==== 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 30-MAR-12 4EG1 . 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 . 1064 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 743 69.8 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 . 88 8.3 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 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 3.8 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 1 3 1 3 3 3 6 3 0 2 1 0 2 0 2 0 2 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 0 4 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 PARALLEL BRIDGES PER LADDER . 6 5 7 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 8 1 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 1 239 A E 0 0 186 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.8 -45.3 9.6 44.2 2 240 A K - 0 0 51 39,-0.1 2,-0.6 267,-0.0 39,-0.3 -0.901 360.0 -76.6-157.9 164.6 -44.0 7.3 46.9 3 241 A V - 0 0 11 265,-2.6 39,-0.2 -2,-0.3 2,-0.2 -0.708 51.9-121.2 -76.6 120.5 -40.8 6.1 48.8 4 242 A F E -a 42 0A 20 37,-3.2 39,-2.1 -2,-0.6 2,-0.5 -0.512 34.0-160.7 -61.9 130.0 -39.0 3.8 46.5 5 243 A F E +a 43 0A 0 -2,-0.2 269,-1.7 37,-0.2 268,-1.3 -0.974 15.2 173.3-128.0 121.1 -38.8 0.5 48.4 6 244 A V E -ab 44 274A 0 37,-2.3 39,-1.3 -2,-0.5 2,-0.3 -0.988 9.7-161.9-135.2 140.4 -36.3 -2.2 47.6 7 245 A T E -ab 45 275A 0 267,-1.2 269,-1.9 -2,-0.4 39,-0.2 -0.856 17.6-158.2-121.8 150.3 -35.5 -5.4 49.5 8 246 A S - 0 0 0 37,-2.6 2,-0.2 -2,-0.3 269,-0.1 -0.858 48.8 -95.3-106.0 159.5 -32.9 -8.1 49.8 9 247 A P - 0 0 4 0, 0.0 38,-0.5 0, 0.0 2,-0.3 -0.514 36.8-110.1 -73.1 145.1 -34.3 -11.3 51.2 10 248 A I - 0 0 0 36,-0.2 38,-0.3 -2,-0.2 2,-0.3 -0.620 42.6-131.3 -70.5 130.8 -33.9 -11.9 54.9 11 249 A Y E -c 48 0A 6 36,-2.4 38,-2.7 -2,-0.3 -1,-0.1 -0.646 12.6-107.6 -96.4 139.7 -31.3 -14.6 55.3 12 250 A Y E -c 49 0A 18 1054,-1.7 3,-0.4 -2,-0.3 38,-0.2 -0.390 24.2-145.5 -58.6 141.8 -31.5 -17.8 57.4 13 251 A V + 0 0 0 36,-1.2 60,-0.2 1,-0.2 -1,-0.1 -0.083 66.4 111.2-104.8 32.0 -29.1 -17.5 60.4 14 252 A N S S+ 0 0 50 2,-0.1 2,-0.3 59,-0.1 -1,-0.2 0.686 87.2 10.3 -79.8 -20.9 -28.1 -21.2 60.6 15 253 A A S S- 0 0 51 -3,-0.4 -1,-0.1 1,-0.1 43,-0.0 -0.929 96.7 -68.6-149.2 173.8 -24.5 -20.4 59.5 16 254 A A - 0 0 44 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.126 58.6 -93.6 -64.2 160.9 -22.2 -17.4 58.9 17 255 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.433 50.7 162.4 -76.3 154.7 -22.8 -15.0 56.1 18 256 A H >> - 0 0 83 -2,-0.1 4,-1.6 308,-0.1 3,-1.4 -0.874 54.3 -53.7-160.0-178.2 -21.0 -15.5 52.7 19 257 A I H 3> S+ 0 0 8 306,-0.5 4,-3.3 1,-0.3 5,-0.4 0.722 120.9 63.7 -44.5 -40.3 -21.1 -14.4 49.0 20 258 A G H 3> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.940 111.8 35.3 -49.6 -52.2 -24.8 -15.4 48.5 21 259 A H H <> S+ 0 0 24 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.865 117.7 53.2 -74.3 -35.3 -26.1 -12.9 51.0 22 260 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.950 111.3 45.5 -65.8 -50.7 -23.5 -10.3 50.1 23 261 A Y H X S+ 0 0 3 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.922 113.0 50.9 -55.2 -48.2 -24.3 -10.4 46.4 24 262 A S H X S+ 0 0 7 -4,-2.0 4,-1.8 -5,-0.4 -2,-0.2 0.916 113.2 44.7 -59.9 -43.7 -28.0 -10.3 47.1 25 263 A T H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.775 107.3 59.3 -71.9 -28.0 -27.7 -7.3 49.3 26 264 A L H X S+ 0 0 2 -4,-1.9 4,-3.4 2,-0.2 -2,-0.2 0.948 105.4 48.7 -67.2 -47.8 -25.3 -5.5 46.9 27 265 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.953 113.9 47.0 -50.8 -54.2 -27.9 -5.6 44.1 28 266 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.937 113.1 49.3 -54.2 -49.0 -30.4 -4.2 46.6 29 267 A D H X S+ 0 0 1 -4,-3.2 4,-3.1 2,-0.2 -2,-0.2 0.908 112.1 48.1 -58.7 -44.9 -28.0 -1.6 47.7 30 268 A V H X S+ 0 0 0 -4,-3.4 4,-3.0 2,-0.2 5,-0.2 0.954 111.0 48.9 -62.3 -51.9 -27.2 -0.6 44.1 31 269 A I H X S+ 0 0 2 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.928 114.9 46.7 -53.7 -45.8 -30.9 -0.3 43.1 32 270 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.961 112.2 50.2 -59.1 -54.0 -31.5 1.8 46.2 33 271 A R H X S+ 0 0 45 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.906 108.1 51.8 -50.1 -54.4 -28.4 4.0 45.6 34 272 A Y H X S+ 0 0 2 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.937 108.8 50.4 -51.9 -51.6 -29.4 4.7 42.0 35 273 A H H X>S+ 0 0 4 -4,-2.0 5,-0.9 1,-0.2 4,-0.7 0.839 111.8 48.7 -60.2 -34.1 -32.9 5.8 42.9 36 274 A R H ><5S+ 0 0 47 -4,-2.0 3,-0.8 2,-0.2 463,-0.3 0.897 105.5 56.5 -64.3 -43.3 -31.4 8.1 45.5 37 275 A V H 3<5S+ 0 0 20 -4,-2.8 462,-3.5 1,-0.3 -2,-0.2 0.935 104.9 54.4 -58.5 -41.8 -28.9 9.5 42.9 38 276 A K H 3<5S- 0 0 35 -4,-2.4 462,-1.1 -5,-0.2 -1,-0.3 0.784 125.7-110.1 -51.3 -33.7 -32.1 10.3 41.0 39 277 A G T <<5 + 0 0 47 -3,-0.8 2,-0.4 -4,-0.7 -3,-0.2 0.867 68.5 140.0 98.8 53.1 -33.3 12.2 44.1 40 278 A E < - 0 0 68 -5,-0.9 2,-0.3 -36,-0.0 -1,-0.3 -0.929 62.7 -99.4-126.2 146.9 -36.1 10.0 45.3 41 279 A R - 0 0 103 -2,-0.4 -37,-3.2 -39,-0.3 2,-0.3 -0.555 52.5-171.9 -60.1 126.5 -37.1 9.0 48.7 42 280 A V E -a 4 0A 20 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.904 22.6-169.2-126.9 149.6 -35.6 5.5 49.1 43 281 A F E -a 5 0A 11 -39,-2.1 -37,-2.3 -2,-0.3 2,-0.3 -0.861 9.4-170.9-140.9 107.4 -35.9 2.7 51.6 44 282 A A E -a 6 0A 0 -2,-0.3 46,-1.5 43,-0.2 45,-0.7 -0.767 6.0-167.9 -98.4 145.4 -33.5 -0.3 51.4 45 283 A L E +ad 7 90A 0 -39,-1.3 -37,-2.6 -2,-0.3 2,-0.3 -0.972 16.5 160.7-144.3 116.5 -34.1 -3.4 53.6 46 284 A T E + d 0 91A 4 44,-1.6 46,-2.0 -2,-0.4 2,-0.3 -0.782 21.0 141.3-119.8 169.4 -31.9 -6.3 54.3 47 285 A G E - d 0 92A 0 -38,-0.5 -36,-2.4 44,-0.3 2,-0.4 -0.992 41.3 -80.8 175.6-173.6 -32.3 -8.7 57.3 48 286 A T E -cd 11 93A 0 44,-2.9 46,-1.6 -38,-0.3 2,-0.7 -0.936 17.2-145.8-123.8 138.6 -32.3 -12.1 59.0 49 287 A D E +c 12 0A 0 -38,-2.7 -36,-1.2 -2,-0.4 44,-0.1 -0.886 30.7 165.2-100.0 104.9 -34.8 -15.0 59.0 50 288 A E + 0 0 0 -2,-0.7 -1,-0.1 -38,-0.2 20,-0.1 0.615 39.5 80.6-108.1 -16.2 -34.3 -16.5 62.5 51 289 A H + 0 0 10 184,-0.1 4,-0.3 4,-0.1 171,-0.2 -0.359 60.1 58.0 -88.3 169.4 -37.3 -18.8 63.2 52 290 A G S > S- 0 0 0 169,-3.1 4,-2.6 166,-0.2 3,-0.2 -0.192 87.5 -65.2 106.2 172.7 -38.1 -22.3 62.1 53 291 A Q H > S+ 0 0 15 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.888 121.5 58.0 -65.2 -43.9 -36.9 -25.8 62.3 54 292 A K H > S+ 0 0 38 73,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.879 116.0 34.8 -55.0 -46.4 -33.8 -25.3 60.1 55 293 A V H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.868 114.0 58.1 -78.3 -39.4 -32.4 -22.7 62.5 56 294 A A H X S+ 0 0 9 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.923 113.1 40.8 -54.5 -44.8 -33.7 -24.3 65.6 57 295 A E H X S+ 0 0 68 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.721 108.6 58.8 -80.0 -24.3 -31.8 -27.5 64.7 58 296 A A H X S+ 0 0 20 -4,-1.0 4,-1.4 -5,-0.3 -1,-0.2 0.844 108.3 48.1 -70.2 -33.1 -28.7 -25.6 63.5 59 297 A A H X>S+ 0 0 1 -4,-2.2 5,-1.5 2,-0.2 4,-1.2 0.938 107.7 55.1 -66.2 -49.6 -28.5 -24.1 67.1 60 298 A K H <5S+ 0 0 163 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.844 104.5 54.8 -52.6 -38.4 -29.0 -27.6 68.5 61 299 A Q H <5S+ 0 0 146 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.944 109.8 43.4 -65.5 -49.1 -25.9 -28.9 66.6 62 300 A K H <5S- 0 0 165 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.626 115.0-125.9 -71.5 -12.7 -23.5 -26.2 67.9 63 301 A Q T <5 + 0 0 173 -4,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.893 66.7 116.4 72.5 47.0 -25.2 -26.9 71.3 64 302 A V S - 0 0 50 -2,-0.3 4,-3.1 1,-0.1 3,-0.2 -0.474 32.6-129.8 -68.3 140.0 -29.7 -21.9 72.9 66 304 A P H > S+ 0 0 33 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.819 108.7 59.0 -60.7 -35.5 -31.4 -20.5 69.8 67 305 A Y H > S+ 0 0 171 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.935 114.3 37.1 -55.8 -49.3 -32.0 -17.2 71.5 68 306 A D H > S+ 0 0 103 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 118.2 52.5 -66.2 -47.4 -28.2 -16.8 72.0 69 307 A F H X S+ 0 0 22 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.958 108.7 45.5 -55.9 -61.1 -27.4 -18.4 68.6 70 308 A T H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.3 5,-0.3 0.890 114.3 49.2 -55.8 -43.9 -29.6 -16.2 66.4 71 309 A T H X S+ 0 0 77 -4,-1.3 4,-1.5 -5,-0.4 -1,-0.3 0.888 111.5 52.1 -60.5 -38.4 -28.4 -13.0 68.1 72 310 A A H X S+ 0 0 57 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.934 116.0 37.5 -61.8 -49.1 -24.8 -14.3 67.6 73 311 A V H >X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 3,-0.7 0.953 110.2 58.7 -74.0 -51.8 -25.2 -14.9 63.9 74 312 A A H 3X S+ 0 0 2 -4,-2.8 4,-3.1 1,-0.3 -1,-0.2 0.881 106.6 53.5 -40.3 -42.8 -27.4 -11.9 63.2 75 313 A G H 3X S+ 0 0 36 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.3 0.900 103.6 52.7 -61.2 -43.1 -24.4 -10.1 64.6 76 314 A E H S+ 0 0 13 -4,-2.8 5,-1.2 1,-0.2 -1,-0.2 0.855 111.1 52.6 -64.5 -33.6 -22.7 -5.9 55.7 82 320 A E H ><5S+ 0 0 160 -4,-1.5 3,-0.9 -5,-0.3 -1,-0.2 0.860 108.4 51.0 -65.3 -37.6 -21.2 -3.0 57.7 83 321 A Q H 3<5S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.848 101.6 62.2 -67.8 -33.4 -17.8 -4.1 56.4 84 322 A M T 3<5S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.465 105.9-126.4 -76.9 -0.9 -19.1 -4.1 52.8 85 323 A D T < 5 + 0 0 45 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.870 49.4 163.5 62.8 38.1 -19.9 -0.4 53.0 86 324 A Y < - 0 0 27 -5,-1.2 -1,-0.1 1,-0.1 -60,-0.1 -0.163 39.9-136.9 -72.5 178.3 -23.6 -0.8 51.9 87 325 A S + 0 0 43 -2,-0.0 2,-0.3 0, 0.0 -43,-0.2 -0.319 42.9 152.9-132.9 49.5 -26.2 2.0 52.4 88 326 A I - 0 0 38 1,-0.1 -43,-0.1 -7,-0.1 3,-0.1 -0.624 37.2-147.6 -79.8 140.8 -29.1 -0.1 53.6 89 327 A D S S+ 0 0 61 -45,-0.7 2,-0.3 -2,-0.3 -44,-0.2 0.951 72.8 11.9 -74.6 -52.0 -31.5 1.9 55.8 90 328 A Y E -d 45 0A 19 -46,-1.5 -44,-1.6 161,-0.0 2,-0.5 -0.952 56.7-148.3-135.7 150.0 -32.7 -0.8 58.2 91 329 A F E -d 46 0A 26 164,-0.4 2,-0.3 -2,-0.3 -44,-0.3 -0.976 25.4-154.4-119.2 119.3 -31.8 -4.4 59.1 92 330 A I E -d 47 0A 1 -46,-2.0 -44,-2.9 -2,-0.5 2,-0.4 -0.687 10.7-164.8-106.3 145.6 -34.7 -6.5 60.1 93 331 A R E > -d 48 0A 48 -2,-0.3 3,-1.9 -46,-0.2 6,-0.2 -0.998 20.8-143.3-128.5 134.4 -35.0 -9.6 62.4 94 332 A T T 3 S+ 0 0 0 -46,-1.6 -45,-0.1 -2,-0.4 -1,-0.1 0.677 100.8 67.7 -71.6 -15.1 -37.9 -12.0 62.6 95 333 A T T 3 S+ 0 0 38 -47,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.585 77.0 115.5 -72.4 -11.2 -37.3 -12.3 66.3 96 334 A N <> - 0 0 41 -3,-1.9 4,-1.6 1,-0.1 3,-0.1 -0.379 68.8-136.0 -69.4 137.1 -38.4 -8.7 66.7 97 335 A E H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.852 103.5 53.5 -66.0 -37.1 -41.5 -8.1 68.7 98 336 A Q H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 105.9 55.3 -63.5 -41.8 -43.0 -5.5 66.3 99 337 A H H > S+ 0 0 0 -6,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.886 105.7 51.8 -56.2 -42.4 -42.5 -8.0 63.5 100 338 A K H X S+ 0 0 47 -4,-1.6 4,-3.1 1,-0.2 5,-0.4 0.944 104.5 55.4 -61.0 -48.8 -44.6 -10.6 65.4 101 339 A A H X S+ 0 0 45 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.909 112.4 44.7 -49.2 -42.9 -47.4 -8.1 65.9 102 340 A V H X S+ 0 0 1 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.950 110.9 51.5 -68.3 -51.0 -47.4 -7.7 62.1 103 341 A V H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.903 115.0 43.4 -51.7 -47.1 -47.2 -11.5 61.4 104 342 A K H X S+ 0 0 85 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.873 112.6 52.7 -66.5 -40.5 -50.1 -12.1 63.7 105 343 A E H X S+ 0 0 75 -4,-2.2 4,-1.2 -5,-0.4 -2,-0.2 0.897 111.1 47.2 -62.9 -40.8 -52.0 -9.2 62.3 106 344 A L H X S+ 0 0 1 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.894 109.2 55.2 -66.2 -43.1 -51.5 -10.5 58.8 107 345 A W H X S+ 0 0 7 -4,-2.2 4,-2.3 -5,-0.3 3,-0.3 0.967 106.5 49.1 -52.9 -55.8 -52.6 -14.0 59.9 108 346 A T H X S+ 0 0 65 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.793 106.9 57.0 -59.9 -30.8 -55.9 -12.8 61.3 109 347 A K H X S+ 0 0 66 -4,-1.2 4,-2.0 2,-0.2 -1,-0.3 0.955 108.5 46.2 -62.3 -49.2 -56.5 -10.9 58.0 110 348 A L H <>S+ 0 0 0 -4,-2.1 5,-2.2 -3,-0.3 6,-0.4 0.892 115.0 48.2 -61.1 -38.7 -56.2 -14.1 56.1 111 349 A E H ><5S+ 0 0 87 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.899 108.1 53.3 -68.7 -42.1 -58.4 -15.8 58.6 112 350 A Q H 3<5S+ 0 0 154 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.1 51.7 -69.1 -29.6 -61.1 -13.1 58.6 113 351 A K T 3<5S- 0 0 120 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.297 116.6-118.8 -85.9 10.5 -61.4 -13.3 54.7 114 352 A G T < 5S+ 0 0 37 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.713 78.5 124.1 67.8 25.1 -61.8 -17.1 55.2 115 353 A D < + 0 0 25 -5,-2.2 55,-2.3 54,-0.1 2,-0.4 0.229 59.5 72.2-102.2 12.1 -58.8 -18.2 53.2 116 354 A I E +G 169 0B 12 -6,-0.4 2,-0.3 -5,-0.3 53,-0.2 -0.998 57.6 164.8-127.7 129.2 -57.3 -20.2 56.1 117 355 A Y E -G 168 0B 75 51,-2.6 51,-4.2 -2,-0.4 2,-0.4 -0.983 41.7-101.0-141.4 149.9 -58.8 -23.5 57.3 118 356 A L E +G 167 0B 81 -2,-0.3 49,-0.3 49,-0.3 2,-0.2 -0.579 61.3 133.6 -75.6 122.2 -57.7 -26.4 59.5 119 357 A G - 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0 0 31 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 -0.045 32.5-102.8 100.1 148.9 -22.3 -10.4 -3.6 870 574 B Y H > S+ 0 0 45 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.964 116.5 46.8 -73.0 -52.1 -22.0 -6.7 -4.4 871 575 B D H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.869 111.8 52.2 -58.8 -40.3 -23.5 -5.3 -1.2 872 576 B A H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 111.2 46.4 -64.3 -42.3 -21.3 -7.6 1.0 873 577 B L H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.966 114.2 48.0 -61.9 -50.1 -18.2 -6.5 -0.8 874 578 B K H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.914 112.2 51.0 -53.5 -44.2 -19.2 -2.8 -0.5 875 579 B Y H X S+ 0 0 2 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.894 107.1 52.2 -64.0 -43.5 -20.0 -3.5 3.2 876 580 B F H X S+ 0 0 1 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.930 110.1 48.7 -57.7 -47.3 -16.6 -5.0 3.9 877 581 B L H X S+ 0 0 2 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.885 115.1 43.2 -64.5 -40.2 -14.8 -2.1 2.4 878 582 B L H < S+ 0 0 6 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.802 124.3 37.3 -72.4 -27.7 -16.7 0.5 4.3 879 583 B R H < S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.810 101.8 65.6 -96.6 -39.1 -16.5 -1.6 7.6 880 584 B E H < S+ 0 0 44 -4,-3.4 2,-0.3 -5,-0.2 -3,-0.1 0.801 115.5 9.3 -61.6 -30.7 -13.1 -3.2 7.7 881 585 B S < - 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