==== 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 4EG8 . 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 . 1065 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 742 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 8.8 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 . 1 0.1 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 . 39 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 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 3 3 2 2 5 5 4 2 0 0 0 2 0 2 2 0 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 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 . 7 4 7 0 2 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 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 0 185 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.5 -4.8 9.7 41.3 2 239 A E + 0 0 128 3,-0.0 2,-0.2 2,-0.0 3,-0.0 -0.836 360.0 135.3 -97.2 110.2 -2.3 11.2 43.8 3 240 A K - 0 0 44 -2,-0.7 2,-0.5 39,-0.1 39,-0.3 -0.755 63.6 -73.1-136.2-179.0 -1.5 8.9 46.7 4 241 A V - 0 0 13 265,-2.8 2,-0.4 -2,-0.2 39,-0.2 -0.752 52.5-118.1 -79.6 128.4 1.6 7.8 48.6 5 242 A F E -a 43 0A 24 37,-3.1 39,-2.6 -2,-0.5 2,-0.6 -0.600 34.2-156.9 -67.4 122.3 3.5 5.4 46.4 6 243 A F E +a 44 0A 0 -2,-0.4 268,-3.0 266,-0.3 269,-1.5 -0.924 18.6 170.4-115.3 114.1 3.5 2.2 48.4 7 244 A V E -ab 45 275A 0 37,-1.7 39,-1.9 -2,-0.6 2,-0.3 -0.978 8.9-173.6-128.3 137.8 6.1 -0.4 47.7 8 245 A T E -ab 46 276A 0 267,-2.2 269,-2.8 -2,-0.4 39,-0.2 -0.858 18.3-149.3-131.6 158.1 6.8 -3.5 49.8 9 246 A S E - 0 0 0 37,-1.6 269,-0.1 -2,-0.3 17,-0.1 -0.747 44.7 -87.7-110.5 167.5 9.1 -6.5 50.2 10 247 A P E - 0 0 5 0, 0.0 38,-0.6 0, 0.0 2,-0.5 -0.410 41.0-117.2 -64.9 154.6 8.1 -9.9 51.5 11 248 A I E -a 48 0A 0 36,-0.2 38,-0.3 38,-0.1 2,-0.3 -0.888 39.3-130.6 -93.4 129.0 8.2 -10.2 55.3 12 249 A Y E -a 49 0A 6 36,-2.6 38,-2.3 -2,-0.5 66,-0.1 -0.615 10.2-110.0 -95.3 137.6 10.8 -12.9 56.0 13 250 A Y E -a 50 0A 12 -2,-0.3 3,-0.3 36,-0.2 38,-0.2 -0.309 21.2-146.2 -55.2 141.1 10.6 -16.0 58.2 14 251 A V + 0 0 0 36,-1.0 60,-0.2 1,-0.2 -1,-0.1 -0.048 67.1 112.0-104.7 30.4 12.8 -15.7 61.3 15 252 A N S S+ 0 0 54 1,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.614 87.8 12.2 -69.8 -16.2 13.7 -19.4 61.5 16 253 A A S S- 0 0 48 -3,-0.3 3,-0.1 3,-0.0 -1,-0.1 -0.974 95.9 -71.4-159.3 162.6 17.3 -18.5 60.6 17 254 A A - 0 0 50 -2,-0.3 -2,-0.1 1,-0.1 58,-0.1 -0.120 60.7 -91.8 -58.1 153.7 19.7 -15.6 60.1 18 255 A P + 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.341 51.6 171.3 -67.1 153.7 19.3 -13.2 57.2 19 256 A H >> - 0 0 95 -3,-0.1 4,-2.2 308,-0.1 3,-0.7 -0.770 49.0 -61.1-148.1-170.3 21.1 -13.9 53.9 20 257 A I H 3> S+ 0 0 7 306,-0.5 4,-3.1 1,-0.2 5,-0.2 0.853 122.0 58.5 -53.7 -44.6 21.4 -12.8 50.3 21 258 A G H 3> S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 111.0 41.9 -56.8 -40.4 17.8 -13.6 49.3 22 259 A H H <> S+ 0 0 21 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.927 115.1 50.9 -70.8 -47.5 16.3 -11.3 51.9 23 260 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.887 111.9 48.2 -54.7 -41.0 18.9 -8.7 51.2 24 261 A Y H X S+ 0 0 2 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.939 111.7 47.7 -69.9 -48.5 18.1 -8.9 47.4 25 262 A S H X S+ 0 0 7 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.928 114.6 46.0 -58.2 -46.8 14.4 -8.6 47.8 26 263 A T H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.889 108.5 57.4 -68.7 -34.1 14.7 -5.7 50.2 27 264 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.927 106.3 49.1 -57.8 -44.2 17.2 -4.0 47.8 28 265 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.931 112.6 47.7 -64.3 -44.8 14.6 -4.2 45.0 29 266 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.955 113.0 49.3 -56.1 -49.2 12.0 -2.7 47.2 30 267 A D H X S+ 0 0 1 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.894 110.3 49.7 -58.9 -44.1 14.5 0.0 48.3 31 268 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.916 109.6 49.6 -66.2 -45.3 15.5 0.9 44.8 32 269 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.950 113.5 47.6 -58.4 -47.8 12.0 1.3 43.5 33 270 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.924 110.6 52.0 -58.8 -45.1 11.2 3.5 46.5 34 271 A R H X S+ 0 0 42 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.912 107.6 51.9 -58.6 -44.6 14.3 5.6 45.9 35 272 A Y H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.925 110.3 48.1 -60.3 -45.1 13.5 6.2 42.3 36 273 A H H <>S+ 0 0 5 -4,-2.1 5,-2.4 1,-0.2 -1,-0.2 0.819 109.1 53.8 -68.0 -30.5 10.0 7.4 43.1 37 274 A R H ><5S+ 0 0 48 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.2 0.876 105.8 52.6 -67.9 -35.0 11.4 9.7 45.8 38 275 A V H 3<5S+ 0 0 20 -4,-2.0 462,-3.2 1,-0.3 -2,-0.2 0.780 103.0 58.2 -73.9 -24.4 13.8 11.2 43.2 39 276 A K T 3<5S- 0 0 38 -4,-1.4 462,-0.6 -5,-0.2 -1,-0.3 0.533 124.3-111.6 -72.5 -8.2 10.8 11.9 41.0 40 277 A G T < 5 + 0 0 49 -3,-1.3 -3,-0.2 1,-0.3 2,-0.2 0.693 69.9 142.4 85.7 21.4 9.6 13.9 44.0 41 278 A E < - 0 0 66 -5,-2.4 2,-0.4 1,-0.1 -1,-0.3 -0.527 60.1-103.2 -88.3 156.6 6.7 11.5 44.9 42 279 A R - 0 0 99 -39,-0.3 -37,-3.1 -2,-0.2 2,-0.4 -0.699 48.2-169.5 -74.3 131.5 5.5 10.6 48.4 43 280 A V E -a 5 0A 18 -2,-0.4 2,-0.4 -39,-0.2 -37,-0.2 -0.959 24.3-174.0-130.6 142.7 6.9 7.1 49.1 44 281 A F E -a 6 0A 9 -39,-2.6 -37,-1.7 -2,-0.4 2,-0.4 -0.896 13.2-171.9-132.6 106.2 6.3 4.5 51.8 45 282 A A E -a 7 0A 0 -2,-0.4 46,-1.4 43,-0.2 45,-1.2 -0.826 7.3-164.9-101.8 139.1 8.6 1.5 51.5 46 283 A L E +ac 8 91A 0 -39,-1.9 -37,-1.6 -2,-0.4 2,-0.3 -0.948 18.3 152.8-130.3 139.0 7.9 -1.5 53.8 47 284 A T E + c 0 92A 2 44,-2.0 46,-2.7 -2,-0.4 2,-0.3 -0.897 16.0 125.7-145.9 177.5 9.9 -4.6 54.9 48 285 A G E -ac 11 93A 0 -38,-0.6 -36,-2.6 44,-0.3 2,-0.4 -0.998 45.4 -55.9 161.4-162.2 9.9 -6.9 57.9 49 286 A T E -ac 12 94A 0 44,-2.2 46,-1.6 -38,-0.3 2,-0.7 -0.914 22.7-142.4-125.9 144.1 9.7 -10.3 59.5 50 287 A D E +a 13 0A 0 -38,-2.3 -36,-1.0 -2,-0.4 6,-0.1 -0.897 31.1 170.0-104.3 105.0 7.1 -13.1 59.5 51 288 A E + 0 0 0 -2,-0.7 -1,-0.1 -38,-0.2 2,-0.1 0.580 40.2 73.5-109.9 -13.3 7.3 -14.4 63.1 52 289 A H + 0 0 16 184,-0.1 4,-0.4 4,-0.1 171,-0.2 -0.354 61.3 72.3 -90.6 176.2 4.4 -16.8 63.8 53 290 A G S > S- 0 0 1 169,-2.8 4,-2.7 166,-0.2 5,-0.2 -0.156 83.3 -76.5 110.2 165.8 4.0 -20.4 62.6 54 291 A Q H > S+ 0 0 19 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.890 122.6 57.4 -64.4 -43.9 5.1 -24.0 63.0 55 292 A K H > S+ 0 0 34 73,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.962 115.7 34.6 -51.8 -58.7 8.2 -23.4 61.0 56 293 A V H > S+ 0 0 0 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.877 116.3 53.9 -69.1 -41.7 9.5 -20.6 63.3 57 294 A A H X S+ 0 0 6 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.893 112.5 45.3 -60.9 -39.0 8.1 -22.1 66.5 58 295 A E H X S+ 0 0 59 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.808 108.3 56.0 -77.0 -29.4 10.0 -25.3 65.7 59 296 A A H X S+ 0 0 19 -4,-1.8 4,-1.1 -5,-0.3 -2,-0.2 0.903 109.9 47.6 -62.5 -39.9 13.1 -23.4 64.8 60 297 A A H <>S+ 0 0 1 -4,-2.3 5,-1.5 1,-0.2 -2,-0.2 0.850 109.1 52.8 -66.7 -38.7 13.0 -21.8 68.3 61 298 A K H ><5S+ 0 0 152 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.849 105.1 54.8 -68.4 -34.0 12.4 -25.2 69.9 62 299 A Q H 3<5S+ 0 0 162 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 108.3 48.7 -71.9 -28.4 15.5 -26.7 68.2 63 300 A K T 3<5S- 0 0 157 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.263 114.2-125.6 -87.7 9.3 17.6 -23.8 69.6 64 301 A Q T < 5S+ 0 0 179 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.912 70.3 106.4 45.4 61.3 16.0 -24.6 73.1 65 302 A V S - 0 0 46 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.235 32.6-124.2 -68.0 150.6 11.2 -19.3 73.9 67 304 A P H > S+ 0 0 35 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.838 111.9 54.1 -61.3 -35.0 9.5 -18.1 70.7 68 305 A Y H > S+ 0 0 167 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.962 114.4 40.6 -61.9 -51.9 9.2 -14.6 72.1 69 306 A D H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.858 117.6 48.7 -64.5 -37.8 13.0 -14.5 72.8 70 307 A F H X S+ 0 0 23 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.973 112.8 44.6 -68.6 -55.8 13.9 -16.2 69.6 71 308 A T H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.911 113.7 51.6 -56.8 -45.2 11.8 -14.1 67.2 72 309 A T H X S+ 0 0 76 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.900 112.4 46.7 -58.3 -41.5 13.0 -10.9 68.9 73 310 A A H X S+ 0 0 55 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.954 116.2 42.3 -65.6 -50.3 16.6 -11.9 68.5 74 311 A V H X S+ 0 0 7 -4,-2.8 4,-2.2 2,-0.2 3,-0.3 0.902 112.2 53.8 -68.5 -42.2 16.4 -13.0 64.9 75 312 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.904 106.1 55.3 -54.4 -42.3 14.3 -9.9 64.0 76 313 A G H X S+ 0 0 37 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.862 105.2 51.7 -57.1 -38.6 17.1 -7.9 65.6 77 314 A E H X S+ 0 0 95 -4,-1.4 4,-2.2 -3,-0.3 -2,-0.2 0.891 109.2 50.1 -66.2 -42.1 19.5 -9.6 63.2 78 315 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.914 111.4 48.1 -59.9 -45.7 17.4 -8.7 60.2 79 316 A K H X S+ 0 0 83 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.923 112.6 48.4 -62.2 -45.6 17.1 -5.0 61.4 80 317 A K H X S+ 0 0 159 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.894 112.0 50.0 -60.8 -42.7 20.9 -4.8 61.9 81 318 A C H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.948 111.2 47.8 -61.5 -49.7 21.6 -6.3 58.5 82 319 A F H <>S+ 0 0 12 -4,-2.5 5,-1.3 1,-0.2 -1,-0.2 0.815 111.9 49.8 -67.5 -30.6 19.2 -3.9 56.8 83 320 A E H ><5S+ 0 0 146 -4,-2.1 3,-1.7 2,-0.2 -1,-0.2 0.931 110.8 50.2 -67.3 -44.5 20.8 -0.9 58.6 84 321 A Q H 3<5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 104.2 58.5 -64.5 -32.6 24.2 -2.1 57.6 85 322 A M T 3<5S- 0 0 1 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.536 108.3-129.4 -74.7 -6.4 23.1 -2.5 53.9 86 323 A D T < 5 + 0 0 35 -3,-1.7 -3,-0.2 -4,-0.2 2,-0.1 0.940 46.4 163.5 60.9 51.5 22.2 1.2 54.0 87 324 A Y < - 0 0 24 -5,-1.3 -1,-0.1 2,-0.0 -60,-0.1 -0.392 41.0-134.8 -87.0 174.4 18.6 1.0 52.7 88 325 A S + 0 0 45 -2,-0.1 -43,-0.2 0, 0.0 2,-0.2 -0.292 42.9 156.5-126.2 46.4 16.0 3.7 52.9 89 326 A I - 0 0 38 1,-0.1 -43,-0.2 -7,-0.1 3,-0.1 -0.530 35.7-148.1 -73.3 138.5 13.0 1.6 54.1 90 327 A D S S+ 0 0 57 -45,-1.2 2,-0.3 1,-0.2 -44,-0.2 0.810 73.5 13.1 -80.2 -31.8 10.4 3.6 55.9 91 328 A Y E -c 46 0A 18 -46,-1.4 -44,-2.0 2,-0.0 2,-0.6 -0.987 53.4-151.2-154.8 141.6 9.1 0.9 58.2 92 329 A F E -c 47 0A 28 164,-0.4 2,-0.3 -2,-0.3 -44,-0.3 -0.945 25.9-160.1-111.0 111.6 10.1 -2.5 59.5 93 330 A I E -c 48 0A 0 -46,-2.7 -44,-2.2 -2,-0.6 2,-0.4 -0.755 7.9-162.5-101.3 142.4 7.0 -4.5 60.5 94 331 A R E > -c 49 0A 51 -2,-0.3 3,-2.0 -46,-0.2 6,-0.2 -0.989 18.9-141.4-121.5 130.7 6.9 -7.5 62.8 95 332 A T T 3 S+ 0 0 0 -46,-1.6 -45,-0.1 -2,-0.4 -1,-0.1 0.688 101.4 66.3 -68.6 -15.3 3.9 -9.8 62.7 96 333 A T T 3 S+ 0 0 37 -47,-0.2 -1,-0.3 4,-0.1 -46,-0.1 0.649 75.4 118.7 -74.4 -15.3 4.2 -10.2 66.5 97 334 A N S <> S- 0 0 33 -3,-2.0 4,-1.9 1,-0.1 3,-0.2 -0.270 70.1-134.1 -51.7 133.1 3.3 -6.5 66.7 98 335 A E H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.798 103.1 55.1 -64.6 -31.2 -0.0 -6.1 68.6 99 336 A Q H > S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.863 107.2 49.5 -73.1 -37.0 -1.5 -3.6 66.1 100 337 A H H > S+ 0 0 0 -6,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.917 106.2 57.2 -61.6 -43.9 -0.9 -6.1 63.2 101 338 A K H X S+ 0 0 52 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.901 106.8 49.4 -52.6 -44.3 -2.6 -8.7 65.3 102 339 A A H X S+ 0 0 37 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.872 108.9 51.4 -63.6 -41.5 -5.7 -6.4 65.5 103 340 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.898 107.6 53.2 -65.8 -40.3 -5.7 -5.8 61.7 104 341 A V H X S+ 0 0 1 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.949 108.2 49.8 -58.8 -48.2 -5.6 -9.6 61.1 105 342 A K H X S+ 0 0 69 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.869 111.1 50.9 -60.2 -36.4 -8.7 -10.1 63.4 106 343 A E H X S+ 0 0 94 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.949 111.4 46.1 -61.6 -52.0 -10.4 -7.3 61.5 107 344 A L H X S+ 0 0 6 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.928 112.1 51.7 -61.4 -44.2 -9.7 -8.9 58.1 108 345 A W H X S+ 0 0 8 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.921 109.8 48.4 -55.9 -48.6 -10.8 -12.3 59.3 109 346 A T H X S+ 0 0 57 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.894 110.1 52.6 -62.5 -40.4 -14.1 -11.1 60.6 110 347 A K H X S+ 0 0 107 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.951 109.7 48.3 -59.7 -48.5 -14.7 -9.3 57.3 111 348 A L H <>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 6,-0.3 0.863 114.5 47.2 -60.0 -36.2 -14.0 -12.5 55.4 112 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122.2 40.8 -88.0 -19.0 20.8 -5.4 40.1 346 583 A R H < S+ 0 0 40 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.802 106.4 58.2 -95.5 -39.2 22.8 -5.4 36.9 347 584 A E H < S+ 0 0 46 -4,-2.7 2,-0.4 -5,-0.3 -3,-0.1 0.880 112.0 31.6 -67.6 -37.5 24.0 -9.0 36.6 348 585 A S < - 0 0 5 -4,-0.7 2,-0.2 -5,-0.3 77,-0.1 -0.931 65.8-144.5-127.1 146.6 20.5 -10.6 36.6 349 586 A G > - 0 0 2 -2,-0.4 3,-2.4 76,-0.1 -40,-0.2 -0.666 39.3-102.6 -98.1 161.6 17.1 -9.7 35.4 350 587 A F T 3 S+ 0 0 14 1,-0.3 -1,-0.1 -2,-0.2 73,-0.0 0.776 121.3 57.9 -57.7 -28.7 13.9 -10.7 37.3 351 588 A S T 3 S+ 0 0 52 -43,-0.1 -1,-0.3 -42,-0.1 2,-0.2 0.669 102.6 71.0 -72.3 -15.4 13.3 -13.5 34.8 352 589 A D S < S- 0 0 77 -3,-2.4 2,-0.8 -43,-0.1 -43,-0.5 -0.596 78.2-127.3-106.7 158.7 16.7 -15.1 35.5 353 590 A D - 0 0 78 -2,-0.2 -42,-0.2 -44,-0.2 -3,-0.1 -0.913 46.4-142.7 -97.1 101.3 18.4 -17.0 38.3 354 591 A G - 0 0 7 -2,-0.8 -42,-1.2 -44,-0.1 2,-0.3 0.040 8.1-140.0 -64.2 170.0 21.5 -14.8 38.7 355 592 A D E -o 312 0F 35 -44,-0.2 2,-0.4 -41,-0.1 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3,-0.2 6,-0.2 0.973 120.8 34.7 -55.5 -55.4 33.3 -3.1 39.0 366 603 A N H <>S+ 0 0 24 -4,-2.8 5,-2.8 3,-0.2 -2,-0.2 0.922 124.9 41.7 -62.1 -50.2 36.4 -2.4 36.8 367 604 A G H <5S+ 0 0 29 -4,-2.9 5,-0.4 -5,-0.4 -3,-0.2 0.950 130.5 15.2 -69.8 -53.7 34.6 -2.4 33.4 368 605 A E T X>S+ 0 0 28 -4,-2.3 5,-2.6 -5,-0.2 4,-0.5 0.920 131.5 36.7 -94.2 -52.0 31.4 -0.4 34.1 369 606 A L T 4XS+ 0 0 1 -5,-1.7 5,-3.4 3,-0.2 -3,-0.2 0.944 130.5 26.9 -70.4 -46.3 31.8 1.5 37.4 370 607 A A T 4XS+ 0 0 10 -5,-2.7 5,-2.2 -6,-0.3 -3,-0.2 0.980 130.9 32.0 -80.5 -59.8 35.5 2.3 37.1 371 608 A D T 4< S+ 0 0 5 -4,-2.7 3,-2.0 -7,-0.3 -1,-0.2 -0.623 71.0 174.5 -99.7 72.3 38.4 21.8 33.2 387 624 A V T 3 S+ 0 0 87 -2,-1.2 -1,-0.2 -3,-0.3 -4,-0.1 0.730 75.5 43.2 -57.8 -29.2 41.0 24.4 33.9 388 625 A N T 3 S- 0 0 123 2,-0.1 -1,-0.3 -3,-0.1 127,-0.1 0.411 101.0-127.6 -96.9 0.4 38.6 26.8 35.7 389 626 A G S < S+ 0 0 26 -3,-2.0 126,-2.5 1,-0.2 2,-0.3 0.919 72.8 107.2 49.7 47.9 36.8 24.2 37.8 390 627 A E B S-Q 514 0H 74 124,-0.3 124,-0.2 0, 0.0 -1,-0.2 -0.892 81.9 -93.9-141.8 171.5 33.4 25.4 36.5 391 628 A W - 0 0 0 122,-2.1 121,-3.4 -2,-0.3 122,-0.1 -0.844 50.6-138.9 -87.5 113.7 30.6 24.5 34.1 392 629 A P - 0 0 9 0, 0.0 121,-0.1 0, 0.0 -6,-0.0 -0.260 13.4-108.7 -74.2 164.2 31.5 26.2 30.9 393 630 A S - 0 0 66 118,-0.1 67,-0.1 119,-0.1 70,-0.1 -0.817 40.2-122.7 -88.8 120.5 29.1 28.0 28.7 394 631 A P - 0 0 34 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.378 19.9-152.8 -67.6 142.8 28.6 26.0 25.5 395 632 A A - 0 0 25 61,-0.4 62,-0.0 1,-0.3 61,-0.0 -0.141 55.6 -33.3 -88.0-165.0 29.3 27.5 22.0 396 633 A A - 0 0 77 1,-0.1 2,-0.5 -2,-0.1 -1,-0.3 -0.204 66.4-125.0 -56.6 140.0 27.6 26.3 18.8 397 634 A Y - 0 0 75 -3,-0.1 -1,-0.1 4,-0.0 2,-0.1 -0.781 16.8-147.0 -91.4 128.9 26.7 22.6 18.7 398 635 A T > - 0 0 15 -2,-0.5 4,-2.0 325,-0.1 5,-0.1 -0.304 33.5-101.1 -76.8 172.5 27.9 20.4 15.8 399 636 A E H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 558,-0.1 0.897 126.2 51.1 -65.2 -41.8 25.8 17.5 14.5 400 637 A E H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.899 108.5 54.4 -59.6 -41.3 27.9 15.0 16.4 401 638 A D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.929 109.6 46.7 -53.5 -48.4 27.3 17.2 19.5 402 639 A E H X S+ 0 0 68 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.802 102.7 61.2 -72.6 -29.7 23.6 17.0 19.0 403 640 A S H X S+ 0 0 10 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.923 110.1 43.7 -60.8 -40.6 23.4 13.2 18.5 404 641 A L H X S+ 0 0 6 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.939 111.6 52.7 -68.8 -46.8 24.8 12.9 22.0 405 642 A I H X S+ 0 0 11 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.894 106.0 55.4 -54.0 -41.4 22.5 15.5 23.4 406 643 A Q H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.947 106.8 49.5 -59.3 -46.8 19.6 13.7 21.9 407 644 A L H X S+ 0 0 34 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.893 112.0 48.5 -58.8 -41.4 20.6 10.5 23.7 408 645 A I H < S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.881 112.8 47.4 -68.3 -37.8 20.9 12.4 27.0 409 646 A K H < S+ 0 0 117 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.824 114.3 47.8 -71.0 -32.2 17.5 14.1 26.5 410 647 A D H X S+ 0 0 21 -4,-2.4 4,-1.6 -5,-0.2 3,-0.3 0.779 93.9 80.4 -76.8 -27.1 15.9 10.8 25.7 411 648 A L H X S+ 0 0 7 -4,-1.6 4,-3.0 1,-0.2 5,-0.3 0.847 85.8 52.7 -53.5 -45.8 17.4 8.9 28.6 412 649 A P H > S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.922 109.2 48.7 -64.1 -41.6 15.0 9.9 31.4 413 650 A G H > S+ 0 0 31 -4,-0.4 4,-1.6 -3,-0.3 -2,-0.2 0.874 115.8 45.5 -59.3 -38.8 11.9 8.9 29.6 414 651 A T H X S+ 0 0 16 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.935 114.6 45.6 -72.6 -48.7 13.4 5.6 28.7 415 652 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.866 110.0 57.4 -58.6 -41.3 14.8 4.9 32.2 416 653 A D H X S+ 0 0 27 -4,-2.9 4,-1.4 -5,-0.3 -1,-0.2 0.921 106.1 48.6 -57.1 -46.1 11.4 6.0 33.7 417 654 A H H X S+ 0 0 23 -4,-1.6 4,-0.9 1,-0.2 3,-0.4 0.942 112.3 47.8 -62.7 -45.1 9.6 3.4 31.7 418 655 A Y H ><>S+ 0 0 24 -4,-1.9 5,-3.0 1,-0.2 3,-0.9 0.923 110.6 51.3 -62.9 -42.8 12.0 0.6 32.8 419 656 A Y H 3<5S+ 0 0 3 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.752 109.7 52.9 -63.3 -25.3 11.8 1.6 36.5 420 657 A L H 3<5S+ 0 0 39 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.635 108.4 46.1 -88.2 -14.2 8.0 1.5 36.3 421 658 A I T <<5S- 0 0 5 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.1 0.938 119.6-119.4 -58.9 -50.2 7.7 -2.0 34.8 422 659 A P T 5 + 0 0 2 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.569 69.3 142.6 -93.7 143.7 9.7 -2.5 37.0 423 660 A D >< + 0 0 26 -5,-3.0 4,-1.4 1,-0.1 -3,-0.1 -0.756 16.8 176.6-139.8 85.5 12.8 -3.8 35.3 424 661 A I H > S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.875 77.4 60.5 -61.3 -39.3 15.8 -2.3 37.1 425 662 A Q H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.930 106.4 45.6 -54.1 -50.5 18.3 -4.3 35.0 426 663 A K H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.803 109.3 56.7 -66.9 -29.2 17.1 -2.6 31.8 427 664 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.936 110.1 44.2 -63.7 -47.4 17.1 0.8 33.5 428 665 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.939 112.3 51.2 -63.4 -47.5 20.8 0.4 34.4 429 666 A I H X S+ 0 0 48 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.942 109.1 53.2 -57.1 -44.8 21.7 -0.9 30.9 430 667 A A H X S+ 0 0 13 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.902 109.9 46.8 -55.7 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22.9 441 678 A Y H X S+ 0 0 8 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.939 109.4 48.2 -59.8 -47.1 32.4 11.2 22.3 442 679 A V H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 112.3 48.7 -65.9 -43.8 35.1 12.3 24.7 443 680 A T H < S+ 0 0 83 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.909 113.5 49.0 -54.0 -44.7 37.7 10.0 23.0 444 681 A D H < S+ 0 0 44 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.928 116.3 40.1 -63.3 -49.0 36.5 11.4 19.7 445 682 A M H < S- 0 0 1 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.660 89.8-153.2 -79.0 -17.9 36.8 15.1 20.7 446 683 A A >X - 0 0 2 -4,-1.9 3,-1.7 -5,-0.2 4,-1.0 0.912 12.1-171.3 45.3 61.7 40.0 14.6 22.7 447 684 A P H 3> S+ 0 0 5 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.705 77.6 68.0 -62.0 -24.0 39.3 17.6 25.0 448 685 A W H 34 S+ 0 0 92 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.881 103.7 45.6 -57.2 -39.1 42.8 17.3 26.5 449 686 A K H X> S+ 0 0 95 -3,-1.7 4,-1.8 1,-0.2 3,-0.8 0.823 106.2 60.6 -72.2 -31.4 44.1 18.5 23.1 450 687 A L H 3X S+ 0 0 6 -4,-1.0 4,-2.1 1,-0.2 8,-0.3 0.751 83.1 78.0 -72.3 -26.4 41.5 21.2 22.9 451 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T 0 0 179 -168,-0.0 -1,-0.2 -167,-0.0 -171,-0.1 -0.453 360.0 360.0 -60.2 360.0 29.1 -22.0 8.5 1067 !* 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 1068 815 A M 0 0 22 0, 0.0 -1056,-0.2 0, 0.0 -1019,-0.0 0.000 360.0 360.0 360.0 360.0 7.5 -15.7 53.9