==== 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 4EG3 . 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 . 1056 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 744 70.5 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 . 86 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 40 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 3.3 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 2 5 4 4 3 0 2 1 0 2 0 2 1 1 1 5 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 1 2 2 0 0 1 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 . 5 5 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 7 2 1 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 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 0 208 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 146.0 3.1 9.8 -44.6 2 240 A K - 0 0 53 39,-0.1 2,-0.5 267,-0.0 39,-0.4 -0.739 360.0 -84.1-140.3 167.9 1.6 7.4 -47.2 3 241 A V - 0 0 12 265,-3.2 2,-0.3 -2,-0.2 39,-0.3 -0.777 52.7-115.6 -76.3 130.6 -1.6 6.6 -49.0 4 242 A F E -a 42 0A 21 37,-3.7 39,-3.0 -2,-0.5 2,-0.6 -0.590 36.2-159.9 -67.8 129.6 -3.5 4.3 -46.7 5 243 A F E +a 43 0A 0 -2,-0.3 268,-2.6 37,-0.2 269,-1.5 -0.932 14.1 177.3-126.6 102.7 -3.6 1.1 -48.7 6 244 A V E -ab 44 274A 0 37,-1.3 39,-0.8 -2,-0.6 2,-0.3 -0.843 10.2-159.9-106.8 145.5 -6.2 -1.6 -47.8 7 245 A T E -ab 45 275A 0 267,-2.1 269,-1.3 -2,-0.3 39,-0.2 -0.832 15.9-157.7-121.7 158.9 -6.7 -4.9 -49.7 8 246 A S - 0 0 0 37,-2.0 269,-0.1 -2,-0.3 17,-0.1 -0.945 42.7-100.6-119.3 148.7 -9.3 -7.6 -50.3 9 247 A P - 0 0 9 0, 0.0 38,-0.5 0, 0.0 2,-0.3 -0.458 38.2-116.6 -65.6 146.1 -8.1 -11.0 -51.4 10 248 A I - 0 0 16 36,-0.2 38,-0.3 229,-0.2 2,-0.2 -0.710 37.4-128.8 -83.3 139.8 -8.6 -11.4 -55.1 11 249 A Y E -e 48 0B 15 36,-2.1 38,-3.3 -2,-0.3 2,-0.1 -0.619 13.6-103.3-101.6 147.4 -11.1 -14.3 -55.7 12 250 A Y E > -e 49 0B 41 -2,-0.2 3,-0.5 36,-0.2 38,-0.2 -0.462 25.8-145.0 -64.4 135.1 -11.0 -17.4 -57.9 13 251 A V T 3 S+ 0 0 0 36,-1.2 60,-0.2 1,-0.2 -1,-0.1 0.113 71.2 106.8 -91.8 19.8 -13.2 -16.8 -61.0 14 252 A N T 3 S+ 0 0 48 59,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.606 86.1 12.3 -74.2 -13.1 -14.4 -20.5 -61.1 15 253 A A S < S- 0 0 34 -3,-0.5 -1,-0.0 1,-0.0 43,-0.0 -0.962 92.5 -68.7-158.0 170.7 -17.9 -19.6 -59.9 16 254 A A - 0 0 52 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.114 58.0 -99.3 -62.6 161.6 -20.4 -16.8 -59.1 17 255 A P + 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.525 45.2 178.4 -82.6 153.9 -19.8 -14.4 -56.3 18 256 A H >> - 0 0 55 -2,-0.2 4,-2.0 307,-0.1 3,-1.7 -0.878 48.0 -70.9-145.5 178.9 -21.4 -14.8 -52.9 19 257 A I H 3> S+ 0 0 1 305,-0.6 4,-3.3 1,-0.3 5,-0.2 0.778 121.6 64.3 -41.9 -38.3 -21.7 -13.4 -49.3 20 258 A G H 3> S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.904 109.9 36.0 -53.9 -45.4 -18.2 -14.6 -48.5 21 259 A H H <> S+ 0 0 40 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.846 116.4 53.7 -81.1 -35.1 -16.5 -12.3 -51.1 22 260 A V H X S+ 0 0 2 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.908 111.3 48.3 -60.1 -44.0 -19.0 -9.5 -50.4 23 261 A Y H >X S+ 0 0 7 -4,-3.3 4,-2.1 -5,-0.3 3,-1.0 0.975 110.9 47.8 -60.9 -58.0 -18.1 -9.8 -46.7 24 262 A S H 3X S+ 0 0 9 -4,-2.2 4,-1.5 1,-0.3 -1,-0.2 0.860 114.7 46.9 -54.1 -39.7 -14.3 -9.8 -47.2 25 263 A T H 3X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.714 106.9 57.8 -76.7 -21.4 -14.5 -6.8 -49.6 26 264 A L H S+ 0 0 6 -4,-2.1 5,-2.1 1,-0.3 -1,-0.2 0.844 111.4 49.2 -53.6 -35.2 -9.4 6.3 -43.0 36 274 A R H ><5S+ 0 0 47 -4,-1.9 3,-1.9 2,-0.2 -1,-0.3 0.906 107.1 53.7 -66.8 -42.9 -10.9 8.6 -45.7 37 275 A V H 3<5S+ 0 0 23 -4,-2.9 461,-3.2 1,-0.3 -2,-0.2 0.827 102.9 59.0 -61.9 -31.0 -13.4 10.0 -43.2 38 276 A K T 3<5S- 0 0 42 -4,-2.3 461,-0.8 -5,-0.2 -1,-0.3 0.604 123.1-112.6 -67.4 -13.2 -10.2 10.7 -41.1 39 277 A G T < 5S+ 0 0 47 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.484 74.2 134.4 92.3 5.5 -9.1 12.9 -44.1 40 278 A E < - 0 0 64 -5,-2.1 2,-0.4 1,-0.1 -1,-0.3 -0.430 62.7-108.3 -78.5 158.4 -6.2 10.5 -45.0 41 279 A R - 0 0 107 -39,-0.4 -37,-3.7 -2,-0.1 2,-0.3 -0.768 44.7-171.5 -90.5 141.9 -5.7 9.5 -48.6 42 280 A V E -a 4 0A 16 -2,-0.4 2,-0.4 -39,-0.3 -37,-0.2 -0.939 26.3-161.3-138.9 148.6 -6.6 5.9 -49.3 43 281 A F E -a 5 0A 11 -39,-3.0 -37,-1.3 -2,-0.3 2,-0.3 -0.898 14.3-170.7-135.0 106.2 -6.4 3.2 -51.9 44 282 A A E -a 6 0A 0 -2,-0.4 45,-1.2 43,-0.2 46,-0.5 -0.730 7.3-167.7 -95.1 148.9 -8.8 0.2 -51.6 45 283 A L E +a 7 0A 0 -39,-0.8 -37,-2.0 -2,-0.3 2,-0.2 -0.855 16.3 163.3-151.7 101.4 -8.3 -2.8 -53.9 46 284 A T E + f 0 91B 3 44,-1.4 46,-2.1 -2,-0.3 2,-0.3 -0.648 20.9 140.1-105.6 170.5 -10.5 -5.8 -54.6 47 285 A G E - f 0 92B 0 -38,-0.5 -36,-2.1 44,-0.3 2,-0.3 -0.993 41.7 -80.0 175.9-173.9 -10.1 -8.1 -57.7 48 286 A T E -ef 11 93B 0 44,-2.5 46,-1.5 -38,-0.3 2,-0.7 -0.913 18.9-142.6-122.6 145.1 -10.2 -11.6 -59.3 49 287 A D E +e 12 0B 4 -38,-3.3 -36,-1.2 -2,-0.3 44,-0.0 -0.920 31.1 167.4-104.4 108.5 -7.6 -14.4 -59.4 50 288 A E + 0 0 0 -2,-0.7 -1,-0.1 -38,-0.2 20,-0.1 0.753 38.9 77.9-107.7 -26.5 -7.9 -15.8 -62.9 51 289 A H + 0 0 7 184,-0.1 4,-0.4 4,-0.1 171,-0.2 -0.170 61.9 60.3 -78.5 172.1 -5.0 -18.1 -63.7 52 290 A G S > S- 0 0 0 169,-2.8 4,-3.2 166,-0.1 5,-0.2 0.025 86.3 -68.5 102.9 165.3 -4.4 -21.7 -62.7 53 291 A Q H > S+ 0 0 18 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.848 120.5 59.6 -60.7 -39.8 -5.6 -25.3 -62.8 54 292 A K H > S+ 0 0 36 73,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.944 117.6 30.2 -55.9 -55.0 -8.6 -24.6 -60.5 55 293 A V H > S+ 0 0 0 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.905 117.9 58.3 -70.3 -43.6 -10.2 -22.0 -62.8 56 294 A A H X S+ 0 0 9 -4,-3.2 4,-1.6 1,-0.3 3,-0.2 0.908 112.0 40.6 -53.2 -47.6 -8.7 -23.6 -66.0 57 295 A E H X S+ 0 0 66 -4,-3.3 4,-2.3 1,-0.2 -1,-0.3 0.763 108.9 61.1 -73.2 -27.1 -10.5 -26.9 -65.2 58 296 A A H X S+ 0 0 6 -4,-1.2 4,-0.6 -5,-0.3 -2,-0.2 0.790 106.4 48.1 -65.5 -30.5 -13.6 -24.9 -64.1 59 297 A A H <>S+ 0 0 1 -4,-1.9 5,-1.4 -3,-0.2 3,-0.5 0.889 108.7 52.1 -74.0 -44.6 -13.7 -23.6 -67.6 60 298 A K H ><5S+ 0 0 162 -4,-1.6 3,-1.9 1,-0.2 -2,-0.2 0.931 105.9 55.3 -57.8 -46.1 -13.3 -27.1 -69.2 61 299 A Q H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.787 107.4 50.8 -56.7 -30.9 -16.2 -28.3 -67.0 62 300 A K T 3<5S- 0 0 146 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.051 113.0-118.2-100.1 24.1 -18.4 -25.5 -68.5 63 301 A Q T < 5S+ 0 0 182 -3,-1.9 2,-0.3 1,-0.1 -3,-0.2 0.847 77.0 101.7 48.1 49.8 -17.6 -26.4 -72.1 64 302 A V S - 0 0 45 -2,-0.3 4,-3.1 1,-0.1 5,-0.2 -0.366 33.0-124.3 -68.8 146.5 -12.5 -21.3 -73.3 66 304 A P H >>S+ 0 0 34 0, 0.0 4,-3.5 0, 0.0 5,-0.5 0.905 110.5 59.3 -55.0 -43.4 -10.9 -19.8 -70.2 67 305 A Y H >5S+ 0 0 163 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.922 114.5 34.6 -52.7 -51.3 -10.6 -16.4 -72.0 68 306 A D H >5S+ 0 0 108 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.943 122.0 48.2 -67.3 -49.5 -14.4 -16.2 -72.5 69 307 A F H X5S+ 0 0 22 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.945 112.9 44.1 -57.3 -57.1 -15.3 -17.9 -69.2 70 308 A T H X5S+ 0 0 2 -4,-3.5 4,-3.2 1,-0.2 5,-0.3 0.906 112.1 52.8 -61.9 -45.4 -13.0 -15.9 -66.9 71 309 A T H XX S+ 0 0 5 -4,-2.5 4,-1.8 1,-0.2 3,-0.7 0.945 112.1 54.2 -61.1 -50.6 -17.3 -14.5 -64.3 74 312 A A H 3X S+ 0 0 2 -4,-3.2 4,-1.8 1,-0.3 -1,-0.2 0.828 106.5 56.2 -51.0 -33.3 -15.0 -11.6 -63.5 75 313 A G H 3X S+ 0 0 37 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.3 0.872 101.5 53.6 -65.4 -40.3 -17.9 -9.5 -65.0 76 314 A E H S+ 0 0 11 -4,-2.4 5,-1.0 1,-0.2 -1,-0.2 0.772 110.5 52.5 -70.4 -30.1 -19.5 -5.2 -56.2 82 320 A E H ><5S+ 0 0 152 -4,-1.7 3,-1.4 -5,-0.2 -1,-0.2 0.925 112.1 46.6 -65.7 -45.3 -20.9 -2.2 -58.1 83 321 A Q H 3<5S+ 0 0 79 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.795 100.5 66.9 -68.0 -29.7 -24.4 -3.1 -56.8 84 322 A M T 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.454 105.9-131.3 -73.0 -1.4 -23.0 -3.5 -53.3 85 323 A D T < 5 + 0 0 40 -3,-1.4 -3,-0.1 -5,-0.1 -2,-0.1 0.916 47.4 158.9 60.3 53.2 -22.4 0.2 -53.3 86 324 A Y < - 0 0 26 -5,-1.0 -60,-0.1 -4,-0.1 -1,-0.1 0.012 43.2-131.8 -86.3-163.0 -18.8 0.1 -52.1 87 325 A S + 0 0 49 -2,-0.0 2,-0.3 0, 0.0 -43,-0.2 -0.231 44.0 152.6-149.0 54.6 -16.0 2.7 -52.6 88 326 A I - 0 0 41 1,-0.1 -43,-0.2 -45,-0.1 3,-0.1 -0.626 41.0-142.3 -87.5 147.0 -13.0 0.8 -53.8 89 327 A D S S+ 0 0 52 -45,-1.2 2,-0.3 -2,-0.3 -44,-0.2 0.493 76.6 11.0 -89.1 -7.2 -10.4 2.5 -56.0 90 328 A Y - 0 0 22 -46,-0.5 -44,-1.4 2,-0.0 2,-0.6 -0.897 50.4-147.7-170.9 143.8 -9.6 -0.4 -58.3 91 329 A F E -f 46 0B 26 164,-0.4 -44,-0.3 -2,-0.3 2,-0.2 -0.950 31.6-159.8-113.2 107.9 -10.7 -3.9 -59.5 92 330 A I E -f 47 0B 0 -46,-2.1 -44,-2.5 -2,-0.6 2,-0.4 -0.532 9.9-165.4 -93.9 152.0 -7.7 -5.9 -60.5 93 331 A R E > -f 48 0B 54 -46,-0.2 3,-1.6 -2,-0.2 6,-0.2 -0.991 21.1-143.5-137.0 130.3 -7.5 -9.0 -62.7 94 332 A T T 3 S+ 0 0 0 -46,-1.5 6,-0.1 -2,-0.4 -45,-0.1 0.660 101.2 66.5 -69.7 -15.1 -4.5 -11.3 -62.9 95 333 A T T 3 S+ 0 0 30 -47,-0.2 -1,-0.3 4,-0.1 -46,-0.1 0.714 78.7 112.2 -71.1 -21.2 -5.2 -11.8 -66.7 96 334 A N S <> S- 0 0 31 -3,-1.6 4,-1.8 1,-0.1 3,-0.2 -0.290 71.2-134.3 -57.5 135.9 -4.3 -8.1 -67.1 97 335 A E H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.853 101.6 54.0 -63.8 -42.1 -1.1 -7.4 -69.0 98 336 A Q H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.901 107.4 53.2 -64.7 -38.7 0.5 -4.9 -66.7 99 337 A H H >> S+ 0 0 0 -6,-0.2 4,-2.3 1,-0.2 3,-0.6 0.954 104.7 54.3 -55.1 -52.1 0.1 -7.3 -63.8 100 338 A K H 3X S+ 0 0 47 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.849 104.3 56.4 -52.6 -38.7 1.9 -10.1 -65.8 101 339 A A H 3X S+ 0 0 44 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.916 108.6 46.2 -59.1 -44.3 4.8 -7.6 -66.2 102 340 A V H S+ 0 0 0 -4,-2.5 5,-1.5 1,-0.2 3,-0.3 0.949 112.1 49.6 -63.7 -52.0 13.7 -13.5 -56.6 111 349 A E H ><5S+ 0 0 83 -4,-2.5 3,-2.5 1,-0.2 5,-0.4 0.935 104.4 61.7 -45.7 -52.7 15.9 -15.5 -59.0 112 350 A Q H 3<5S+ 0 0 132 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.858 101.1 50.6 -48.4 -48.4 18.5 -12.7 -58.9 113 351 A K T 3<5S- 0 0 121 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.121 118.2-110.1 -83.2 22.1 19.2 -13.1 -55.2 114 352 A G T < 5S+ 0 0 39 -3,-2.5 -3,-0.2 1,-0.1 -2,-0.1 0.617 83.9 122.5 68.0 17.2 19.7 -16.9 -55.5 115 353 A D < + 0 0 25 -5,-1.5 55,-2.1 -4,-0.1 2,-0.4 0.223 59.2 67.4-101.0 11.8 16.4 -17.8 -53.7 116 354 A I E +G 169 0C 8 -5,-0.4 2,-0.3 -6,-0.3 53,-0.2 -1.000 58.7 161.9-128.5 137.5 14.9 -19.8 -56.6 117 355 A Y E -G 168 0C 71 51,-2.2 51,-3.9 -2,-0.4 2,-0.6 -0.955 43.7 -96.5-145.9 161.4 16.3 -23.1 -57.9 118 356 A L E +G 167 0C 80 -2,-0.3 49,-0.2 49,-0.2 2,-0.2 -0.727 62.4 135.2 -85.5 118.2 15.2 -26.1 -60.0 119 357 A G E -G 166 0C 15 47,-2.8 47,-1.0 -2,-0.6 2,-0.3 -0.503 47.3 -91.5-136.3-155.7 14.0 -28.9 -57.8 120 358 A R E -G 165 0C 122 45,-0.3 2,-0.4 -2,-0.2 45,-0.2 -0.922 14.4-156.7-124.5 153.4 11.2 -31.5 -57.4 121 359 A Y E +G 164 0C 44 43,-2.4 43,-1.9 -2,-0.3 2,-0.5 -0.943 16.7 171.4-127.0 118.0 8.0 -31.6 -55.6 122 360 A E E +G 163 0C 122 -2,-0.4 2,-0.3 41,-0.2 41,-0.2 -0.912 44.7 71.9-122.4 97.4 6.7 -35.1 -54.8 123 361 A G E S-G 162 0C 8 39,-2.5 39,-2.6 -2,-0.5 11,-0.1 -0.952 77.8 -39.7-179.4-168.0 3.7 -34.8 -52.5 124 362 A W E +GH 161 133C 51 9,-0.8 9,-0.8 -2,-0.3 2,-0.3 -0.287 42.4 179.6 -84.2 165.3 0.0 -33.8 -52.1 125 363 A Y E -GH 160 132C 2 35,-0.8 35,-2.1 7,-0.2 2,-0.6 -0.931 23.7-143.2-165.4 138.1 -2.0 -31.0 -53.5 126 364 A S E >> -GH 159 131C 0 5,-2.2 5,-1.5 -2,-0.3 4,-1.1 -0.938 8.2-168.0-105.9 113.2 -5.6 -29.6 -53.5 127 365 A I T >45S+ 0 0 29 -2,-0.6 3,-0.7 31,-0.6 -73,-0.3 0.943 89.4 58.5 -62.7 -45.4 -6.5 -28.2 -56.9 128 366 A S T 345S+ 0 0 37 30,-0.4 -1,-0.2 1,-0.3 31,-0.1 0.793 121.1 26.6 -56.2 -30.6 -9.6 -26.6 -55.3 129 367 A D T 345S- 0 0 43 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.452 96.8-134.5-106.3 -5.1 -7.4 -24.7 -52.9 130 368 A E T <<5 + 0 0 0 -4,-1.1 2,-0.4 -3,-0.7 -3,-0.2 0.893 61.4 141.1 45.2 46.1 -4.3 -24.6 -55.1 131 369 A S E < -H 126 0C 9 -5,-1.5 -5,-2.2 105,-0.0 2,-0.3 -0.949 55.0-133.7-123.9 132.3 -2.5 -25.5 -51.9 132 370 A F E -H 125 0C 16 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.685 31.7-172.7 -77.2 136.9 0.4 -27.9 -51.1 133 371 A L E 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1,-0.3 -1,-0.2 0.833 66.2 65.3 -55.3 -37.0 11.2 -20.6 -48.0 172 410 A S G > S+ 0 0 56 1,-0.3 3,-1.0 -3,-0.3 4,-0.3 0.782 91.9 63.3 -59.2 -29.5 13.2 -22.5 -45.3 173 411 A A G < S+ 0 0 45 -3,-1.7 -1,-0.3 1,-0.2 3,-0.3 0.772 102.3 52.7 -61.7 -25.2 15.9 -19.8 -45.5 174 412 A F G <> S+ 0 0 0 -3,-2.0 4,-2.4 -4,-0.4 -1,-0.2 0.267 76.0 96.0-102.2 11.0 13.4 -17.3 -44.2 175 413 A R H <> S+ 0 0 83 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.900 85.8 48.1 -71.7 -40.3 12.0 -18.9 -41.0 176 414 A E H > S+ 0 0 135 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.888 115.6 44.7 -67.2 -38.6 14.2 -17.2 -38.5 177 415 A R H > S+ 0 0 107 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.894 111.8 52.2 -73.6 -42.1 13.6 -13.8 -40.1 178 416 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.943 108.2 53.0 -53.2 -48.8 9.8 -14.4 -40.3 179 417 A L H X S+ 0 0 28 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.853 108.3 49.7 -58.7 -35.9 10.0 -15.3 -36.6 180 418 A E H X S+ 0 0 110 -4,-1.5 4,-3.9 2,-0.2 3,-0.3 0.927 109.2 52.4 -65.8 -44.0 11.7 -12.0 -35.9 181 419 A W H X S+ 0 0 25 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.868 108.0 50.5 -60.6 -38.4 9.0 -10.1 -37.9 182 420 A Y H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 6,-0.2 0.821 119.8 37.0 -67.3 -31.7 6.2 -11.8 -35.9 183 421 A H H < S+ 0 0 45 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.804 112.6 54.8 -91.2 -38.6 7.9 -10.8 -32.6 184 422 A A H < S+ 0 0 70 -4,-3.9 -3,-0.2 1,-0.3 -2,-0.2 0.845 119.8 36.3 -61.9 -33.3 9.2 -7.4 -33.7 185 423 A N S >< S+ 0 0 75 -4,-1.5 3,-2.1 -5,-0.3 -1,-0.3 -0.658 71.2 178.8-122.8 74.7 5.6 -6.5 -34.7 186 424 A P T 3 S+ 0 0 23 0, 0.0 741,-0.1 0, 0.0 -1,-0.1 0.356 80.5 47.1 -63.4 5.7 3.3 -8.2 -32.1 187 425 A G T 3 S+ 0 0 13 115,-0.1 117,-0.1 739,-0.1 741,-0.1 0.150 76.8 103.8-128.1 19.0 0.1 -6.8 -33.7 188 426 A C S < S+ 0 0 2 -3,-2.1 116,-2.4 -6,-0.2 2,-0.4 0.620 79.8 50.8 -81.4 -16.8 0.8 -7.6 -37.4 189 427 A I E S-c 304 0A 1 -4,-0.2 6,-0.3 114,-0.2 116,-0.2 -0.985 86.8-135.2-121.9 123.7 -1.6 -10.6 -37.4 190 428 A V E S+c 305 0A 11 114,-2.6 116,-2.7 -2,-0.4 2,-0.2 -0.933 79.0 42.6-125.6 147.1 -5.2 -10.2 -36.1 191 429 A P S >> S- 0 0 3 0, 0.0 4,-1.0 0, 0.0 3,-0.9 0.676 88.8-127.5 -64.0 161.6 -7.1 -11.7 -34.3 192 430 A E H >> S+ 0 0 11 1,-0.3 3,-1.8 2,-0.2 4,-1.6 0.889 103.2 55.2 -52.1 -51.6 -4.3 -12.5 -31.9 193 431 A F H 3> S+ 0 0 53 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.828 102.1 58.1 -57.0 -32.6 -4.8 -16.3 -31.7 194 432 A R H <> S+ 0 0 12 -3,-0.9 4,-1.5 2,-0.2 -1,-0.3 0.801 103.6 54.7 -66.6 -27.7 -4.5 -16.5 -35.5 195 433 A R H > -L 231 0E 32 -2,-0.3 4,-1.2 17,-0.2 3,-0.9 -0.434 38.4-132.4 -61.7 118.3 4.5 -28.2 -65.5 215 453 A R T 34>S+ 0 0 102 15,-2.1 5,-2.0 -2,-0.3 3,-0.4 0.846 104.9 56.7 -34.2 -51.2 2.8 -26.2 -68.3 216 454 A A T >45S+ 0 0 74 1,-0.2 3,-2.1 14,-0.2 -1,-0.3 0.905 99.5 57.7 -53.3 -49.8 0.7 -29.3 -69.2 217 455 A T T <45S+ 0 0 35 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.868 109.3 44.5 -51.7 -45.0 -0.8 -29.7 -65.7 218 456 A L T ><5S- 0 0 1 -4,-1.2 3,-1.0 -3,-0.4 -1,-0.3 0.385 111.6-115.9 -84.1 1.7 -2.2 -26.1 -65.8 219 457 A H T < 5 - 0 0 93 -3,-2.1 -3,-0.2 -4,-0.4 -2,-0.1 0.885 64.1 -71.5 61.4 38.1 -3.6 -26.4 -69.3 220 458 A N T 3 -M 228 0E 4 6,-1.6 3,-1.5 3,-0.6 6,-0.2 -0.650 41.3-103.9 -74.8 133.8 8.3 -18.5 -66.0 226 464 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 -0.361 102.1 9.4 -55.9 139.4 11.0 -16.2 -67.4 227 465 A G T 3 S+ 0 0 90 -3,-0.0 -2,-0.0 -2,-0.0 0, 0.0 0.485 124.1 68.2 69.6 5.3 13.7 -17.9 -69.4 228 466 A N E X - M 0 225E 36 -3,-1.5 3,-2.1 3,-0.1 -3,-0.6 -0.512 52.3-177.1-160.8 81.9 11.7 -21.2 -69.4 229 467 A P E 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.662 79.0 77.9 -55.3 -22.7 8.4 -21.5 -71.4 230 468 A D E 3 S+ 0 0 97 -6,-0.1 -15,-2.1 -16,-0.1 2,-0.3 0.646 95.4 54.0 -62.3 -17.3 8.0 -25.1 -70.1 231 469 A H E < -L 214 0E 11 -3,-2.1 -6,-1.6 -6,-0.2 2,-0.3 -0.763 65.5-153.2-116.0 160.7 6.9 -23.7 -66.7 232 470 A X E -LM 213 224E 25 -19,-1.4 -19,-1.4 -8,-0.3 2,-0.2 -0.994 36.3 -98.4-131.1 145.0 4.2 -21.3 -65.5 233 471 A V E -L 212 0E 0 -10,-3.6 -10,-0.4 -2,-0.3 -21,-0.3 -0.371 49.3 -95.2 -67.1 127.1 4.4 -19.3 -62.3 234 472 A Y >> - 0 0 0 -23,-3.0 4,-2.2 -2,-0.2 3,-0.9 -0.081 35.5-119.2 -41.5 130.0 2.6 -20.8 -59.3 235 473 A V H 3> S+ 0 0 1 1,-0.3 4,-3.6 2,-0.2 -1,-0.1 0.763 110.7 53.0 -48.8 -33.9 -0.9 -19.3 -59.1 236 474 A W H 3> S+ 0 0 16 2,-0.3 4,-3.2 1,-0.2 -1,-0.3 0.851 106.0 49.0 -77.0 -37.5 -0.2 -17.9 -55.6 237 475 A L H <> S+ 0 0 1 -3,-0.9 4,-1.0 2,-0.2 -2,-0.2 0.883 118.7 43.9 -66.2 -37.5 3.0 -16.1 -56.5 238 476 A D H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 3,-0.4 0.963 117.6 44.5 -61.1 -55.1 1.0 -14.7 -59.4 239 477 A A H >< S+ 0 0 3 -4,-3.6 3,-1.2 1,-0.2 -2,-0.2 0.857 110.9 52.0 -64.0 -40.7 -2.0 -14.0 -57.2 240 478 A L H >< S+ 0 0 3 -4,-3.2 3,-1.5 1,-0.2 4,-0.4 0.818 98.3 66.6 -66.1 -31.1 -0.1 -12.4 -54.3 241 479 A T T >X S+ 0 0 1 -4,-1.0 4,-2.2 -3,-0.4 3,-0.6 0.664 77.3 85.4 -67.9 -13.9 1.6 -10.0 -56.6 242 480 A N H <> S+ 0 0 2 -3,-1.2 4,-2.4 -4,-0.4 -1,-0.3 0.773 85.3 56.9 -55.6 -29.6 -1.8 -8.3 -57.3 243 481 A Y H <> S+ 0 0 2 -3,-1.5 4,-1.1 2,-0.2 -1,-0.3 0.884 108.8 44.8 -68.0 -40.5 -1.1 -6.2 -54.2 244 482 A L H <4 S+ 0 0 3 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19.7 588 290 B G H > S- 0 0 2 165,-2.0 4,-1.8 1,-0.1 5,-0.1 -0.053 91.4 -62.8 92.6 175.8 -41.1 16.3 19.0 589 291 B Q H > S+ 0 0 20 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.855 121.5 61.5 -68.2 -41.9 -44.3 14.4 19.5 590 292 B K H > S+ 0 0 44 73,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.946 113.6 36.2 -53.3 -53.5 -43.4 11.3 17.4 591 293 B V H X S+ 0 0 0 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.873 116.6 55.5 -67.3 -39.5 -40.4 10.5 19.7 592 294 B A H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 3,-0.3 0.908 108.2 46.0 -60.3 -46.7 -42.3 11.6 22.8 593 295 B E H X S+ 0 0 93 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.748 107.1 60.0 -70.9 -24.1 -45.3 9.3 22.3 594 296 B A H X S+ 0 0 16 -4,-1.1 4,-1.1 -5,-0.3 -1,-0.2 0.833 108.8 43.5 -68.6 -34.9 -42.9 6.5 21.5 595 297 B A H X>S+ 0 0 1 -4,-1.4 5,-2.3 -3,-0.3 4,-0.8 0.860 111.8 52.9 -75.7 -40.3 -41.5 6.9 25.0 596 298 B K H ><5S+ 0 0 150 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.883 106.7 54.5 -59.3 -40.1 -45.0 7.3 26.5 597 299 B Q H 3<5S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.883 111.0 44.6 -59.2 -40.1 -45.8 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