==== 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 2PFO . COMPND 2 MOLECULE: TEMPLATE; . SOURCE 2 MOL_ID: 2; . AUTHOR M.GARCIA-DIAZ,K.BEBENEK,J.M.KRAHN,L.C.PEDERSEN,T.A.KUNKEL . 323 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 68.1 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 . 31 9.6 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 0 2 2 2 1 0 1 1 2 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 . 1 2 1 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 . 1 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 1 253 A N 0 0 97 0, 0.0 2,-0.3 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 -28.2 30.9 10.1 28.2 2 254 A L - 0 0 37 38,-0.1 4,-0.2 37,-0.0 33,-0.0 -0.994 360.0-155.3-147.5 153.5 30.1 6.6 27.0 3 255 A H S S+ 0 0 71 -2,-0.3 4,-0.0 2,-0.1 -1,-0.0 0.014 84.5 76.9-117.5 27.1 30.5 4.3 24.0 4 256 A I S > S+ 0 0 18 2,-0.1 4,-1.3 3,-0.1 3,-0.4 0.553 88.2 64.9-103.7 -17.6 27.6 2.0 24.4 5 257 A T H > S+ 0 0 23 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.817 89.0 63.6 -72.8 -33.8 25.4 4.8 23.0 6 258 A E H > S+ 0 0 139 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.762 106.7 47.0 -62.6 -23.0 27.1 4.7 19.6 7 259 A K H > S+ 0 0 20 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.852 114.0 44.8 -85.0 -38.8 25.7 1.2 19.3 8 260 A L H X S+ 0 0 4 -4,-1.3 4,-3.3 1,-0.2 -2,-0.2 0.843 103.8 64.6 -72.9 -33.8 22.2 2.2 20.5 9 261 A E H X S+ 0 0 97 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.862 98.8 55.4 -57.5 -34.7 22.2 5.2 18.2 10 262 A V H X S+ 0 0 74 -4,-0.5 4,-1.5 -5,-0.2 -1,-0.2 0.920 111.5 42.5 -65.0 -43.3 22.4 2.8 15.3 11 263 A L H X S+ 0 0 3 -4,-1.0 4,-2.6 2,-0.2 5,-0.3 0.918 110.8 55.8 -68.5 -43.8 19.3 1.0 16.5 12 264 A A H X S+ 0 0 7 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.921 110.3 45.3 -55.2 -45.8 17.5 4.3 17.3 13 265 A K H X S+ 0 0 30 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.837 110.1 55.7 -68.4 -31.9 18.0 5.6 13.8 14 266 A A H X S+ 0 0 2 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.938 111.9 41.2 -66.4 -46.6 16.9 2.2 12.3 15 267 A Y H X>S+ 0 0 30 -4,-2.6 5,-1.9 2,-0.2 4,-0.5 0.894 114.9 54.2 -67.8 -38.2 13.6 2.3 14.1 16 268 A S H ><5S+ 0 0 66 -4,-2.2 3,-1.6 -5,-0.3 -2,-0.2 0.965 109.9 43.8 -60.7 -53.2 13.2 6.0 13.4 17 269 A V H 3<5S+ 0 0 15 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.769 111.2 56.5 -66.0 -23.2 13.6 5.6 9.6 18 270 A Q H 3<5S- 0 0 70 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.535 119.7-109.4 -84.0 -5.1 11.4 2.6 9.6 19 271 A G T <<5S+ 0 0 32 -3,-1.6 2,-2.5 -4,-0.5 3,-0.2 0.387 79.3 130.1 97.0 -5.8 8.5 4.6 11.2 20 272 A D >< + 0 0 61 -5,-1.9 4,-2.2 1,-0.2 5,-0.2 -0.422 29.0 165.0 -80.6 67.1 8.6 3.0 14.7 21 273 A K H > + 0 0 132 -2,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.786 64.0 51.2 -57.7 -36.8 8.7 6.5 16.3 22 274 A W H > S+ 0 0 164 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.916 112.2 45.4 -71.5 -41.2 7.8 5.6 19.9 23 275 A R H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.920 114.1 51.1 -65.1 -41.5 10.4 2.8 20.2 24 276 A A H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.882 107.3 53.3 -61.5 -38.8 12.9 5.2 18.6 25 277 A L H X S+ 0 0 26 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.877 106.1 54.1 -63.7 -37.1 11.8 7.9 21.1 26 278 A G H X S+ 0 0 34 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.894 111.1 44.0 -64.2 -40.5 12.6 5.3 23.9 27 279 A Y H X S+ 0 0 11 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.893 110.0 56.2 -70.7 -40.3 16.1 4.8 22.5 28 280 A A H X S+ 0 0 21 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 110.4 44.7 -56.9 -45.4 16.7 8.5 22.1 29 281 A K H X S+ 0 0 117 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.883 111.1 52.5 -67.5 -39.8 15.9 9.1 25.7 30 282 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.875 113.0 46.7 -63.1 -36.3 18.0 6.2 26.9 31 283 A I H X S+ 0 0 14 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.888 109.2 51.3 -73.9 -40.5 20.9 7.7 24.9 32 284 A N H < S+ 0 0 56 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.830 112.1 50.7 -65.6 -29.7 20.4 11.3 26.1 33 285 A A H >< S+ 0 0 27 -4,-1.8 3,-2.4 -5,-0.2 4,-0.5 0.988 110.8 45.4 -69.0 -61.2 20.5 9.9 29.6 34 286 A L H >< S+ 0 0 16 -4,-2.2 3,-3.3 1,-0.3 -2,-0.2 0.930 108.9 55.4 -46.1 -58.0 23.6 7.9 29.2 35 287 A K T 3< S+ 0 0 61 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.633 107.4 54.2 -53.3 -12.7 25.5 10.7 27.5 36 288 A S T < S+ 0 0 86 -3,-2.4 2,-0.4 -4,-0.2 -1,-0.3 0.466 90.8 88.6-100.8 -5.6 24.5 12.7 30.6 37 289 A F < - 0 0 42 -3,-3.3 4,-0.1 -4,-0.5 -4,-0.0 -0.816 56.1-165.0 -97.8 133.2 26.1 10.3 33.1 38 290 A H S S+ 0 0 93 -2,-0.4 -1,-0.2 1,-0.2 -4,-0.0 0.940 75.6 67.0 -79.5 -52.3 29.7 10.7 34.1 39 291 A K S S- 0 0 83 1,-0.1 -1,-0.2 -37,-0.0 3,-0.1 -0.597 93.8-123.3 -75.7 99.7 30.4 7.3 35.7 40 292 A P - 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.163 35.8-103.3 -45.6 122.0 30.1 4.8 32.9 41 293 A V + 0 0 31 1,-0.1 3,-0.1 -4,-0.1 6,-0.1 -0.063 49.0 164.1 -47.4 148.0 27.5 2.2 33.9 42 294 A T + 0 0 120 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.538 53.1 54.2-137.6 -38.6 28.8 -1.1 35.1 43 295 A S S > S- 0 0 51 1,-0.1 4,-0.8 4,-0.0 -1,-0.3 -0.791 76.9-122.2-109.5 150.9 26.1 -3.0 36.9 44 296 A Y H >> S+ 0 0 122 -2,-0.3 4,-2.1 1,-0.3 3,-0.9 0.889 119.6 51.0 -50.9 -41.1 22.6 -4.0 35.8 45 297 A Q H 3> S+ 0 0 72 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.933 101.9 57.7 -62.8 -47.8 21.5 -2.0 38.9 46 298 A E H 34 S+ 0 0 44 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.636 112.0 48.0 -58.7 -11.4 23.5 1.0 37.9 47 299 A A H X< S+ 0 0 6 -3,-0.9 3,-1.1 -4,-0.8 -2,-0.2 0.914 109.1 43.2 -91.7 -70.7 21.4 0.8 34.7 48 300 A C H 3< S+ 0 0 52 -4,-2.1 5,-0.3 1,-0.3 4,-0.2 0.841 106.4 67.6 -44.3 -40.7 17.8 0.4 35.7 49 301 A S T 3< S+ 0 0 93 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 0.918 84.1 82.4 -47.0 -54.4 18.4 3.1 38.4 50 302 A I S X S- 0 0 29 -3,-1.1 3,-1.3 -4,-0.4 2,-0.6 -0.238 92.8-112.4 -56.2 137.0 18.9 5.8 35.7 51 303 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.629 103.5 35.8 -76.8 118.9 15.6 7.2 34.4 52 304 A G T 3 S+ 0 0 44 -2,-0.6 2,-0.4 -4,-0.2 -19,-0.1 0.398 98.4 93.4 117.8 4.6 15.1 6.2 30.8 53 305 A I < + 0 0 16 -3,-1.3 -1,-0.2 -5,-0.3 2,-0.1 -0.963 48.0 167.4-132.8 114.3 16.6 2.8 31.2 54 306 A G > - 0 0 39 -2,-0.4 4,-2.8 -3,-0.1 5,-0.2 -0.279 54.8 -72.0-109.0-162.6 14.5 -0.2 31.9 55 307 A K H > S+ 0 0 48 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.970 129.4 48.6 -56.5 -58.8 15.0 -4.0 31.9 56 308 A R H > S+ 0 0 149 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.873 117.3 40.9 -49.4 -48.0 15.1 -4.3 28.1 57 309 A M H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 113.3 53.8 -72.3 -38.0 17.5 -1.4 27.7 58 310 A A H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.914 104.8 54.9 -62.1 -43.2 19.7 -2.5 30.6 59 311 A E H X S+ 0 0 102 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.862 110.4 47.2 -57.6 -37.9 20.0 -6.0 29.2 60 312 A K H X S+ 0 0 31 -4,-1.1 4,-1.4 -5,-0.2 -2,-0.2 0.930 107.3 53.6 -70.8 -47.9 21.4 -4.4 26.0 61 313 A I H X S+ 0 0 19 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.840 107.4 55.4 -56.2 -33.4 23.8 -2.1 27.7 62 314 A I H >X S+ 0 0 30 -4,-1.9 4,-2.7 1,-0.2 3,-2.3 0.952 101.1 54.4 -64.8 -52.2 25.2 -5.2 29.4 63 315 A E H 3X>S+ 0 0 59 -4,-1.5 4,-1.5 1,-0.3 6,-0.9 0.806 103.3 59.1 -52.5 -30.9 25.9 -7.1 26.3 64 316 A I H 3<5S+ 0 0 23 -4,-1.4 -1,-0.3 4,-0.2 -2,-0.2 0.734 113.2 38.0 -71.5 -21.9 27.9 -4.1 25.1 65 317 A L H <<5S+ 0 0 102 -3,-2.3 -2,-0.2 -4,-0.5 -1,-0.2 0.852 122.1 38.5 -95.8 -43.1 30.2 -4.5 28.2 66 318 A E H <5S+ 0 0 170 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.637 137.8 19.0 -83.4 -14.9 30.5 -8.3 28.5 67 319 A S T <5S- 0 0 84 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.1 0.587 87.8-137.5-125.0 -26.9 30.7 -8.8 24.7 68 320 A G S - 0 0 6 -2,-0.3 3,-1.1 1,-0.2 4,-0.1 -0.744 14.7-151.4 -87.4 119.6 25.3 -5.8 20.4 71 323 A R G > S+ 0 0 44 -2,-0.6 3,-3.2 1,-0.2 4,-0.3 0.918 89.5 62.6 -53.4 -55.7 23.9 -8.8 18.6 72 324 A K G > S+ 0 0 86 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.717 87.1 75.4 -46.0 -27.3 20.7 -7.2 17.2 73 325 A L G < S+ 0 0 41 -3,-1.1 3,-0.4 1,-0.3 -1,-0.3 0.642 92.2 55.7 -62.5 -13.2 22.9 -4.8 15.2 74 326 A D G < S+ 0 0 104 -3,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.529 102.3 56.1 -95.0 -9.0 23.5 -7.8 12.9 75 327 A H S < S+ 0 0 163 -3,-2.0 2,-0.4 -4,-0.3 -1,-0.2 -0.022 73.6 129.1-113.0 29.8 19.8 -8.3 12.3 76 328 A I - 0 0 48 -3,-0.4 -3,-0.0 1,-0.1 -65,-0.0 -0.736 68.5 -99.9 -88.9 129.9 18.9 -4.8 11.0 77 329 A S > - 0 0 54 -2,-0.4 3,-1.9 1,-0.2 -1,-0.1 -0.136 19.6-130.5 -49.7 136.3 17.0 -4.8 7.7 78 330 A E T 3 S+ 0 0 171 1,-0.3 4,-0.5 2,-0.1 -1,-0.2 0.574 104.7 72.3 -64.3 -9.3 19.1 -4.1 4.6 79 331 A S T 3> S+ 0 0 14 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.728 76.1 80.4 -79.3 -22.3 16.4 -1.6 3.8 80 332 A V H <> S+ 0 0 13 -3,-1.9 4,-3.0 1,-0.2 5,-0.3 0.907 87.6 50.9 -52.8 -53.4 17.5 0.8 6.6 81 333 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.888 115.5 44.3 -54.7 -39.4 20.4 2.5 4.8 82 334 A V H > S+ 0 0 22 -4,-0.5 4,-2.6 -3,-0.3 -2,-0.2 0.874 111.9 51.9 -72.2 -37.5 18.2 3.2 1.8 83 335 A L H X S+ 0 0 9 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.892 112.5 46.8 -65.2 -38.2 15.3 4.4 4.0 84 336 A E H X S+ 0 0 85 -4,-3.0 4,-1.1 -5,-0.2 -2,-0.2 0.926 109.9 53.1 -67.6 -45.8 17.8 6.8 5.7 85 337 A L H >< S+ 0 0 49 -4,-2.4 3,-0.5 -5,-0.3 -2,-0.2 0.932 114.8 42.0 -53.5 -49.6 19.1 7.9 2.3 86 338 A F H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.897 111.6 52.0 -67.6 -45.0 15.6 8.7 1.2 87 339 A S H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.597 95.5 72.0 -71.5 -8.0 14.3 10.3 4.4 88 340 A N T << S+ 0 0 63 -4,-1.1 2,-0.6 -3,-0.5 -1,-0.3 0.465 75.5 97.5 -82.8 -2.0 17.4 12.6 4.4 89 341 A I S X S- 0 0 1 -3,-1.7 3,-2.2 3,-0.2 2,-0.2 -0.786 90.9-113.3 -84.0 124.3 15.7 14.4 1.4 90 342 A W T 3 S+ 0 0 69 -2,-0.6 34,-0.4 1,-0.3 35,-0.2 -0.396 102.8 25.8 -60.8 126.7 13.9 17.5 2.9 91 343 A G T 3 S+ 0 0 33 1,-0.2 2,-0.5 -4,-0.2 -1,-0.3 0.269 101.2 97.0 103.3 -13.0 10.2 17.0 2.6 92 344 A A < + 0 0 6 -3,-2.2 -1,-0.2 -5,-0.2 -3,-0.2 -0.955 50.6 175.8-113.8 121.4 10.3 13.2 2.5 93 345 A G > - 0 0 38 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.277 51.8 -67.8-106.8-162.9 9.6 11.4 5.8 94 346 A T H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.872 129.0 53.7 -57.9 -42.0 9.3 7.7 6.7 95 347 A K H > S+ 0 0 164 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 112.3 43.2 -60.0 -48.6 6.1 7.2 4.8 96 348 A T H > S+ 0 0 34 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 113.2 52.1 -64.6 -42.5 7.5 8.5 1.5 97 349 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.908 110.4 48.1 -61.0 -43.2 10.8 6.6 2.0 98 350 A Q H X S+ 0 0 72 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.861 111.6 50.6 -65.8 -36.5 9.0 3.3 2.6 99 351 A M H X S+ 0 0 94 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.940 110.6 48.1 -67.4 -47.4 6.7 3.9 -0.5 100 352 A W H <>S+ 0 0 1 -4,-2.6 5,-2.3 1,-0.2 -2,-0.2 0.894 112.2 50.0 -59.4 -39.7 9.7 4.6 -2.7 101 353 A Y H ><5S+ 0 0 47 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.939 108.8 51.0 -64.2 -46.0 11.5 1.5 -1.4 102 354 A Q H 3<5S+ 0 0 161 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.830 104.5 59.6 -59.9 -32.3 8.4 -0.6 -2.0 103 355 A Q T 3<5S- 0 0 107 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.486 126.3-103.1 -75.4 -3.2 8.4 0.8 -5.5 104 356 A G T < 5S+ 0 0 39 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.391 71.7 146.6 98.5 -3.8 11.9 -0.6 -6.0 105 357 A F < + 0 0 13 -5,-2.3 -1,-0.3 -6,-0.2 3,-0.1 -0.460 11.8 162.1 -71.1 137.9 13.9 2.6 -5.6 106 358 A R + 0 0 107 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.445 57.1 33.0-133.1 -9.0 17.3 2.1 -4.0 107 359 A S S > S- 0 0 41 1,-0.1 4,-1.7 -22,-0.0 -1,-0.2 -0.920 79.0-106.9-145.1 170.3 19.3 5.3 -4.8 108 360 A L H > S+ 0 0 38 -2,-0.3 4,-3.1 2,-0.2 5,-0.2 0.750 118.8 61.3 -72.1 -22.0 19.0 9.0 -5.4 109 361 A E H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.937 104.9 48.9 -66.4 -43.9 19.6 8.4 -9.1 110 362 A D H >>S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 5,-0.7 0.913 113.3 46.5 -58.3 -45.9 16.4 6.2 -9.0 111 363 A I H X5S+ 0 0 0 -4,-1.7 4,-1.6 3,-0.2 -2,-0.2 0.964 111.3 51.9 -62.1 -52.3 14.5 9.0 -7.2 112 364 A R H <5S+ 0 0 149 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 122.1 29.5 -51.9 -46.7 15.8 11.7 -9.6 113 365 A S H <5S+ 0 0 60 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.764 134.4 21.8 -90.8 -24.6 14.7 9.8 -12.7 114 366 A Q H <5S+ 0 0 126 -4,-2.8 -3,-0.2 -5,-0.3 2,-0.2 0.686 96.1 86.0-119.0 -22.3 11.7 7.8 -11.6 115 367 A A S < - 0 0 71 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.411 41.1-100.5 -78.5 168.7 6.6 17.3 -4.4 119 371 A T H > S+ 0 0 116 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.885 124.6 49.8 -58.7 -38.7 7.9 20.9 -4.9 120 372 A Q H > S+ 0 0 67 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.931 109.5 49.9 -65.9 -47.0 9.6 20.7 -1.5 121 373 A Q H > S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.859 105.8 56.5 -61.2 -38.2 11.3 17.3 -2.2 122 374 A A H X S+ 0 0 46 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.884 111.5 43.9 -62.0 -37.6 12.6 18.5 -5.5 123 375 A I H X S+ 0 0 17 -4,-1.3 4,-1.9 -3,-0.2 -2,-0.2 0.908 112.1 53.3 -72.3 -41.0 14.4 21.4 -3.7 124 376 A G H < S+ 0 0 1 -4,-2.7 7,-0.2 -34,-0.4 -2,-0.2 0.896 111.2 45.7 -60.0 -40.5 15.5 19.0 -1.0 125 377 A L H >< S+ 0 0 30 -4,-2.9 3,-2.2 1,-0.2 4,-0.3 0.932 106.9 57.8 -69.7 -43.4 17.1 16.7 -3.5 126 378 A K H 3< S+ 0 0 129 -4,-2.1 3,-0.2 1,-0.3 -1,-0.2 0.880 119.1 32.2 -53.3 -38.7 18.7 19.6 -5.4 127 379 A H T 3X S+ 0 0 6 -4,-1.9 4,-2.8 1,-0.2 -1,-0.3 -0.041 80.5 134.2-108.5 29.8 20.5 20.6 -2.2 128 380 A Y T <4 S+ 0 0 33 -3,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.900 78.5 36.6 -46.3 -53.6 20.8 17.0 -0.8 129 381 A S T >> S+ 0 0 87 -4,-0.3 3,-1.7 -3,-0.2 4,-0.7 0.947 114.9 54.8 -67.9 -47.4 24.5 17.5 0.2 130 382 A D G >4 S+ 0 0 14 1,-0.3 3,-1.5 2,-0.2 -2,-0.2 0.916 105.7 52.8 -51.3 -47.9 24.2 21.1 1.3 131 383 A F G 3< S+ 0 0 38 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.595 105.4 55.0 -67.9 -10.6 21.4 20.3 3.7 132 384 A L G <4 S+ 0 0 89 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.3 0.531 93.1 86.8 -97.6 -8.3 23.4 17.6 5.4 133 385 A E S << S- 0 0 104 -3,-1.5 2,-0.4 -4,-0.7 0, 0.0 -0.698 70.2-141.6 -92.7 144.1 26.3 19.9 6.1 134 386 A R - 0 0 124 -2,-0.3 40,-0.3 101,-0.1 -2,-0.1 -0.831 19.2-133.1-101.9 142.5 26.4 22.0 9.3 135 387 A M E -A 173 0A 1 38,-3.3 38,-2.9 -2,-0.4 2,-0.2 -0.626 24.2-100.6 -96.0 155.2 27.8 25.5 8.9 136 388 A P E >> -A 172 0A 55 0, 0.0 3,-1.9 0, 0.0 4,-1.3 -0.522 36.1-117.6 -70.4 141.8 30.4 27.2 11.2 137 389 A R H 3> S+ 0 0 59 34,-3.2 4,-1.9 1,-0.3 35,-0.1 0.778 113.1 68.0 -52.7 -26.7 28.6 29.5 13.7 138 390 A E H 3> S+ 0 0 123 33,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.898 101.6 46.5 -59.4 -39.4 30.5 32.4 12.2 139 391 A E H <> S+ 0 0 16 -3,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.876 106.0 58.3 -70.4 -36.8 28.6 31.9 8.9 140 392 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.879 103.6 55.1 -59.4 -36.4 25.3 31.6 10.9 141 393 A T H X S+ 0 0 49 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.951 105.0 50.2 -60.8 -51.4 26.1 35.1 12.2 142 394 A E H X S+ 0 0 85 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.840 113.0 48.1 -56.8 -35.8 26.5 36.6 8.7 143 395 A I H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.914 111.4 47.5 -72.2 -44.3 23.1 35.1 7.8 144 396 A E H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.879 114.3 50.2 -63.0 -36.0 21.3 36.3 10.9 145 397 A Q H X S+ 0 0 96 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.842 106.8 53.6 -70.2 -35.5 22.9 39.7 10.2 146 398 A T H X S+ 0 0 28 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.874 114.1 41.8 -68.1 -36.4 21.8 39.7 6.6 147 399 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.927 114.5 50.9 -75.2 -45.0 18.2 39.1 7.7 148 400 A Q H X S+ 0 0 40 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.871 110.7 49.4 -60.3 -39.1 18.4 41.5 10.5 149 401 A K H X S+ 0 0 62 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.884 111.5 48.6 -68.4 -38.2 19.8 44.3 8.2 150 402 A A H < S+ 0 0 6 -4,-1.4 4,-0.5 -5,-0.2 -2,-0.2 0.840 115.9 44.8 -70.1 -32.7 17.0 43.6 5.7 151 403 A A H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.938 112.7 47.3 -76.6 -50.1 14.3 43.8 8.4 152 404 A Q H >< S+ 0 0 73 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.666 95.8 79.9 -66.6 -15.2 15.6 46.8 10.3 153 405 A A T 3< S+ 0 0 81 -4,-0.9 -1,-0.2 1,-0.2 3,-0.2 0.873 105.1 28.3 -60.5 -40.2 15.9 48.6 6.9 154 406 A F T < S+ 0 0 90 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.297 140.7 19.1-104.8 9.2 12.2 49.4 6.8 155 407 A N X - 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0 0 76 4,-2.7 3,-1.2 -2,-0.3 6,-0.0 -0.235 45.6 -83.4 -98.5-170.1 -9.4 14.0 28.7 288 540 A T T 3 S+ 0 0 127 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.728 124.0 62.7 -68.2 -22.3 -8.1 10.5 29.5 289 541 A H T 3 S- 0 0 157 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.113 117.6-109.0 -90.5 21.3 -6.1 10.4 26.3 290 542 A G S < S+ 0 0 32 -3,-1.2 2,-0.4 1,-0.2 -2,-0.1 0.547 75.6 143.1 64.2 4.7 -4.0 13.4 27.3 291 543 A A - 0 0 45 1,-0.1 -4,-2.7 2,-0.0 2,-0.3 -0.636 56.5-115.0 -82.2 131.4 -5.9 15.3 24.7 292 544 A K B +H 286 0D 112 -2,-0.4 -6,-0.3 -6,-0.2 -1,-0.1 -0.466 43.0 160.4 -67.9 126.0 -6.8 18.9 25.5 293 545 A V + 0 0 77 -8,-2.5 -7,-0.3 -2,-0.3 -1,-0.2 0.528 64.7 53.4-118.1 -20.2 -10.5 19.6 25.8 294 546 A G - 0 0 7 -9,-3.7 -9,-0.3 1,-0.1 -1,-0.2 -0.957 69.2-145.5-121.5 139.4 -10.4 22.8 27.8 295 547 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.975 31.3-169.7 -65.7 -59.7 -8.4 26.0 26.9 296 548 A G - 0 0 32 -13,-0.1 2,-0.3 -12,-0.1 -13,-0.2 -0.375 32.2 -52.2 93.5-177.2 -7.3 27.3 30.3 297 549 A R E -G 282 0C 156 -15,-2.6 -15,-2.4 -2,-0.1 2,-0.4 -0.775 44.2-125.0-102.3 144.5 -5.8 30.6 31.2 298 550 A V E -G 281 0C 103 -2,-0.3 -17,-0.2 -17,-0.2 -2,-0.0 -0.724 28.6-142.6 -83.7 131.8 -2.7 32.2 29.6 299 551 A L - 0 0 29 -19,-3.1 -19,-0.5 -2,-0.4 2,-0.3 -0.720 23.5-101.4 -96.0 146.9 -0.1 33.0 32.3 300 552 A P + 0 0 106 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.516 46.1 167.7 -69.1 125.7 2.0 36.1 32.1 301 553 A T + 0 0 15 -2,-0.3 -53,-0.5 -56,-0.3 -52,-0.3 -0.633 11.8 160.3-140.1 78.4 5.5 35.3 30.9 302 554 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.707 73.3 29.3 -71.7 -18.4 7.5 38.4 29.9 303 555 A T S > S- 0 0 63 -3,-0.1 4,-1.2 1,-0.1 3,-0.3 -0.943 80.5-114.6-139.5 161.8 10.8 36.4 30.2 304 556 A E H > S+ 0 0 13 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.874 116.3 60.5 -60.9 -37.9 12.1 32.8 29.8 305 557 A K H > S+ 0 0 127 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.895 98.7 58.1 -57.4 -39.5 12.8 32.8 33.6 306 558 A D H > S+ 0 0 26 -3,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.916 104.8 50.1 -57.1 -43.7 9.1 33.3 34.2 307 559 A V H X S+ 0 0 0 -4,-1.2 4,-1.5 -3,-0.2 -2,-0.2 0.956 113.5 44.1 -60.9 -51.2 8.3 30.2 32.3 308 560 A F H <>S+ 0 0 1 -4,-2.1 5,-2.4 1,-0.2 3,-0.3 0.937 115.4 50.6 -57.0 -47.3 10.8 28.1 34.2 309 561 A R H ><5S+ 0 0 145 -4,-3.3 3,-1.9 1,-0.2 -2,-0.2 0.917 107.1 51.0 -56.7 -51.3 9.6 29.7 37.5 310 562 A L H 3<5S+ 0 0 50 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 111.2 50.4 -60.1 -27.6 5.9 29.1 36.8 311 563 A L T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.421 118.8-113.5 -90.0 0.6 6.8 25.4 36.2 312 564 A G T < 5S+ 0 0 63 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.908 72.8 130.8 69.3 42.8 8.8 25.3 39.4 313 565 A L < - 0 0 56 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.952 62.6-110.4-129.5 147.4 12.1 24.8 37.8 314 566 A P - 0 0 102 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 -0.520 48.7 -99.6 -72.9 142.3 15.5 26.5 38.2 315 567 A Y - 0 0 68 -2,-0.2 2,-0.4 1,-0.0 -10,-0.1 -0.385 37.3-153.7 -65.4 138.2 16.4 28.7 35.1 316 568 A R - 0 0 92 -2,-0.1 5,-0.1 -3,-0.1 -8,-0.1 -0.930 14.8-121.8-116.7 137.1 18.8 27.1 32.6 317 569 A E > - 0 0 120 -2,-0.4 3,-2.4 1,-0.1 4,-0.3 -0.405 33.6-107.1 -70.6 150.8 21.1 29.0 30.3 318 570 A P G > S+ 0 0 17 0, 0.0 3,-2.5 0, 0.0 -150,-0.2 0.898 122.0 55.5 -45.1 -48.3 20.6 28.3 26.6 319 571 A A G > S+ 0 0 69 1,-0.3 3,-0.6 -152,-0.2 -151,-0.1 0.700 103.5 56.7 -60.8 -18.9 23.8 26.3 26.5 320 572 A E G < S+ 0 0 40 -3,-2.4 -1,-0.3 1,-0.2 -3,-0.1 0.347 97.2 63.2 -93.8 5.5 22.4 24.1 29.3 321 573 A R G < + 0 0 0 -3,-2.5 2,-2.4 -4,-0.3 -61,-0.2 0.256 65.3 122.1-109.3 7.6 19.3 23.2 27.2 322 574 A D < 0 0 54 -3,-0.6 -1,-0.1 1,-0.2 -65,-0.1 -0.427 360.0 360.0 -74.2 72.0 21.3 21.4 24.6 323 575 A W 0 0 125 -2,-2.4 -1,-0.2 0, 0.0 -67,-0.0 0.881 360.0 360.0 -94.6 360.0 19.6 18.1 24.9