==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 30-MAR-12 4EG4 . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI BRUCEI; . AUTHOR C.Y.KOH,J.E.KIM,S.SHIBATA,E.FAN,C.L.M.J.VERLINDE,W.G.J.HOL . 1034 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 726 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 3 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 . 43 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 3.6 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 0 4 2 3 4 2 5 4 0 2 0 0 2 1 2 0 1 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 0 4 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 . 4 3 7 0 1 0 0 0 1 0 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 4 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 0 181 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.1 -5.3 9.9 42.5 2 239 A E + 0 0 125 39,-0.0 2,-0.3 3,-0.0 39,-0.0 -0.772 360.0 149.1 -81.0 136.9 -2.3 11.5 44.2 3 240 A K - 0 0 36 -2,-0.4 2,-0.5 39,-0.1 39,-0.5 -0.882 54.8 -74.5-161.0 168.3 -1.4 9.0 46.9 4 241 A V - 0 0 13 265,-2.8 2,-0.7 -2,-0.3 39,-0.2 -0.772 49.8-121.5 -83.2 128.8 1.6 7.7 48.8 5 242 A F E -a 43 0A 28 37,-3.2 39,-2.5 -2,-0.5 2,-0.6 -0.637 33.0-158.9 -74.9 115.2 3.5 5.4 46.6 6 243 A F E +a 44 0A 0 -2,-0.7 268,-2.9 266,-0.3 269,-1.5 -0.877 17.4 170.5-109.1 116.2 3.5 2.2 48.6 7 244 A V E -ab 45 275A 0 37,-2.1 39,-2.3 -2,-0.6 2,-0.3 -0.946 9.3-168.9-126.1 145.7 6.1 -0.4 47.9 8 245 A T E -ab 46 276A 0 267,-1.8 269,-2.4 -2,-0.3 39,-0.2 -0.932 18.1-152.3-134.6 152.0 6.9 -3.6 50.0 9 246 A S E - 0 0 1 37,-1.7 2,-0.2 -2,-0.3 269,-0.1 -0.568 45.7 -93.0 -96.4 177.9 9.3 -6.4 50.4 10 247 A P E - 0 0 0 0, 0.0 38,-0.6 0, 0.0 2,-0.4 -0.493 38.8-114.7 -75.5 165.2 8.2 -9.7 51.7 11 248 A I E -a 48 0A 0 36,-0.2 38,-0.3 -2,-0.2 2,-0.3 -0.915 38.3-130.2 -98.6 133.5 8.4 -10.2 55.5 12 249 A Y E -a 49 0A 0 36,-2.1 38,-2.7 -2,-0.4 2,-0.1 -0.623 12.6-107.6 -98.3 139.3 11.0 -12.9 56.1 13 250 A Y E > -a 50 0A 2 1028,-2.0 3,-0.5 -2,-0.3 38,-0.2 -0.418 23.3-146.1 -55.5 132.8 10.7 -16.0 58.3 14 251 A V T 3 + 0 0 0 36,-1.1 -1,-0.1 1,-0.2 60,-0.1 0.163 69.0 112.0 -89.1 14.3 12.9 -15.4 61.4 15 252 A N T 3 S+ 0 0 52 59,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.771 84.8 16.3 -58.8 -31.1 13.9 -19.2 61.5 16 253 A A S < S- 0 0 45 -3,-0.5 3,-0.1 1,-0.0 -1,-0.0 -0.951 96.3 -78.3-142.1 162.8 17.5 -18.4 60.6 17 254 A A - 0 0 51 -2,-0.3 2,-0.2 1,-0.1 58,-0.1 -0.151 60.8 -87.9 -58.9 152.9 19.9 -15.4 60.4 18 255 A P + 0 0 16 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.437 52.7 173.0 -68.0 136.2 19.5 -13.0 57.5 19 256 A H >> - 0 0 50 1,-0.3 4,-1.5 -2,-0.2 3,-1.2 -0.622 45.4 -61.1-124.6-178.8 21.5 -13.8 54.3 20 257 A I T 34 S+ 0 0 29 299,-0.5 -1,-0.3 1,-0.2 2,-0.2 -0.273 119.0 50.7 -52.1 155.4 21.8 -12.5 50.8 21 258 A G T 3> S+ 0 0 4 1,-0.2 4,-1.4 -3,-0.1 -1,-0.2 -0.074 105.5 55.8 99.5 -41.2 18.4 -12.9 49.1 22 259 A H H <> S+ 0 0 5 -3,-1.2 4,-3.2 -2,-0.2 5,-0.3 0.857 111.3 47.9 -71.7 -49.8 16.6 -11.2 51.9 23 260 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -3,-0.1 0.888 112.7 47.8 -53.6 -43.0 19.0 -8.4 51.2 24 261 A Y H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.968 112.5 48.0 -63.9 -51.6 18.3 -8.8 47.5 25 262 A S H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 3,-0.2 0.933 116.3 42.9 -56.8 -50.4 14.5 -8.7 48.0 26 263 A T H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.817 108.4 59.8 -68.7 -30.0 14.6 -5.7 50.3 27 264 A L H X S+ 0 0 2 -4,-2.3 4,-3.0 -5,-0.3 -1,-0.2 0.898 104.0 51.0 -62.6 -40.8 17.2 -3.9 48.0 28 265 A I H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.951 111.3 47.4 -60.4 -50.0 14.7 -4.0 45.1 29 266 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.934 112.7 50.3 -54.2 -47.1 12.0 -2.6 47.4 30 267 A D H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.915 110.9 47.7 -58.0 -50.6 14.5 0.1 48.5 31 268 A V H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.935 110.9 50.2 -56.7 -51.2 15.5 1.0 45.0 32 269 A I H X S+ 0 0 3 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.938 114.7 45.8 -56.3 -47.4 11.9 1.3 43.7 33 270 A G H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.962 111.1 51.7 -55.9 -53.3 11.1 3.5 46.7 34 271 A R H X S+ 0 0 43 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.866 107.5 53.2 -55.9 -42.0 14.2 5.6 46.3 35 272 A Y H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.920 107.0 50.3 -61.4 -45.4 13.4 6.3 42.6 36 273 A H H <>S+ 0 0 8 -4,-1.7 5,-2.7 1,-0.2 -1,-0.2 0.784 110.4 51.0 -67.7 -24.8 9.9 7.5 43.3 37 274 A R H ><5S+ 0 0 51 -4,-1.6 3,-1.1 3,-0.2 -1,-0.2 0.836 104.9 55.4 -75.7 -36.1 11.4 9.9 45.9 38 275 A V H 3<5S+ 0 0 19 -4,-2.0 455,-3.7 1,-0.3 -2,-0.2 0.847 105.2 54.0 -62.5 -33.7 13.9 11.1 43.4 39 276 A K T 3<5S- 0 0 37 -4,-1.9 455,-0.7 453,-0.2 -1,-0.3 0.544 123.1-113.7 -72.3 -10.3 10.7 11.9 41.3 40 277 A G T < 5 + 0 0 49 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.673 69.3 139.7 86.0 19.0 9.5 13.9 44.3 41 278 A E < - 0 0 66 -5,-2.7 2,-0.4 1,-0.1 -1,-0.2 -0.397 61.8-100.7 -83.7 164.7 6.6 11.6 45.1 42 279 A R - 0 0 100 -39,-0.5 -37,-3.2 -2,-0.1 2,-0.3 -0.765 48.8-169.9 -80.8 135.9 5.5 10.6 48.6 43 280 A V E -a 5 0A 19 -2,-0.4 2,-0.3 -39,-0.2 -37,-0.2 -0.906 25.0-170.8-126.2 154.1 6.8 7.1 49.3 44 281 A F E -a 6 0A 12 -39,-2.5 -37,-2.1 -2,-0.3 2,-0.5 -0.792 11.3-171.4-142.2 103.6 6.3 4.4 51.9 45 282 A A E -a 7 0A 0 -2,-0.3 46,-1.1 43,-0.2 45,-0.9 -0.837 10.0-166.1 -92.9 128.0 8.7 1.5 51.7 46 283 A L E +ac 8 91A 0 -39,-2.3 -37,-1.7 -2,-0.5 2,-0.3 -0.896 17.0 154.3-116.3 142.7 7.8 -1.4 54.0 47 284 A T E + c 0 92A 1 44,-1.8 46,-2.9 -2,-0.4 2,-0.3 -0.932 13.4 125.1-149.8 176.0 9.9 -4.4 55.1 48 285 A G E -ac 11 93A 0 -38,-0.6 -36,-2.1 44,-0.3 2,-0.3 -0.999 45.8 -57.5 163.6-164.6 9.9 -6.8 58.1 49 286 A T E -ac 12 94A 0 44,-2.3 46,-1.3 -38,-0.3 2,-0.7 -0.899 22.9-141.7-124.7 144.0 9.8 -10.2 59.7 50 287 A D E +a 13 0A 0 -38,-2.7 -36,-1.1 -2,-0.3 190,-0.1 -0.895 32.8 168.5-104.3 101.4 7.3 -13.1 59.6 51 288 A E + 0 0 0 -2,-0.7 -1,-0.1 -38,-0.2 20,-0.1 0.646 39.3 75.3-104.2 -18.9 7.5 -14.3 63.2 52 289 A H + 0 0 3 184,-0.1 4,-0.4 4,-0.1 171,-0.2 -0.337 62.2 62.8 -88.0 171.6 4.7 -16.7 63.9 53 290 A G S > S- 0 0 1 169,-2.4 4,-1.8 166,-0.2 5,-0.1 -0.371 83.6 -69.0 114.7 176.9 4.1 -20.3 62.9 54 291 A Q H > S+ 0 0 20 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.964 123.1 53.1 -71.9 -57.8 5.3 -23.9 63.1 55 292 A K H > S+ 0 0 27 73,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.899 115.3 42.0 -40.8 -53.4 8.5 -23.4 61.0 56 293 A V H > S+ 0 0 0 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.867 114.3 49.7 -71.3 -38.0 9.6 -20.5 63.3 57 294 A A H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.885 109.7 51.6 -65.3 -40.0 8.6 -22.2 66.6 58 295 A E H X S+ 0 0 61 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.709 107.4 51.7 -76.9 -20.7 10.4 -25.4 65.7 59 296 A A H < S+ 0 0 13 -4,-1.1 4,-0.3 -5,-0.3 -1,-0.2 0.799 111.2 49.0 -76.7 -33.4 13.6 -23.5 64.9 60 297 A A H ><>S+ 0 0 1 -4,-1.3 5,-2.3 2,-0.2 3,-0.6 0.866 113.4 46.6 -71.6 -37.0 13.3 -21.8 68.3 61 298 A K H ><5S+ 0 0 150 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.913 106.2 57.9 -70.0 -43.1 12.7 -25.3 69.9 62 299 A Q T 3<5S+ 0 0 164 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.548 109.4 46.5 -64.8 -9.9 15.7 -26.8 68.0 63 300 A K T < 5S- 0 0 151 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.343 114.7-116.0-108.8 2.1 18.0 -24.2 69.6 64 301 A Q T < 5S+ 0 0 91 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.951 73.7 125.9 59.2 52.8 16.6 -24.6 73.1 65 302 A V < - 0 0 60 -5,-2.3 -1,-0.2 -6,-0.0 -2,-0.2 -0.985 65.6-103.7-139.2 148.9 15.2 -21.1 73.2 66 303 A S > - 0 0 48 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.453 30.0-122.7 -72.0 142.9 11.7 -19.6 73.9 67 304 A P H > S+ 0 0 39 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.840 110.8 54.8 -53.8 -37.4 9.8 -18.4 70.9 68 305 A Y H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.942 114.4 38.3 -60.5 -50.9 9.5 -14.9 72.3 69 306 A D H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.781 115.9 53.5 -72.6 -30.0 13.2 -14.5 72.9 70 307 A F H X S+ 0 0 24 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.967 110.7 43.2 -71.0 -54.9 14.2 -16.2 69.6 71 308 A T H X S+ 0 0 2 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.932 114.3 51.5 -57.1 -48.7 12.1 -14.2 67.3 72 309 A T H X S+ 0 0 76 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.911 112.2 48.0 -55.2 -46.2 13.1 -10.9 69.0 73 310 A A H X S+ 0 0 50 -4,-1.8 4,-1.3 2,-0.2 3,-0.3 0.972 116.0 40.8 -56.3 -60.0 16.8 -12.0 68.7 74 311 A V H X S+ 0 0 5 -4,-2.8 4,-1.9 1,-0.3 3,-0.4 0.885 112.1 56.3 -62.5 -41.3 16.6 -12.9 65.0 75 312 A A H X S+ 0 0 0 -4,-3.5 4,-2.2 -5,-0.3 -1,-0.3 0.903 105.2 53.7 -54.4 -41.3 14.4 -9.9 64.2 76 313 A G H X S+ 0 0 38 -4,-1.9 4,-2.3 -3,-0.3 -1,-0.2 0.828 105.8 52.3 -63.0 -33.5 17.1 -7.7 65.7 77 314 A E H X S+ 0 0 85 -4,-1.3 4,-2.4 -3,-0.4 -1,-0.2 0.857 107.8 51.6 -70.2 -38.3 19.7 -9.3 63.4 78 315 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.887 111.3 47.7 -64.0 -41.2 17.5 -8.4 60.4 79 316 A K H X S+ 0 0 75 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.927 113.3 47.4 -63.8 -45.3 17.2 -4.8 61.6 80 317 A K H X S+ 0 0 149 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.889 112.4 50.8 -62.0 -39.9 21.0 -4.7 62.1 81 318 A X H X S+ 0 0 36 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.959 112.3 45.0 -63.5 -50.1 21.6 -6.2 58.7 82 319 A F H <>S+ 0 0 12 -4,-2.4 5,-1.4 2,-0.2 4,-0.2 0.791 112.6 51.1 -68.9 -29.7 19.3 -3.8 56.9 83 320 A E H ><5S+ 0 0 140 -4,-2.1 3,-1.7 2,-0.2 -1,-0.2 0.928 110.7 49.6 -65.4 -45.8 20.8 -0.7 58.8 84 321 A Q H 3<5S+ 0 0 91 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.829 104.9 58.3 -65.2 -30.8 24.2 -1.9 57.8 85 322 A M T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.542 107.4-130.4 -75.2 -8.4 23.0 -2.2 54.2 86 323 A D T < 5 + 0 0 35 -3,-1.7 -3,-0.2 -4,-0.2 2,-0.1 0.922 43.9 166.1 60.5 49.0 22.1 1.5 54.2 87 324 A Y < - 0 0 24 -5,-1.4 -1,-0.1 2,-0.0 2,-0.1 -0.459 41.2-132.7 -82.5 167.2 18.5 1.2 52.9 88 325 A S + 0 0 46 -2,-0.1 2,-0.4 0, 0.0 -43,-0.2 -0.481 45.0 160.0-115.2 56.3 16.0 4.0 53.1 89 326 A I - 0 0 41 1,-0.1 -43,-0.1 -7,-0.1 3,-0.1 -0.682 35.2-150.0 -85.5 131.3 13.1 1.9 54.4 90 327 A D S S+ 0 0 54 -45,-0.9 2,-0.3 -2,-0.4 -44,-0.2 0.731 74.3 7.9 -73.4 -26.6 10.3 3.8 56.1 91 328 A Y E -c 46 0A 18 -46,-1.1 -44,-1.8 2,-0.0 2,-0.6 -0.971 52.3-147.0-159.2 145.6 9.3 1.0 58.5 92 329 A F E -c 47 0A 32 164,-0.4 2,-0.3 -2,-0.3 -44,-0.3 -0.942 28.9-162.4-109.7 108.8 10.3 -2.4 59.8 93 330 A I E -c 48 0A 0 -46,-2.9 -44,-2.3 -2,-0.6 2,-0.4 -0.676 8.5-163.9 -97.1 145.2 7.1 -4.4 60.7 94 331 A R E > -c 49 0A 47 -2,-0.3 3,-0.9 -46,-0.2 6,-0.2 -0.986 20.8-140.6-123.2 139.9 7.0 -7.5 62.9 95 332 A T T 3 S+ 0 0 0 -46,-1.3 -45,-0.1 -2,-0.4 -1,-0.1 0.583 102.1 64.6 -78.3 -7.2 4.0 -9.8 62.9 96 333 A T T 3 S+ 0 0 28 -47,-0.1 -1,-0.2 4,-0.1 5,-0.1 0.698 75.5 117.4 -79.6 -21.9 4.3 -10.2 66.7 97 334 A N S <> S- 0 0 36 -3,-0.9 4,-2.1 1,-0.1 3,-0.5 -0.208 70.7-133.7 -46.8 129.1 3.5 -6.5 67.0 98 335 A E H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.752 104.5 56.0 -63.2 -27.1 0.2 -6.1 68.9 99 336 A Q H > S+ 0 0 68 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.851 108.1 49.3 -73.0 -34.0 -1.2 -3.6 66.4 100 337 A H H > S+ 0 0 0 -3,-0.5 4,-2.3 -6,-0.2 3,-0.5 0.951 107.2 53.1 -64.8 -50.3 -0.7 -6.2 63.6 101 338 A K H X S+ 0 0 46 -4,-2.1 4,-2.1 1,-0.3 5,-0.2 0.886 106.9 55.0 -50.0 -42.9 -2.4 -8.9 65.6 102 339 A A H X S+ 0 0 39 -4,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.873 107.5 48.4 -57.5 -42.8 -5.3 -6.4 65.9 103 340 A V H X S+ 0 0 0 -4,-1.4 4,-3.0 -3,-0.5 -1,-0.2 0.850 108.1 54.6 -69.8 -36.8 -5.5 -6.0 62.1 104 341 A V H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.955 111.3 44.2 -62.7 -48.6 -5.5 -9.8 61.5 105 342 A K H X S+ 0 0 90 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.933 113.4 52.4 -60.1 -45.8 -8.4 -10.3 63.8 106 343 A E H X S+ 0 0 73 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.942 113.3 43.7 -52.9 -50.1 -10.1 -7.3 62.2 107 344 A L H X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 3,-0.4 0.935 108.7 56.3 -65.5 -48.5 -9.6 -8.8 58.7 108 345 A W H X S+ 0 0 6 -4,-3.2 4,-2.9 1,-0.3 -1,-0.2 0.861 106.9 51.2 -49.0 -41.7 -10.6 -12.4 59.7 109 346 A T H X S+ 0 0 50 -4,-2.0 4,-3.3 2,-0.2 -1,-0.3 0.845 108.0 50.7 -70.0 -36.3 -13.9 -11.0 60.9 110 347 A K H X S+ 0 0 61 -4,-1.4 4,-2.2 -3,-0.4 5,-0.2 0.992 114.1 45.1 -60.5 -56.8 -14.6 -9.2 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40.2-121.5 -86.1 122.5 28.7 28.1 28.6 387 631 A P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 63,-0.1 -0.362 18.5-152.0 -69.2 141.6 28.3 26.1 25.4 388 632 A A - 0 0 32 61,-0.4 62,-0.0 1,-0.3 2,-0.0 0.119 55.8 -36.6 -80.3-155.7 28.9 27.5 21.9 389 633 A A - 0 0 78 1,-0.1 2,-0.4 -2,-0.0 -1,-0.3 -0.311 65.3-120.7 -70.1 156.6 27.1 26.2 18.8 390 634 A Y - 0 0 80 -3,-0.1 2,-0.2 4,-0.0 309,-0.1 -0.848 13.5-142.7-105.5 130.1 26.5 22.4 18.6 391 635 A T > - 0 0 13 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.508 36.9-102.5 -80.2 158.9 27.7 20.1 15.8 392 636 A E H > S+ 0 0 30 1,-0.3 4,-1.5 2,-0.2 538,-0.2 0.718 127.7 53.3 -58.0 -21.1 25.4 17.4 14.5 393 637 A E H > S+ 0 0 26 2,-0.2 4,-1.5 537,-0.1 -1,-0.3 0.922 106.7 51.2 -72.0 -47.5 27.6 15.0 16.6 394 638 A D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.934 113.4 45.5 -51.2 -48.3 27.1 17.2 19.7 395 639 A E H X S+ 0 0 68 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.878 102.6 64.2 -67.1 -36.9 23.3 17.1 19.0 396 640 A S H X S+ 0 0 8 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.858 111.7 37.6 -52.3 -38.4 23.4 13.3 18.4 397 641 A L H X S+ 0 0 4 -4,-1.5 4,-2.7 -3,-0.5 -1,-0.2 0.860 111.9 56.2 -83.3 -42.7 24.5 12.8 22.1 398 642 A I H X S+ 0 0 12 -4,-2.1 4,-3.5 1,-0.2 5,-0.2 0.932 106.2 54.3 -51.1 -45.3 22.3 15.6 23.5 399 643 A Q H X S+ 0 0 17 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.875 107.9 48.2 -60.5 -39.9 19.5 13.8 21.9 400 644 A L H X S+ 0 0 37 -4,-0.9 4,-1.1 -5,-0.2 -1,-0.2 0.908 113.2 47.7 -63.1 -43.6 20.5 10.6 23.8 401 645 A I H < S+ 0 0 2 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.902 111.6 50.2 -68.2 -41.5 20.8 12.5 27.1 402 646 A K H < S+ 0 0 122 -4,-3.5 4,-0.5 1,-0.2 -1,-0.2 0.906 113.0 46.9 -59.0 -42.0 17.4 14.1 26.6 403 647 A D H X S+ 0 0 20 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.691 93.5 81.3 -75.0 -17.5 15.8 10.8 25.8 404 648 A L H X S+ 0 0 5 -4,-1.1 4,-3.0 -3,-0.4 5,-0.3 0.840 86.0 51.8 -67.1 -39.6 17.3 8.9 28.8 405 649 A P H > S+ 0 0 12 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.917 109.4 51.3 -63.6 -41.4 15.0 9.9 31.6 406 650 A G H > S+ 0 0 30 -4,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.926 117.2 37.9 -57.9 -49.0 11.9 9.0 29.7 407 651 A T H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.908 117.3 49.7 -72.7 -43.3 13.2 5.5 28.9 408 652 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.894 110.4 53.3 -60.4 -40.4 14.9 4.9 32.3 409 653 A D H X S+ 0 0 28 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.963 107.2 49.6 -57.2 -54.1 11.6 6.0 33.9 410 654 A H H X S+ 0 0 24 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.891 111.3 50.1 -55.5 -41.0 9.5 3.5 32.0 411 655 A Y H ><>S+ 0 0 24 -4,-2.0 5,-2.5 1,-0.2 3,-1.6 0.960 109.3 50.0 -63.2 -52.7 12.0 0.7 33.0 412 656 A Y H 3<5S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.1 54.7 -48.1 -38.9 11.8 1.7 36.6 413 657 A L H 3<5S+ 0 0 35 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.620 108.6 46.3 -78.3 -10.5 8.0 1.6 36.4 414 658 A I T <<5S- 0 0 10 -3,-1.6 -1,-0.2 -4,-0.7 495,-0.2 0.946 117.4-122.0 -60.0 -53.7 7.8 -2.0 35.0 415 659 A P T 5 + 0 0 7 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.464 69.5 138.8 -95.9 129.7 9.8 -2.5 37.3 416 660 A D >< + 0 0 15 -5,-2.5 4,-2.1 1,-0.1 -3,-0.1 -0.795 20.3 177.9-127.1 86.0 12.9 -3.9 35.5 417 661 A I H > S+ 0 0 11 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.822 78.2 59.5 -57.2 -35.9 15.8 -2.2 37.4 418 662 A Q H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.958 106.1 45.6 -60.1 -52.2 18.3 -4.1 35.3 419 663 A K H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.938 111.2 55.3 -57.5 -44.4 17.0 -2.8 32.0 420 664 A A H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.956 107.5 47.9 -50.5 -57.0 17.0 0.7 33.6 421 665 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 3,-0.3 0.914 112.0 50.2 -51.9 -47.3 20.7 0.5 34.6 422 666 A I H X S+ 0 0 55 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.980 105.3 56.5 -55.4 -58.7 21.6 -0.7 31.0 423 667 A A H X S+ 0 0 15 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.785 112.5 42.7 -40.3 -41.8 19.7 2.2 29.4 424 668 A V H X S+ 0 0 2 -4,-1.6 4,-1.9 -3,-0.3 3,-0.4 0.959 112.6 50.2 -72.7 -54.2 21.8 4.6 31.5 425 669 A F H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.3 -2,-0.2 0.779 104.1 59.9 -61.7 -27.6 25.2 2.9 31.0 426 670 A D H X S+ 0 0 65 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.3 0.963 108.5 46.0 -54.7 -51.4 24.5 2.8 27.2 427 671 A V H X S+ 0 0 10 -4,-1.1 4,-1.8 -3,-0.4 -2,-0.2 0.820 110.5 52.5 -65.2 -33.8 24.3 6.6 27.5 428 672 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.947 107.0 52.2 -64.1 -46.6 27.5 6.7 29.6 429 673 A R H X S+ 0 0 126 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.823 106.9 55.0 -61.1 -30.3 29.4 4.7 27.0 430 674 A A H X S+ 0 0 25 -4,-1.6 4,-3.4 2,-0.2 -1,-0.2 0.954 105.2 51.4 -62.9 -49.5 28.2 7.2 24.4 431 675 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.883 109.7 49.7 -59.4 -41.2 29.7 10.1 26.4 432 676 A N H X S+ 0 0 22 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.958 111.4 49.2 -59.4 -50.8 33.1 8.3 26.7 433 677 A A H X S+ 0 0 47 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.928 111.4 50.3 -51.0 -51.5 33.0 7.7 22.9 434 678 A Y H X S+ 0 0 6 -4,-3.4 4,-2.4 2,-0.2 3,-0.3 0.955 111.5 47.0 -51.1 -53.6 32.1 11.4 22.4 435 679 A V H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.901 107.7 56.4 -63.9 -41.9 35.1 12.5 24.6 436 680 A T H < S+ 0 0 83 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.899 111.7 44.5 -50.6 -45.2 37.5 10.1 22.9 437 681 A D H < S+ 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5,-2.6 -6,-0.2 6,-0.2 0.978 131.1 37.0 -76.1 -64.8 18.0 -13.0 9.1 880 608 B D T 5S+ 0 0 14 -5,-0.5 4,-0.8 -4,-0.3 -3,-0.2 0.968 135.0 22.2 -82.5 -55.1 17.0 -10.1 14.2 882 610 B L H >< S+ 0 0 5 -4,-2.5 3,-0.7 -7,-0.2 -1,-0.2 -0.699 70.5 163.6 -94.0 82.2 -1.5 -12.7 13.1 896 624 B V T 3 + 0 0 94 -2,-1.2 -1,-0.2 1,-0.2 -4,-0.1 0.816 67.1 55.5 -78.9 -31.1 -4.6 -14.7 12.3 897 625 B N T 3 S- 0 0 120 -3,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.576 102.2-128.6 -75.2 -11.2 -6.8 -11.8 11.0 898 626 B G S < S+ 0 0 27 -3,-0.7 126,-1.3 1,-0.2 2,-0.3 0.954 72.6 88.8 59.6 51.6 -4.1 -10.8 8.5 899 627 B E B S-B 1023 0L 58 124,-0.3 -1,-0.2 121,-0.0 124,-0.2 -0.982 86.9 -84.8-162.7 169.8 -4.2 -7.2 9.6 900 628 B W - 0 0 0 122,-2.4 121,-2.7 -2,-0.3 122,-0.4 -0.796 52.5-141.3 -81.1 114.1 -3.0 -4.5 11.9 901 629 B P - 0 0 11 0, 0.0 121,-0.1 0, 0.0 -1,-0.0 -0.327 13.5-110.2 -80.3 163.1 -5.0 -4.8 15.1 902 630 B S - 0 0 66 118,-0.1 67,-0.1 117,-0.1 2,-0.1 -0.805 43.8-122.2 -85.6 128.0 -6.4 -2.0 17.2 903 631 B P - 0 0 34 0, 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0.894 111.5 56.6 -70.1 -41.0 9.3 -0.3 23.9 914 642 B I H X S+ 0 0 5 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.890 103.2 55.5 -57.2 -39.2 7.0 2.4 22.5 915 643 B Q H X S+ 0 0 42 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.878 106.8 49.2 -63.4 -39.8 9.4 5.0 23.8 916 644 B L H X S+ 0 0 40 -4,-1.1 4,-0.9 -3,-0.2 -1,-0.2 0.914 113.0 47.5 -64.3 -42.5 12.3 3.5 22.0 917 645 B I H < S+ 0 0 1 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.899 114.0 46.7 -67.6 -42.2 10.3 3.4 18.8 918 646 B K H < S+ 0 0 115 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.898 115.5 46.2 -63.9 -40.0 9.2 7.0 19.2 919 647 B D H X S+ 0 0 13 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.572 95.1 79.8 -81.6 -9.2 12.8 8.1 20.0 920 648 B L H X S+ 0 0 3 -4,-0.9 4,-3.3 -3,-0.4 5,-0.3 0.929 85.2 52.9 -70.4 -50.8 14.4 6.3 17.1 921 649 B P H > S+ 0 0 10 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.890 109.2 52.5 -55.6 -37.7 13.8 8.6 14.2 922 650 B G H > S+ 0 0 1 -396,-0.5 4,-1.5 -4,-0.4 -393,-0.3 0.937 115.4 38.5 -60.6 -47.2 15.2 11.5 16.1 923 651 B T H X S+ 0 0 12 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.895 115.7 52.6 -75.2 -40.5 18.5 9.7 16.9 924 652 B A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 5,-0.3 0.972 107.3 53.8 -52.6 -55.6 18.7 8.0 13.5 925 653 B D H X S+ 0 0 2 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.847 108.5 48.6 -50.2 -44.6 18.3 11.4 11.8 926 654 B H H X S+ 0 0 4 -4,-1.5 4,-1.6 2,-0.2 3,-0.4 0.975 110.4 50.1 -61.8 -53.0 21.2 12.9 13.7 927 655 B Y H <>S+ 0 0 26 -4,-2.2 5,-3.2 1,-0.3 3,-0.4 0.887 112.1 48.7 -51.8 -44.6 23.5 10.0 13.0 928 656 B Y H <5S+ 0 0 4 -4,-2.6 -1,-0.3 3,-0.3 -2,-0.2 0.838 110.5 51.9 -63.0 -35.9 22.6 10.3 9.3 929 657 B L H <5S+ 0 0 25 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.741 110.4 46.7 -76.4 -21.1 23.2 14.1 9.4 930 658 B I T <5S- 0 0 6 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.897 119.6-122.2 -51.2 -51.1 26.7 13.8 11.0 931 659 B P T 5 + 0 0 10 0, 0.0 -3,-0.3 0, 0.0 2,-0.2 0.599 67.5 141.8 -92.5 141.5 26.9 11.7 8.8 932 660 B D >< + 0 0 35 -5,-3.2 4,-2.1 -6,-0.1 3,-0.2 -0.686 18.2 178.5-138.1 84.6 27.7 8.3 10.5 933 661 B I H > S+ 0 0 14 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.729 79.4 57.7 -67.3 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702 B T H X S+ 0 0 6 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.954 115.5 46.2 -49.7 -55.3 5.6 -5.1 17.1 975 703 B L H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.945 113.6 47.2 -53.6 -54.4 4.2 -4.2 13.7 976 704 B E H X S+ 0 0 0 -4,-3.3 4,-1.8 -5,-0.3 -1,-0.2 0.831 114.1 49.2 -62.7 -32.3 4.5 -0.5 14.2 977 705 B G H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.904 108.2 51.9 -71.0 -44.3 8.0 -1.0 15.4 978 706 B V H X S+ 0 0 0 -4,-3.2 4,-1.8 -5,-0.2 -2,-0.2 0.836 110.5 51.6 -59.1 -31.5 9.0 -3.1 12.5 979 707 B R H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.941 111.1 43.9 -72.2 -47.4 7.7 -0.4 10.2 980 708 B V H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.949 115.0 47.9 -67.5 -48.6 9.6 2.5 11.8 981 709 B T H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.929 114.4 47.9 -54.5 -46.8 12.9 0.5 12.0 982 710 B T H X S+ 0 0 2 -4,-1.8 4,-1.0 -5,-0.3 -2,-0.2 0.895 108.4 55.4 -60.2 -40.2 12.4 -0.6 8.3 983 711 B L H >< S+ 0 0 1 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.966 112.2 41.3 -58.9 -51.3 11.6 3.0 7.3 984 712 B L H 3< S+ 0 0 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101.1 19.0 -95.7 -13.0 6.6 4.5 3.1 1008 736 B K S < S+ 0 0 111 -3,-0.7 -1,-0.2 -4,-0.3 -438,-0.2 -0.982 79.3 86.9-153.9 156.8 8.3 7.9 2.9 1009 737 B G S > S- 0 0 6 -440,-3.3 3,-0.9 -2,-0.3 -438,-0.3 -0.124 71.5-107.5 123.2 134.5 7.9 11.4 4.4 1010 738 B I G > S+ 0 0 48 -440,-1.6 3,-1.2 1,-0.2 4,-0.3 0.794 116.3 66.9 -58.6 -30.4 9.2 12.9 7.7 1011 739 B E G > S+ 0 0 94 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.859 93.4 55.3 -59.4 -40.3 5.6 12.7 8.9 1012 740 B N G < S+ 0 0 10 -3,-0.9 -1,-0.2 1,-0.3 5,-0.2 0.392 83.7 83.2 -81.6 2.6 5.4 8.9 8.9 1013 741 B F G < S+ 0 0 19 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.783 77.5 97.2 -62.6 -29.0 8.5 8.8 11.2 1014 742 B E S X S- 0 0 136 -3,-1.5 3,-1.0 -4,-0.3 2,-0.3 -0.213 91.0 -95.2 -63.4 150.9 5.8 9.3 13.8 1015 743 B F T 3 S+ 0 0 47 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.489 103.1 14.0 -73.6 127.1 4.4 6.4 15.8 1016 744 B G T 3 + 0 0 24 -2,-0.3 -1,-0.2 -40,-0.1 -2,-0.1 0.725 68.9 145.7 81.9 24.2 1.1 4.9 14.5 1017 745 B A < + 0 0 26 -3,-1.0 -2,-0.1 -5,-0.2 -4,-0.1 0.858 64.7 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2,-0.1 -0.996 11.5-144.8-134.6 144.2 24.1 -19.5 4.6 1038 766 B S 0 0 117 -2,-0.3 -167,-0.0 1,-0.1 -163,-0.0 -0.178 360.0 360.0-102.6-175.6 26.4 -21.9 6.4 1039 767 B T 0 0 170 -2,-0.1 -1,-0.1 -168,-0.0 -171,-0.0 0.226 360.0 360.0-161.3 360.0 30.1 -22.7 6.7 1040 !* 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 1041 817 A M 0 0 0 0, 0.0 -1028,-2.0 0, 0.0 -991,-0.2 0.000 360.0 360.0 360.0 360.0 7.6 -15.7 54.1