H < S+ 0 0 111 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.856 114.2 46.7 -60.7 -37.0 -9.3 -7.0 18.8 943 647 B D H X S+ 0 0 17 -4,-2.2 4,-1.6 -5,-0.2 3,-0.4 0.742 94.1 80.1 -77.0 -25.0 -12.8 -8.1 19.7 944 648 B L H X S+ 0 0 5 -4,-1.2 4,-3.2 1,-0.2 5,-0.3 0.876 85.0 54.5 -57.7 -47.7 -14.5 -6.2 16.8 945 649 B P H > S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.884 109.2 48.0 -57.8 -41.5 -13.9 -8.6 13.9 946 650 B G H > S+ 0 0 1 -413,-0.4 4,-1.9 -4,-0.4 -410,-0.2 0.878 115.5 45.4 -64.4 -39.9 -15.5 -11.6 15.7 947 651 B T H X S+ 0 0 17 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.942 114.8 46.5 -66.1 -51.4 -18.5 -9.5 16.7 948 652 B A H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.896 110.1 55.5 -60.3 -40.6 -18.9 -8.0 13.3 949 653 B D H X S+ 0 0 2 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.923 106.3 49.8 -59.4 -46.8 -18.5 -11.5 11.7 950 654 B H H X S+ 0 0 14 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.922 113.0 46.9 -59.8 -42.9 -21.4 -13.0 13.8 951 655 B Y H ><>S+ 0 0 26 -4,-2.0 5,-2.9 1,-0.2 3,-0.8 0.928 110.8 51.0 -65.3 -43.8 -23.7 -10.1 12.9 952 656 B Y H 3<5S+ 0 0 4 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.845 111.2 51.2 -60.0 -32.8 -22.8 -10.3 9.1 953 657 B L H 3<5S+ 0 0 23 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.677 109.4 46.6 -80.9 -18.8 -23.5 -14.0 9.2 954 658 B I T <<5S- 0 0 9 -4,-1.0 -1,-0.2 -3,-0.8 -554,-0.2 0.899 119.6-118.1 -56.3 -49.1 -27.0 -13.8 10.9 955 659 B P T 5S+ 0 0 1 0, 0.0 2,-0.2 0, 0.0 -3,-0.2 0.623 70.1 141.3 -88.2 142.5 -27.3 -11.7 8.7 956 660 B D >< + 0 0 29 -5,-2.9 4,-1.7 1,-0.1 -3,-0.1 -0.763 15.4 173.4-140.7 89.3 -27.9 -8.4 10.6 957 661 B I H > S+ 0 0 1 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.859 75.9 61.6 -72.0 -34.5 -26.0 -5.7 8.8 958 662 B Q H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 108.2 43.6 -57.8 -44.2 -27.5 -2.9 10.9 959 663 B K H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.859 109.1 57.1 -71.1 -34.7 -25.9 -4.4 14.0 960 664 B A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.964 110.8 44.9 -56.5 -48.0 -22.6 -5.1 12.2 961 665 B I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.927 112.3 50.2 -63.4 -46.3 -22.5 -1.3 11.4 962 666 B I H X S+ 0 0 45 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.933 109.4 52.3 -57.8 -47.3 -23.5 -0.3 15.0 963 667 B A H X S+ 0 0 13 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.931 110.8 47.1 -55.6 -47.4 -20.8 -2.6 16.4 964 668 B V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.4 0.947 113.0 49.2 -60.5 -46.9 -18.1 -1.0 14.2 965 669 B F H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.754 101.5 61.9 -67.6 -25.4 -19.3 2.5 15.1 966 670 B D H X S+ 0 0 80 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.2 0.916 108.6 45.1 -61.5 -40.6 -19.2 1.7 18.8 967 671 B V H X S+ 0 0 10 -4,-1.5 4,-2.7 -3,-0.4 -2,-0.2 0.938 110.3 52.7 -70.1 -43.6 -15.5 1.1 18.3 968 672 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.916 109.7 49.7 -56.2 -43.6 -15.1 4.3 16.2 969 673 B R H X S+ 0 0 102 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.896 110.5 50.4 -60.4 -39.2 -16.8 6.3 19.0 970 674 B A H X S+ 0 0 27 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.902 109.8 50.0 -68.5 -38.7 -14.4 4.7 21.5 971 675 B I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.935 111.2 49.1 -63.2 -47.7 -11.3 5.5 19.4 972 676 B N H X S+ 0 0 18 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.884 110.0 51.0 -55.7 -43.5 -12.5 9.1 19.1 973 677 B A H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.928 111.4 48.8 -61.1 -45.8 -13.1 9.3 22.9 974 678 B Y H X S+ 0 0 9 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.930 111.1 49.6 -56.9 -48.2 -9.5 8.0 23.4 975 679 B V H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.927 112.4 47.5 -59.9 -44.4 -8.1 10.5 21.0 976 680 B T H < S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.903 113.2 49.1 -62.7 -42.2 -9.9 13.4 22.7 977 681 B D H < S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.888 115.6 42.4 -63.6 -40.9 -8.8 12.1 26.1 978 682 B M H < S- 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.667 87.8-154.3 -84.3 -17.6 -5.1 11.8 25.0 979 683 B A >X - 0 0 3 -4,-1.8 3,-1.8 -5,-0.2 4,-1.1 0.918 13.2-173.7 42.8 61.7 -5.0 15.2 23.1 980 684 B P H 3> S+ 0 0 6 0, 0.0 4,-1.1 0, 0.0 7,-0.1 0.735 74.1 71.7 -62.3 -21.5 -2.2 14.0 20.8 981 685 B W H 34 S+ 0 0 105 1,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.814 103.1 42.4 -60.9 -32.8 -2.0 17.4 19.2 982 686 B K H X> S+ 0 0 102 -3,-1.8 4,-2.1 1,-0.2 3,-0.7 0.773 103.0 66.3 -80.1 -32.3 -0.4 18.6 22.5 983 687 B L H 3X S+ 0 0 2 -4,-1.1 4,-2.5 1,-0.2 8,-0.3 0.762 84.4 76.8 -62.7 -26.0 1.8 15.5 22.9 984 688 B V H 3< S+ 0 0 47 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.933 112.4 21.2 -46.5 -55.2 3.7 16.6 19.7 985 689 B K H <4 S+ 0 0 96 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.876 132.7 44.9 -78.1 -38.1 5.6 19.3 21.8 986 690 B T H < S- 0 0 85 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.847 129.2 -2.6 -85.4 -40.8 5.0 17.7 25.2 987 691 B D X + 0 0 15 -4,-2.5 4,-2.0 -5,-0.1 3,-0.2 -0.532 54.6 176.1-158.0 78.9 5.7 13.9 24.9 988 692 B P H > S+ 0 0 83 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.831 83.6 58.3 -60.1 -33.2 6.6 12.5 21.4 989 693 B E H > S+ 0 0 83 1,-0.2 4,-1.2 2,-0.2 -61,-0.4 0.942 108.4 45.2 -61.1 -47.8 7.3 9.0 22.8 990 694 B R H > S+ 0 0 8 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.887 107.0 59.8 -62.2 -40.3 3.7 8.8 24.1 991 695 B L H X S+ 0 0 12 -4,-2.0 4,-3.2 -8,-0.3 5,-0.3 0.870 98.5 59.3 -54.2 -39.1 2.3 10.3 20.9 992 696 B R H X S+ 0 0 93 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.937 108.0 44.3 -57.8 -48.6 3.8 7.3 19.0 993 697 B T H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 5,-0.2 0.949 115.1 47.4 -59.5 -50.6 1.8 4.9 21.1 994 698 B V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.908 114.6 46.7 -62.2 -42.9 -1.4 7.0 20.8 995 699 B L H X S+ 0 0 9 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.911 109.9 52.8 -64.4 -46.0 -1.0 7.4 17.0 996 700 B Y H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.932 110.8 46.5 -57.0 -47.5 -0.3 3.7 16.4 997 701 B I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.916 113.9 48.7 -62.9 -43.0 -3.4 2.5 18.3 998 702 B T H X S+ 0 0 4 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.948 111.4 48.3 -62.2 -51.0 -5.6 5.1 16.5 999 703 B L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.919 113.7 47.1 -56.4 -45.3 -4.3 4.2 13.0 1000 704 B E H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.869 111.5 51.5 -69.5 -34.1 -4.7 0.5 13.6 1001 705 B G H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.925 110.6 48.5 -64.9 -45.5 -8.2 1.1 15.0 1002 706 B V H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.888 111.7 50.7 -61.0 -39.6 -9.2 3.1 12.0 1003 707 B R H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.945 113.1 43.5 -62.7 -50.7 -7.8 0.4 9.7 1004 708 B V H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.920 116.2 46.5 -66.2 -45.6 -9.6 -2.5 11.3 1005 709 B T H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.886 113.9 49.7 -61.2 -39.8 -12.9 -0.6 11.6 1006 710 B T H X S+ 0 0 2 -4,-2.2 4,-0.9 -5,-0.3 -2,-0.2 0.886 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