==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 05-APR-07 2PFQ . COMPND 2 MOLECULE: TEMPLATE; . SOURCE 2 MOL_ID: 2; . AUTHOR M.GARCIA-DIAZ,K.BEBENEK,J.M.KRAHN,L.C.PEDERSEN,T.A.KUNKEL . 324 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 2 0 1 2 2 2 1 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 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 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 1 252 A H 0 0 96 0, 0.0 35,-0.1 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 -34.5 31.4 9.0 28.3 2 253 A N - 0 0 93 33,-0.5 5,-0.1 1,-0.1 34,-0.1 0.865 360.0-147.7 73.8 43.7 29.9 8.0 24.9 3 254 A L >> - 0 0 19 32,-0.4 4,-1.8 1,-0.2 3,-0.9 0.042 21.2-121.6 -46.0 137.8 30.1 4.1 25.2 4 255 A H T 34 S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.675 114.7 64.4 -54.0 -12.6 30.8 2.0 22.1 5 256 A I T >> S+ 0 0 12 2,-0.2 3,-1.7 1,-0.2 4,-0.8 0.934 99.9 44.3 -76.6 -48.9 27.5 0.5 23.2 6 257 A T H <> S+ 0 0 0 -3,-0.9 4,-2.5 1,-0.3 3,-0.3 0.810 106.5 63.6 -63.9 -30.4 25.3 3.6 22.8 7 258 A E H 3< S+ 0 0 112 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.617 105.4 46.3 -68.7 -11.9 27.1 4.0 19.5 8 259 A K H <4 S+ 0 0 27 -3,-1.7 4,-0.3 -5,-0.2 -1,-0.3 0.598 109.9 52.7-102.1 -19.1 25.4 0.7 18.6 9 260 A L H >X S+ 0 0 2 -4,-0.8 4,-3.7 -3,-0.3 3,-1.5 0.854 101.6 56.8 -84.0 -39.6 22.0 1.7 19.9 10 261 A E H 3X S+ 0 0 82 -4,-2.5 4,-2.8 1,-0.3 5,-0.3 0.853 99.3 63.6 -58.9 -32.6 21.8 4.9 17.9 11 262 A V H 34 S+ 0 0 81 -5,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.809 112.8 34.4 -60.0 -29.9 22.3 2.6 14.9 12 263 A L H <> S+ 0 0 3 -3,-1.5 4,-2.6 -4,-0.3 5,-0.4 0.876 112.0 60.1 -89.3 -47.5 19.0 1.1 16.0 13 264 A A H X S+ 0 0 15 -4,-3.7 4,-1.5 1,-0.3 -2,-0.2 0.902 109.3 43.7 -46.5 -50.6 17.4 4.3 17.2 14 265 A K H X S+ 0 0 38 -4,-2.8 4,-2.7 1,-0.2 -1,-0.3 0.833 110.5 58.9 -65.7 -31.5 17.7 5.8 13.7 15 266 A A H > S+ 0 0 0 -4,-0.4 4,-1.8 -5,-0.3 -2,-0.2 0.954 108.9 40.7 -62.5 -52.8 16.6 2.5 12.3 16 267 A Y H <>S+ 0 0 47 -4,-2.6 5,-3.4 2,-0.2 9,-0.2 0.762 115.0 55.8 -68.0 -24.9 13.2 2.5 14.1 17 268 A S H ><5S+ 0 0 67 -4,-1.5 3,-2.1 -5,-0.4 -2,-0.2 0.982 110.7 40.0 -70.1 -58.5 12.9 6.2 13.4 18 269 A V H 3<5S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.825 111.4 59.8 -59.8 -31.6 13.3 6.0 9.6 19 270 A Q T 3<5S- 0 0 52 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.504 120.9-111.8 -74.3 -3.8 11.1 2.9 9.6 20 271 A G T < 5S+ 0 0 40 -3,-2.1 2,-1.1 1,-0.1 3,-0.2 0.649 77.7 132.9 82.6 15.9 8.4 5.1 11.2 21 272 A D >< + 0 0 66 -5,-3.4 4,-2.8 1,-0.2 5,-0.3 -0.462 26.4 167.1 -96.2 60.8 8.4 3.5 14.6 22 273 A K H > + 0 0 57 -2,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.866 67.7 45.9 -39.5 -61.5 8.5 6.9 16.3 23 274 A W H > S+ 0 0 196 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 115.0 44.8 -55.9 -49.7 7.6 5.8 19.9 24 275 A R H > S+ 0 0 119 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.930 115.0 49.8 -61.9 -42.0 10.0 2.8 20.0 25 276 A A H X S+ 0 0 10 -4,-2.8 4,-0.6 1,-0.2 -1,-0.3 0.782 108.1 54.5 -64.8 -28.2 12.7 5.0 18.4 26 277 A L H X S+ 0 0 53 -4,-1.9 4,-1.7 -5,-0.3 5,-0.3 0.862 103.5 55.8 -72.5 -36.4 11.8 7.6 21.1 27 278 A G H X S+ 0 0 40 -4,-2.1 4,-1.5 1,-0.3 -2,-0.2 0.934 110.5 43.1 -60.2 -46.7 12.4 4.9 23.7 28 279 A Y H X S+ 0 0 17 -4,-1.9 4,-1.0 1,-0.2 -1,-0.3 0.663 107.0 68.4 -71.5 -16.5 15.9 4.4 22.4 29 280 A A H X S+ 0 0 35 -4,-0.6 4,-1.4 -5,-0.2 -2,-0.2 0.933 107.8 30.5 -68.8 -49.8 16.2 8.1 22.2 30 281 A K H X S+ 0 0 127 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.791 112.9 62.4 -82.2 -29.3 16.3 8.9 25.9 31 282 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.833 110.2 43.2 -63.8 -30.9 17.9 5.7 27.0 32 283 A I H X S+ 0 0 15 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.867 107.9 56.4 -81.0 -40.4 20.9 6.8 24.9 33 284 A N H < S+ 0 0 70 -4,-1.4 4,-0.3 1,-0.2 -2,-0.2 0.723 109.7 50.4 -63.8 -20.3 20.8 10.4 26.1 34 285 A A H >< S+ 0 0 24 -4,-1.2 3,-1.7 2,-0.2 -2,-0.2 0.942 107.8 47.9 -80.6 -54.9 21.1 9.0 29.5 35 286 A L H 3< S+ 0 0 23 -4,-1.6 -33,-0.5 1,-0.3 3,-0.4 0.719 112.6 53.7 -58.0 -20.3 24.1 6.7 28.9 36 287 A K T 3< S+ 0 0 46 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.661 106.3 50.8 -87.4 -18.9 25.6 9.8 27.2 37 288 A S S < S+ 0 0 91 -3,-1.7 2,-0.6 -4,-0.3 -2,-0.2 0.191 82.4 124.9-103.0 16.6 25.0 11.9 30.4 38 289 A F - 0 0 36 -3,-0.4 -36,-0.1 -4,-0.2 -3,-0.0 -0.722 55.1-148.5 -87.8 117.4 26.7 9.2 32.6 39 290 A H S S+ 0 0 182 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.0 0.751 87.1 0.2 -49.4 -38.5 29.6 10.6 34.8 40 291 A K S S- 0 0 49 -3,-0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.887 93.6-101.0-163.6 130.4 31.4 7.4 34.7 41 292 A P - 0 0 72 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.009 29.5-140.6 -55.3 144.9 30.3 4.4 33.0 42 293 A V - 0 0 36 -7,-0.1 3,-0.0 2,-0.0 -4,-0.0 -0.558 14.6-169.7-104.8 168.7 28.6 1.3 34.5 43 294 A T + 0 0 113 -2,-0.2 2,-0.4 24,-0.0 -1,-0.0 -0.021 54.8 96.6-149.8 35.8 28.9 -2.4 33.9 44 295 A S > - 0 0 60 1,-0.1 4,-1.8 2,-0.0 5,-0.2 -0.995 67.5-135.7-135.4 132.8 26.0 -4.0 35.8 45 296 A Y H > S+ 0 0 97 -2,-0.4 4,-1.0 1,-0.2 14,-0.1 0.749 109.5 40.5 -52.5 -25.7 22.6 -5.1 34.7 46 297 A Q H > S+ 0 0 62 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.946 106.9 54.1 -87.9 -65.4 21.3 -3.5 37.9 47 298 A E H > S+ 0 0 118 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.764 112.5 52.1 -41.3 -30.5 23.2 -0.2 38.4 48 299 A A H >< S+ 0 0 12 -4,-1.8 3,-1.1 2,-0.2 6,-0.3 0.979 103.1 52.1 -72.3 -60.3 22.0 0.5 34.8 49 300 A C H 3< S+ 0 0 47 -4,-1.0 -2,-0.2 1,-0.3 5,-0.2 0.847 104.8 62.1 -43.8 -37.9 18.3 -0.1 35.3 50 301 A S H 3< S+ 0 0 79 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.938 81.7 93.7 -54.7 -51.1 18.7 2.3 38.2 51 302 A I S X< S- 0 0 36 -4,-1.1 3,-1.6 -3,-1.1 -16,-0.1 -0.175 92.0-107.8 -46.5 124.5 19.7 5.1 35.8 52 303 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.277 101.7 25.6 -59.3 140.7 16.5 7.0 35.0 53 304 A G T 3 S+ 0 0 60 1,-0.2 2,-0.7 -4,-0.1 -22,-0.1 0.042 95.8 105.8 95.6 -26.9 15.2 6.5 31.4 54 305 A I < - 0 0 8 -3,-1.6 -1,-0.2 -6,-0.3 2,-0.1 -0.790 55.0-165.1 -92.9 115.3 16.8 3.1 31.1 55 306 A G > - 0 0 39 -2,-0.7 4,-1.8 -3,-0.1 5,-0.2 -0.286 35.2 -89.4 -92.6 179.6 14.3 0.3 31.3 56 307 A K H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 3,-0.1 0.944 123.9 45.0 -49.8 -62.0 14.4 -3.5 31.9 57 308 A R H > S+ 0 0 161 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.843 107.8 60.1 -54.8 -39.1 14.7 -4.4 28.2 58 309 A M H >> S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 3,-1.3 0.960 107.8 42.2 -55.5 -57.1 17.3 -1.7 27.5 59 310 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.3 5,-0.2 0.856 103.0 69.9 -59.0 -36.6 19.8 -3.1 30.1 60 311 A E H 3X S+ 0 0 87 -4,-1.9 4,-0.8 1,-0.2 -1,-0.3 0.816 108.2 36.5 -51.2 -33.3 19.1 -6.6 28.8 61 312 A K H S+ 0 0 50 -4,-2.4 4,-3.2 1,-0.2 5,-0.7 0.962 103.7 56.9 -48.8 -59.0 24.9 -6.6 28.8 64 315 A E H X>S+ 0 0 29 -4,-0.8 4,-1.4 -5,-0.2 6,-0.9 0.814 114.2 38.4 -44.8 -42.9 25.0 -8.5 25.6 65 316 A I H <5S+ 0 0 1 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.981 120.6 39.2 -72.6 -60.7 27.2 -5.9 24.1 66 317 A L H <5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.827 124.4 43.4 -54.5 -41.3 29.5 -4.8 26.8 67 318 A E H <5S+ 0 0 138 -4,-3.2 -1,-0.3 -5,-0.5 -3,-0.2 0.909 139.1 6.4 -73.4 -49.0 29.7 -8.2 27.8 68 319 A S T <> - 0 0 4 -2,-0.3 4,-1.0 1,-0.1 3,-0.5 -0.868 14.2-153.5-142.9 104.6 23.9 -7.2 19.4 72 323 A R H >> S+ 0 0 169 -2,-0.3 4,-1.0 1,-0.2 3,-0.6 0.823 94.0 54.1 -41.9 -48.3 21.3 -9.5 17.8 73 324 A K H >4 S+ 0 0 25 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.930 99.6 61.0 -57.2 -49.2 19.2 -6.6 16.5 74 325 A L H X4 S+ 0 0 47 -3,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.803 106.0 47.0 -49.0 -37.4 22.0 -4.9 14.6 75 326 A D H << S+ 0 0 83 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.739 110.1 51.4 -80.7 -23.7 22.6 -8.0 12.4 76 327 A H T << S+ 0 0 162 -3,-1.0 2,-0.5 -4,-1.0 -1,-0.2 0.113 78.3 131.0 -99.5 21.5 18.9 -8.5 11.5 77 328 A I < - 0 0 47 -3,-0.7 -3,-0.0 -4,-0.1 -65,-0.0 -0.656 67.5-106.2 -79.1 120.5 18.3 -4.9 10.5 78 329 A S > - 0 0 65 -2,-0.5 3,-1.6 1,-0.2 2,-0.1 -0.058 18.4-124.2 -46.0 138.7 16.6 -4.8 7.1 79 330 A E T 3 S+ 0 0 90 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.073 106.3 73.8 -74.6 28.1 18.8 -3.8 4.2 80 331 A S T 3> S+ 0 0 16 -2,-0.1 4,-2.1 2,-0.1 3,-0.3 0.654 71.1 80.5-110.5 -28.6 16.2 -1.1 3.7 81 332 A V H <> S+ 0 0 10 -3,-1.6 4,-2.3 1,-0.2 5,-0.2 0.894 92.1 49.0 -47.4 -53.5 17.1 1.2 6.6 82 333 A P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.901 112.8 47.9 -57.2 -41.8 20.1 2.9 4.9 83 334 A V H > S+ 0 0 24 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.822 111.4 50.9 -68.7 -30.2 18.0 3.6 1.8 84 335 A L H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.844 110.6 49.1 -73.8 -34.8 15.2 5.0 3.9 85 336 A E H X S+ 0 0 86 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.902 110.6 51.4 -69.2 -41.2 17.7 7.2 5.7 86 337 A L H >< S+ 0 0 52 -4,-2.4 3,-0.9 -5,-0.2 -2,-0.2 0.976 116.2 39.6 -58.0 -57.3 19.0 8.4 2.3 87 338 A F H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.880 112.2 56.1 -60.7 -42.4 15.5 9.2 1.1 88 339 A S H 3< S+ 0 0 33 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.678 93.4 71.2 -66.7 -17.2 14.3 10.7 4.4 89 340 A N T << S+ 0 0 62 -4,-1.1 2,-0.5 -3,-0.9 -1,-0.3 0.341 75.3 100.2 -80.8 7.5 17.3 13.1 4.3 90 341 A I S X S- 0 0 2 -3,-1.6 3,-2.2 3,-0.2 2,-0.1 -0.845 86.2-114.6 -93.5 126.4 15.5 14.9 1.5 91 342 A W T 3 S+ 0 0 62 -2,-0.5 34,-0.4 1,-0.3 35,-0.2 -0.398 103.6 24.5 -62.1 131.1 13.8 18.0 2.9 92 343 A G T 3 S+ 0 0 35 1,-0.3 2,-0.5 -4,-0.1 -1,-0.3 0.228 105.0 97.9 98.1 -15.0 10.1 17.7 2.6 93 344 A A < + 0 0 11 -3,-2.2 -1,-0.3 -5,-0.2 2,-0.2 -0.921 49.8 174.2-110.8 131.8 10.3 13.9 2.5 94 345 A G > - 0 0 35 -2,-0.5 4,-2.6 -3,-0.1 5,-0.2 -0.494 51.2 -71.8-121.0-167.6 9.7 11.8 5.6 95 346 A T H > S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.914 126.9 55.5 -55.3 -44.3 9.4 8.2 6.7 96 347 A K H > S+ 0 0 165 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.928 113.3 38.4 -55.9 -50.7 6.0 7.8 5.0 97 348 A T H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.877 113.5 57.6 -67.7 -39.0 7.2 9.0 1.6 98 349 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.916 108.4 44.6 -58.6 -45.3 10.5 7.1 2.0 99 350 A Q H X S+ 0 0 82 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.819 112.3 54.2 -70.5 -28.6 8.8 3.8 2.5 100 351 A M H X S+ 0 0 85 -4,-1.4 4,-1.5 -5,-0.3 -2,-0.2 0.958 109.6 45.5 -68.8 -49.6 6.5 4.5 -0.4 101 352 A W H <>S+ 0 0 2 -4,-2.9 5,-2.6 1,-0.2 -2,-0.2 0.895 114.0 49.3 -58.8 -42.8 9.4 5.2 -2.8 102 353 A Y H ><5S+ 0 0 58 -4,-2.1 3,-2.1 1,-0.2 -1,-0.2 0.904 107.7 54.4 -63.7 -41.0 11.2 2.1 -1.6 103 354 A Q H 3<5S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.815 104.0 56.4 -62.4 -30.2 8.1 0.0 -2.0 104 355 A Q T 3<5S- 0 0 109 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.340 129.1 -99.9 -84.2 7.5 8.0 1.3 -5.6 105 356 A G T < 5S+ 0 0 40 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.520 71.1 151.2 89.0 6.5 11.5 -0.1 -6.1 106 357 A F < + 0 0 16 -5,-2.6 -1,-0.3 -6,-0.2 3,-0.1 -0.538 10.3 162.9 -75.5 136.3 13.5 3.1 -5.6 107 358 A R + 0 0 109 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.480 55.3 28.4-129.7 -9.3 17.0 2.6 -4.2 108 359 A S S > S- 0 0 38 1,-0.1 4,-1.9 -22,-0.0 -1,-0.2 -0.931 75.7-106.7-149.4 171.4 18.9 5.8 -4.9 109 360 A L H > S+ 0 0 42 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.801 120.2 60.3 -69.7 -27.6 18.7 9.6 -5.5 110 361 A E H > S+ 0 0 102 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.949 106.3 45.2 -61.8 -49.5 19.4 8.8 -9.1 111 362 A D H >>S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.8 0.866 113.9 50.4 -61.0 -39.6 16.2 6.8 -9.2 112 363 A I H X5S+ 0 0 0 -4,-1.9 4,-1.2 3,-0.2 -2,-0.2 0.936 109.2 51.3 -66.2 -45.5 14.3 9.5 -7.3 113 364 A R H <5S+ 0 0 148 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 120.7 31.4 -60.0 -43.0 15.5 12.2 -9.7 114 365 A S H <5S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.902 135.0 18.0 -85.6 -43.5 14.4 10.5 -12.8 115 366 A Q H <5S+ 0 0 128 -4,-2.3 2,-0.2 -5,-0.2 -3,-0.2 0.661 94.8 101.5-107.0 -17.7 11.3 8.4 -11.8 116 367 A A << - 0 0 17 -4,-1.2 2,-0.8 -5,-0.8 -4,-0.0 -0.480 66.5-129.8 -79.6 138.8 10.0 9.8 -8.6 117 368 A S - 0 0 108 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.745 38.0-167.0 -81.9 111.1 7.0 12.2 -8.4 118 369 A L - 0 0 51 -2,-0.8 2,-0.2 -5,-0.1 -5,-0.0 -0.767 19.7-129.3-108.7 150.6 8.2 15.0 -6.2 119 370 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.484 38.5-103.8 -84.6 163.3 6.5 17.9 -4.4 120 371 A T H > S+ 0 0 113 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.841 124.3 51.0 -56.8 -34.3 7.9 21.4 -5.0 121 372 A Q H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 110.4 47.4 -70.4 -41.7 9.6 21.2 -1.6 122 373 A Q H > S+ 0 0 10 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.846 106.7 57.7 -69.0 -33.9 11.2 17.8 -2.3 123 374 A A H X S+ 0 0 49 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.892 110.7 44.1 -62.8 -38.4 12.4 19.1 -5.6 124 375 A I H X S+ 0 0 16 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.903 112.6 51.7 -71.7 -42.3 14.2 21.9 -3.8 125 376 A G H < S+ 0 0 0 -4,-2.3 7,-0.2 -34,-0.4 3,-0.2 0.924 110.6 47.6 -60.2 -44.8 15.5 19.5 -1.1 126 377 A L H >< S+ 0 0 33 -4,-3.1 3,-1.4 1,-0.2 4,-0.2 0.896 107.3 58.2 -63.5 -38.1 16.9 17.1 -3.7 127 378 A K H 3< S+ 0 0 130 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 119.6 28.6 -59.8 -37.6 18.5 20.1 -5.5 128 379 A H T 3X S+ 0 0 6 -4,-1.7 4,-3.0 -3,-0.2 -1,-0.3 -0.005 80.3 138.0-113.0 28.1 20.4 21.0 -2.3 129 380 A Y T <4 S+ 0 0 29 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.872 79.0 36.8 -40.0 -56.2 20.7 17.5 -0.9 130 381 A S T >> S+ 0 0 79 -4,-0.2 3,-1.9 1,-0.2 4,-0.7 0.916 114.7 55.1 -67.2 -42.4 24.3 17.9 0.1 131 382 A D G >4 S+ 0 0 15 1,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.900 103.6 55.5 -57.7 -42.2 24.0 21.6 1.2 132 383 A F G 3< S+ 0 0 36 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.418 104.5 56.5 -72.8 3.7 21.1 20.7 3.6 133 384 A L G <4 S+ 0 0 93 -3,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.572 93.8 79.7-108.3 -13.7 23.4 18.2 5.3 134 385 A E << - 0 0 98 -3,-1.1 2,-0.3 -4,-0.7 0, 0.0 -0.541 68.9-137.6 -93.3 160.3 26.2 20.5 6.2 135 386 A R - 0 0 116 -2,-0.2 40,-0.3 101,-0.1 -2,-0.1 -0.786 17.0-134.4-110.9 156.1 26.4 22.9 9.1 136 387 A M E -A 174 0A 2 38,-3.4 38,-2.4 -2,-0.3 40,-0.1 -0.821 27.3-101.1-110.8 151.8 27.8 26.4 8.7 137 388 A P E >> -A 173 0A 63 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.447 35.6-118.1 -66.6 149.5 30.3 28.1 11.1 138 389 A R H 3> S+ 0 0 75 34,-3.0 4,-2.5 1,-0.3 5,-0.2 0.813 111.4 70.4 -59.3 -27.8 28.4 30.4 13.3 139 390 A E H 3> S+ 0 0 149 33,-0.3 4,-1.2 1,-0.3 -1,-0.3 0.867 103.2 42.8 -56.8 -35.9 30.4 33.3 11.9 140 391 A E H <> S+ 0 0 11 -3,-1.4 4,-1.5 2,-0.2 -1,-0.3 0.803 107.1 59.5 -79.9 -30.6 28.5 32.9 8.7 141 392 A A H X S+ 0 0 3 -4,-1.3 4,-2.4 1,-0.2 3,-0.3 0.911 104.4 53.1 -61.8 -38.8 25.2 32.4 10.5 142 393 A T H X S+ 0 0 41 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.910 104.9 53.6 -60.4 -44.9 25.9 35.9 11.9 143 394 A E H X S+ 0 0 75 -4,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.793 110.4 47.5 -62.7 -29.6 26.4 37.3 8.4 144 395 A I H X S+ 0 0 1 -4,-1.5 4,-1.7 -3,-0.3 -1,-0.2 0.895 113.0 46.2 -78.9 -42.4 23.0 35.9 7.4 145 396 A E H >X S+ 0 0 14 -4,-2.4 4,-3.4 2,-0.2 3,-0.9 0.982 113.0 51.0 -61.0 -54.5 21.2 37.2 10.4 146 397 A Q H 3X S+ 0 0 97 -4,-3.3 4,-2.0 1,-0.3 -1,-0.2 0.875 107.6 54.9 -47.9 -42.6 22.9 40.5 9.9 147 398 A T H 3X S+ 0 0 29 -4,-1.3 4,-1.2 -5,-0.2 -1,-0.3 0.844 113.9 38.8 -62.7 -36.9 21.7 40.4 6.3 148 399 A V H < S+ 0 0 1 -4,-1.8 3,-1.6 2,-0.2 4,-0.4 0.949 111.9 40.1 -79.0 -55.5 14.3 44.6 8.3 153 404 A Q H 3< S+ 0 0 80 -4,-2.3 3,-0.4 1,-0.3 -2,-0.2 0.670 96.8 88.3 -67.0 -14.7 15.3 47.8 10.0 154 405 A A T 3< S+ 0 0 72 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.693 106.6 18.4 -56.5 -21.0 15.7 49.0 6.4 155 406 A F S < S+ 0 0 74 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.308 138.4 29.8-132.9 4.8 12.0 50.0 6.6 156 407 A N > - 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0 0 65 4,-2.3 3,-1.8 -2,-0.3 -1,-0.0 -0.170 45.0 -83.2 -89.2-173.4 -9.5 14.7 29.1 289 540 A T T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.723 129.4 57.7 -63.1 -21.4 -8.3 11.3 30.2 290 541 A H T 3 S- 0 0 166 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.159 120.1-107.8 -96.6 17.8 -6.4 11.1 26.9 291 542 A G S < S+ 0 0 35 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.641 71.7 145.9 67.0 15.2 -4.4 14.2 27.6 292 543 A A - 0 0 44 1,-0.1 -4,-2.3 2,-0.0 2,-0.9 -0.708 57.6-113.4 -88.6 134.4 -6.4 16.2 25.0 293 544 A K E +H 287 0D 115 -2,-0.4 -6,-0.3 -6,-0.2 -1,-0.1 -0.536 41.1 168.7 -71.0 101.8 -7.0 19.8 25.7 294 545 A V E + 0 0 96 -8,-1.7 -7,-0.2 -2,-0.9 -1,-0.2 0.759 69.6 23.0 -84.1 -30.7 -10.8 20.1 26.2 295 546 A G E S-H 286 0D 15 -9,-2.4 -9,-2.8 1,-0.2 -1,-0.3 -0.996 74.5-138.7-140.4 131.9 -10.8 23.6 27.5 296 547 A P - 0 0 93 0, 0.0 -10,-1.1 0, 0.0 2,-0.3 0.665 28.5-164.9 -59.4-128.7 -8.2 26.4 27.0 297 548 A G - 0 0 39 -12,-0.2 2,-0.5 -23,-0.0 -13,-0.2 -0.989 29.6 -34.8 169.0-164.7 -7.3 28.6 29.9 298 549 A R E -G 283 0C 160 -15,-2.0 -15,-2.1 -2,-0.3 2,-1.2 -0.746 47.0-135.2 -90.4 128.3 -5.7 31.7 31.2 299 550 A V E -G 282 0C 93 -2,-0.5 -17,-0.3 -17,-0.2 3,-0.1 -0.691 24.1-141.9 -84.2 96.4 -2.6 33.0 29.4 300 551 A L E -G 281 0C 33 -19,-1.4 -19,-0.5 -2,-1.2 2,-0.2 -0.215 24.9-104.8 -54.7 142.4 -0.2 33.9 32.2 301 552 A P + 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -54,-0.1 -0.546 43.9 172.8 -74.0 136.7 1.8 37.0 31.4 302 553 A T + 0 0 10 -56,-0.3 -52,-0.4 -2,-0.2 -53,-0.4 -0.621 14.9 162.9-147.4 82.6 5.4 36.3 30.5 303 554 A P S S+ 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.481 73.3 35.4 -78.3 -3.8 7.6 39.2 29.2 304 555 A T S >> S- 0 0 48 1,-0.1 4,-1.1 -56,-0.0 3,-0.7 -0.996 80.5-118.7-149.1 151.2 10.8 37.3 29.9 305 556 A E H >> S+ 0 0 10 -2,-0.3 4,-1.9 1,-0.3 3,-0.8 0.896 114.4 62.9 -53.7 -41.5 12.1 33.7 29.6 306 557 A K H 3> S+ 0 0 104 1,-0.3 4,-3.7 2,-0.2 -1,-0.3 0.899 96.1 58.5 -50.8 -44.8 12.8 33.8 33.4 307 558 A D H <> S+ 0 0 29 -3,-0.7 4,-3.5 1,-0.2 -1,-0.3 0.888 105.5 50.4 -53.1 -41.6 9.0 34.4 33.9 308 559 A V H S+ 0 0 1 -4,-1.9 5,-3.9 2,-0.2 -2,-0.2 0.951 116.9 50.8 -59.6 -47.3 10.9 29.1 34.2 310 561 A R H ><5S+ 0 0 147 -4,-3.7 3,-2.1 1,-0.2 -2,-0.2 0.948 110.4 46.4 -53.7 -56.6 9.6 30.9 37.3 311 562 A L H 3<5S+ 0 0 47 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 112.0 52.7 -59.0 -31.1 6.0 30.1 36.6 312 563 A L T 3<5S- 0 0 0 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.228 118.4-111.9 -89.1 13.7 6.9 26.5 35.9 313 564 A G T < 5S+ 0 0 57 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.863 76.7 133.2 58.6 35.6 8.7 26.3 39.2 314 565 A L < - 0 0 55 -5,-3.9 2,-0.3 -6,-0.2 -1,-0.2 -0.946 60.6-118.8-123.2 141.8 12.0 26.0 37.3 315 566 A P - 0 0 100 0, 0.0 -9,-0.0 0, 0.0 -5,-0.0 -0.606 45.7 -98.4 -77.5 129.3 15.3 27.7 37.8 316 567 A Y - 0 0 84 -2,-0.3 2,-0.4 -10,-0.1 -10,-0.1 0.015 38.5-158.5 -42.9 151.2 16.3 29.8 34.7 317 568 A R - 0 0 117 -3,-0.1 -1,-0.1 5,-0.0 -8,-0.0 -0.964 17.1-120.2-142.3 121.0 18.8 28.1 32.4 318 569 A E > - 0 0 116 -2,-0.4 3,-1.8 1,-0.1 -149,-0.0 -0.120 34.8-102.4 -55.4 155.1 21.0 29.9 29.9 319 570 A P G > S+ 0 0 13 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.769 125.5 55.1 -51.4 -27.1 20.6 29.1 26.2 320 571 A A G > S+ 0 0 68 1,-0.2 3,-0.7 2,-0.2 -151,-0.1 0.744 100.4 57.5 -79.3 -24.4 23.8 27.0 26.5 321 572 A E G < S+ 0 0 44 -3,-1.8 -1,-0.2 1,-0.2 -3,-0.1 0.162 98.8 64.5 -90.0 18.9 22.3 25.0 29.3 322 573 A R G < + 0 0 0 -3,-0.8 2,-3.1 -153,-0.1 -61,-0.2 0.458 65.3 109.2-114.8 -10.4 19.5 24.1 26.9 323 574 A D < 0 0 66 -3,-0.7 -1,-0.1 1,-0.2 -3,-0.1 -0.338 360.0 360.0 -68.7 65.8 21.6 22.2 24.5 324 575 A W 0 0 88 -2,-3.1 -1,-0.2 -3,-0.0 -64,-0.1 0.447 360.0 360.0-147.1 360.0 20.2 18.8 25.5