==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-OCT-04 1XSP . COMPND 2 MOLECULE: 5'-D(*CP*GP*GP*CP*CP*GP*TP*AP*CP*TP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.GARCIA-DIAZ,K.BEBENEK,J.M.KRAHN,T.A.KUNKEL,L.C.PEDERSEN . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 13 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 4 0 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 1 249 A A 0 0 162 0, 0.0 2,-0.2 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 83.3 30.2 17.0 27.5 2 250 A T - 0 0 52 37,-0.3 2,-1.3 39,-0.2 3,-0.0 -0.639 360.0-158.4-148.8 85.5 31.8 13.6 28.3 3 251 A N > + 0 0 64 1,-0.2 3,-0.6 -2,-0.2 36,-0.1 -0.493 17.1 173.1 -68.0 95.5 30.6 10.6 26.4 4 252 A H T 3 S+ 0 0 78 -2,-1.3 -1,-0.2 35,-0.6 35,-0.1 0.336 77.2 38.8 -86.6 7.4 31.6 7.8 28.8 5 253 A N T >> + 0 0 11 39,-0.1 4,-2.2 36,-0.1 3,-2.1 0.062 64.5 137.3-146.0 30.5 29.8 5.2 26.7 6 254 A L H <> S+ 0 0 90 -3,-0.6 4,-2.1 1,-0.3 5,-0.2 0.836 71.6 63.2 -47.7 -40.3 30.3 6.0 23.0 7 255 A H H 34 S+ 0 0 110 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.787 113.4 33.6 -59.6 -27.8 31.0 2.4 22.2 8 256 A I H X> S+ 0 0 3 -3,-2.1 4,-1.9 2,-0.2 3,-1.1 0.900 116.8 49.3 -93.2 -52.4 27.4 1.5 23.3 9 257 A T H 3X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.3 5,-0.2 0.799 105.1 65.6 -57.0 -26.6 25.4 4.5 22.3 10 258 A E H 3X S+ 0 0 101 -4,-2.1 4,-0.7 -5,-0.4 -1,-0.3 0.886 107.0 37.8 -62.6 -41.5 27.1 4.2 19.0 11 259 A K H <> S+ 0 0 47 -3,-1.1 4,-1.0 -4,-0.4 -1,-0.2 0.753 116.6 53.5 -81.8 -25.9 25.4 0.9 18.3 12 260 A L H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.888 102.3 56.3 -75.1 -41.5 22.1 2.0 19.9 13 261 A E H X S+ 0 0 78 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.846 104.0 55.7 -59.3 -34.0 21.9 5.2 17.7 14 262 A V H X S+ 0 0 79 -4,-0.7 4,-1.5 -5,-0.2 -1,-0.2 0.902 111.2 43.3 -64.5 -41.7 22.0 2.9 14.7 15 263 A L H X S+ 0 0 7 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.884 112.4 52.9 -71.8 -39.2 19.1 0.9 15.9 16 264 A A H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.909 109.7 48.3 -63.0 -42.5 17.2 4.1 17.0 17 265 A K H X S+ 0 0 77 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.858 108.8 54.7 -66.3 -36.5 17.6 5.6 13.5 18 266 A A H X S+ 0 0 3 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.934 110.1 45.5 -63.0 -46.5 16.4 2.4 11.9 19 267 A Y H X>S+ 0 0 29 -4,-2.2 5,-2.4 2,-0.2 4,-0.6 0.891 111.6 54.1 -63.9 -39.1 13.2 2.4 14.0 20 268 A S H ><5S+ 0 0 58 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.965 109.1 45.1 -60.8 -54.1 12.7 6.1 13.2 21 269 A V H 3<5S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.754 110.1 56.4 -63.4 -24.0 12.9 5.7 9.4 22 270 A Q H 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.582 120.9-109.8 -82.2 -10.0 10.6 2.7 9.5 23 271 A G T <<5S+ 0 0 38 -3,-1.7 2,-1.7 -4,-0.6 3,-0.2 0.527 78.2 131.5 96.2 5.6 8.0 4.8 11.3 24 272 A D >< + 0 0 63 -5,-2.4 4,-2.2 1,-0.2 5,-0.1 -0.541 27.1 164.6 -89.4 70.6 8.2 3.2 14.8 25 273 A K H > + 0 0 121 -2,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.796 65.7 50.4 -60.7 -36.5 8.4 6.7 16.4 26 274 A W H > S+ 0 0 161 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.925 112.2 46.3 -72.3 -41.6 7.6 5.8 20.0 27 275 A R H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 114.6 50.5 -63.5 -40.0 10.2 3.0 20.1 28 276 A A H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.889 107.5 51.4 -63.9 -40.5 12.6 5.4 18.5 29 277 A L H X S+ 0 0 32 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.865 108.5 55.0 -63.9 -34.3 11.8 8.1 21.1 30 278 A G H X S+ 0 0 37 -4,-2.0 4,-1.9 2,-0.2 3,-0.4 0.962 110.9 41.5 -62.5 -53.3 12.5 5.4 23.7 31 279 A Y H X S+ 0 0 12 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.887 110.1 60.3 -61.6 -39.1 16.0 4.6 22.3 32 280 A A H X S+ 0 0 34 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.840 108.5 42.7 -58.6 -36.2 16.6 8.4 21.8 33 281 A K H X S+ 0 0 122 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.2 0.858 114.5 49.2 -79.3 -36.7 16.2 9.1 25.5 34 282 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.846 109.1 54.8 -69.4 -34.3 18.2 6.0 26.7 35 283 A I H X S+ 0 0 10 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.923 109.1 46.2 -65.2 -45.5 21.0 7.0 24.3 36 284 A N H >X S+ 0 0 69 -4,-1.4 4,-3.2 -5,-0.2 3,-1.0 0.921 109.8 54.5 -63.3 -44.5 21.2 10.5 25.8 37 285 A A H 3X S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.3 -2,-0.2 0.950 106.0 51.6 -53.4 -52.3 21.2 9.1 29.3 38 286 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.2 -34,-0.2 0.690 116.7 42.5 -59.8 -18.6 24.1 6.8 28.5 39 287 A K H << S+ 0 0 60 -3,-1.0 -35,-0.6 -4,-0.7 -37,-0.3 0.851 112.4 48.3 -91.3 -47.2 25.9 9.9 27.2 40 288 A S H < S+ 0 0 92 -4,-3.2 -2,-0.2 -37,-0.1 -3,-0.2 0.656 95.6 102.1 -70.5 -16.1 25.1 12.5 29.9 41 289 A F S < S- 0 0 39 -4,-1.6 -37,-0.3 -5,-0.3 -39,-0.2 0.060 76.7-125.1 -61.7 170.2 26.0 10.0 32.4 42 290 A H S S+ 0 0 134 1,-0.1 -1,-0.1 -39,-0.1 -4,-0.1 0.278 76.1 18.0-114.9 8.5 29.5 10.1 34.4 43 291 A K S S- 0 0 86 -5,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.965 89.1 -76.1-171.1 158.2 31.2 6.6 33.9 44 292 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.462 51.0-119.0 -65.6 124.0 31.2 3.5 31.8 45 293 A V + 0 0 3 -2,-0.3 3,-0.1 1,-0.1 -7,-0.0 -0.496 39.8 170.4 -65.0 125.8 28.2 1.3 32.6 46 294 A T + 0 0 113 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.360 51.9 52.3-120.7 2.9 29.6 -2.0 33.8 47 295 A S S >> S- 0 0 59 1,-0.1 4,-1.4 0, 0.0 3,-0.6 -0.995 71.6-126.7-145.4 149.8 26.6 -3.8 35.3 48 296 A Y H 3> S+ 0 0 97 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.838 115.9 45.6 -58.2 -32.4 23.0 -4.8 34.3 49 297 A Q H 3> S+ 0 0 55 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.650 103.6 58.2 -86.4 -20.4 21.8 -3.1 37.6 50 298 A E H <4 S+ 0 0 32 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.882 111.2 48.6 -67.4 -41.2 23.9 0.2 37.3 51 299 A A H >< S+ 0 0 2 -4,-1.4 3,-3.0 2,-0.2 -2,-0.2 0.933 106.7 50.2 -60.6 -68.4 22.0 0.6 34.0 52 300 A C H 3< S+ 0 0 47 -4,-1.6 5,-0.3 1,-0.3 -1,-0.2 0.870 104.9 62.6 -49.6 -36.6 18.5 -0.1 35.2 53 301 A S T 3< S+ 0 0 94 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.636 86.5 91.1 -63.0 -17.1 19.2 2.5 37.9 54 302 A I S X S- 0 0 13 -3,-3.0 3,-1.9 4,-0.1 -16,-0.1 -0.707 86.9-116.7 -88.4 126.3 19.6 5.1 35.2 55 303 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.317 103.2 32.4 -58.4 143.4 16.5 7.0 34.3 56 304 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -4,-0.1 -22,-0.1 0.351 103.3 95.2 90.3 -8.2 15.5 6.4 30.7 57 305 A I < + 0 0 10 -3,-1.9 -1,-0.2 -5,-0.3 2,-0.2 -0.972 50.4 176.5-121.7 122.2 16.9 2.9 30.9 58 306 A G > - 0 0 37 -2,-0.5 4,-2.8 -3,-0.1 5,-0.2 -0.461 49.4 -83.8-110.6-173.0 14.7 -0.1 31.7 59 307 A K H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 126.1 52.2 -56.5 -52.0 15.4 -3.9 31.9 60 308 A R H > S+ 0 0 205 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.882 114.7 41.3 -51.9 -46.6 15.0 -4.4 28.1 61 309 A M H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 112.3 55.1 -71.3 -40.5 17.5 -1.6 27.3 62 310 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.923 104.5 54.7 -58.2 -45.3 19.9 -2.7 30.1 63 311 A E H X S+ 0 0 109 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.915 107.7 49.5 -54.2 -45.2 19.9 -6.2 28.7 64 312 A K H X S+ 0 0 56 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.875 108.1 52.7 -65.3 -35.9 21.0 -4.8 25.3 65 313 A I H X S+ 0 0 4 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.910 107.1 54.6 -64.0 -41.2 23.7 -2.7 27.0 66 314 A I H >X S+ 0 0 34 -4,-2.6 4,-3.0 1,-0.2 3,-1.4 0.980 104.5 52.5 -51.6 -63.3 24.9 -6.0 28.6 67 315 A E H 3X>S+ 0 0 62 -4,-2.3 4,-1.9 1,-0.3 6,-0.7 0.812 107.1 53.7 -42.8 -41.5 25.2 -7.7 25.2 68 316 A I H 3<5S+ 0 0 4 -4,-1.6 4,-0.4 3,-0.2 -1,-0.3 0.874 116.2 37.5 -66.2 -36.4 27.3 -4.9 23.9 69 317 A L H <<5S+ 0 0 89 -4,-1.7 -2,-0.2 -3,-1.4 -1,-0.2 0.884 126.0 35.4 -84.1 -39.3 29.8 -5.1 26.8 70 318 A E H <5S+ 0 0 160 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.944 134.9 25.2 -76.4 -50.5 29.9 -8.9 27.2 71 319 A S T <5S- 0 0 70 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.583 92.3-136.9 -90.5 -15.2 29.5 -9.8 23.5 72 320 A G S > - 0 0 10 -2,-0.3 3,-2.5 1,-0.1 4,-0.5 -0.925 8.9-156.6-129.1 104.4 24.4 -6.5 19.3 75 323 A R G >4 S+ 0 0 47 -2,-0.5 3,-0.8 1,-0.3 -1,-0.1 0.704 92.6 70.7 -51.9 -21.7 22.7 -9.3 17.4 76 324 A K G >4 S+ 0 0 94 1,-0.2 3,-1.3 2,-0.2 -1,-0.3 0.852 92.5 56.9 -64.4 -34.1 19.8 -7.0 16.9 77 325 A L G X4 S+ 0 0 37 -3,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.693 97.3 62.8 -70.3 -19.9 21.9 -5.0 14.5 78 326 A D G << S+ 0 0 124 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.327 103.9 48.1 -88.6 8.1 22.5 -8.1 12.4 79 327 A H G < S+ 0 0 159 -3,-1.3 2,-0.2 2,-0.1 -1,-0.2 0.166 75.6 129.0-131.4 16.2 18.8 -8.4 11.5 80 328 A I S < S- 0 0 49 -3,-0.7 -3,-0.0 1,-0.1 -65,-0.0 -0.555 70.7 -96.3 -73.7 136.3 17.9 -4.8 10.5 81 329 A S > - 0 0 52 -2,-0.2 3,-1.2 1,-0.2 -1,-0.1 -0.179 21.0-128.1 -55.0 144.5 16.1 -4.8 7.2 82 330 A E T 3 S+ 0 0 165 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.635 105.5 70.7 -67.0 -14.8 18.3 -4.1 4.1 83 331 A S T 3> S+ 0 0 12 1,-0.2 4,-2.5 2,-0.1 3,-0.4 0.766 75.8 82.1 -75.0 -25.8 15.8 -1.3 3.3 84 332 A V H <> S+ 0 0 11 -3,-1.2 4,-3.0 1,-0.2 5,-0.3 0.886 86.9 51.6 -48.1 -54.4 16.9 0.9 6.2 85 333 A P H > S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.904 115.5 44.1 -52.5 -42.0 19.9 2.6 4.5 86 334 A V H > S+ 0 0 23 -4,-0.5 4,-2.7 -3,-0.4 5,-0.2 0.888 112.0 51.1 -70.2 -40.2 17.7 3.4 1.5 87 335 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.906 111.4 49.3 -63.6 -40.3 14.8 4.6 3.6 88 336 A E H X S+ 0 0 68 -4,-3.0 4,-0.7 -5,-0.2 -1,-0.2 0.888 110.6 50.2 -65.1 -41.1 17.2 6.9 5.5 89 337 A L H >< S+ 0 0 55 -4,-1.9 3,-0.7 -5,-0.3 -2,-0.2 0.931 115.9 41.7 -61.9 -47.0 18.6 8.2 2.2 90 338 A F H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.883 111.2 56.5 -68.1 -39.5 15.1 9.0 0.9 91 339 A S H 3< S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.618 94.5 68.5 -69.0 -13.3 14.0 10.3 4.3 92 340 A N T << S+ 0 0 59 -4,-0.7 2,-0.6 -3,-0.7 -1,-0.3 0.426 73.8 101.4 -86.5 1.5 16.8 12.9 4.2 93 341 A I S X S- 0 0 1 -3,-1.6 3,-2.3 3,-0.1 2,-0.1 -0.776 88.4-112.6 -82.8 123.4 15.2 14.7 1.3 94 342 A W T 3 S+ 0 0 70 -2,-0.6 34,-0.5 1,-0.3 35,-0.2 -0.381 103.8 26.5 -58.6 124.8 13.5 17.8 2.9 95 343 A G T 3 S+ 0 0 37 1,-0.3 2,-0.5 -4,-0.2 -1,-0.3 0.176 101.3 95.2 107.7 -18.4 9.8 17.3 2.6 96 344 A A < + 0 0 8 -3,-2.3 -1,-0.3 -6,-0.2 2,-0.1 -0.920 50.1 175.4-109.0 130.3 9.8 13.5 2.5 97 345 A G > - 0 0 34 -2,-0.5 4,-2.6 -3,-0.1 5,-0.2 -0.366 51.6 -65.5-116.1-161.8 9.2 11.5 5.7 98 346 A T H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.881 129.9 52.1 -56.3 -41.7 8.8 7.9 6.7 99 347 A K H > S+ 0 0 175 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 113.3 42.7 -63.1 -44.6 5.5 7.5 4.7 100 348 A T H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 114.5 51.2 -68.8 -40.0 7.0 8.9 1.5 101 349 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.907 109.6 49.2 -64.8 -42.7 10.2 6.9 1.8 102 350 A Q H X S+ 0 0 74 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.880 111.9 50.4 -64.1 -37.9 8.4 3.6 2.5 103 351 A M H X S+ 0 0 88 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.941 110.1 48.0 -64.8 -50.3 6.2 4.2 -0.6 104 352 A W H <>S+ 0 0 2 -4,-2.3 5,-2.2 2,-0.2 -1,-0.2 0.886 113.1 49.1 -57.8 -41.1 9.1 5.0 -2.9 105 353 A Y H ><5S+ 0 0 38 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.926 108.8 52.9 -64.3 -44.8 10.9 1.9 -1.6 106 354 A Q H 3<5S+ 0 0 155 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.866 104.3 57.3 -57.5 -36.8 7.8 -0.1 -2.2 107 355 A Q T 3<5S- 0 0 102 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.420 126.3-100.1 -77.1 1.9 7.7 1.2 -5.8 108 356 A G T < 5S+ 0 0 44 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.479 73.0 144.8 95.5 2.4 11.2 -0.2 -6.4 109 357 A F < + 0 0 17 -5,-2.2 -1,-0.3 -6,-0.2 3,-0.1 -0.519 13.6 164.1 -77.0 141.4 13.3 3.0 -6.0 110 358 A R + 0 0 105 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.434 57.0 32.4-134.7 -6.2 16.7 2.5 -4.4 111 359 A S S > S- 0 0 40 1,-0.1 4,-2.1 -22,-0.0 -1,-0.2 -0.944 78.7-105.7-149.2 168.9 18.7 5.7 -5.1 112 360 A L H > S+ 0 0 40 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.803 119.8 60.4 -68.6 -25.6 18.5 9.4 -5.6 113 361 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 105.8 47.5 -65.9 -40.9 19.0 8.8 -9.3 114 362 A D H >>S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.9 0.921 114.2 47.3 -63.3 -45.1 15.8 6.7 -9.3 115 363 A I H X5S+ 0 0 0 -4,-2.1 4,-1.1 3,-0.2 -2,-0.2 0.957 110.6 51.4 -61.9 -50.9 14.0 9.4 -7.3 116 364 A R H <5S+ 0 0 151 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 122.4 30.0 -54.7 -40.6 15.2 12.2 -9.6 117 365 A S H <5S+ 0 0 59 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.678 134.6 18.4 -98.2 -18.7 14.1 10.4 -12.8 118 366 A Q H <5S+ 0 0 123 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.649 95.2 95.3-126.4 -22.1 11.1 8.3 -11.8 119 367 A A S < - 0 0 69 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.406 40.3-101.4 -78.7 165.1 6.1 17.6 -4.4 123 371 A T H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.905 125.0 49.8 -54.0 -42.3 7.4 21.2 -4.9 124 372 A Q H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.924 109.1 50.3 -64.1 -45.4 9.1 20.9 -1.5 125 373 A Q H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.866 106.7 54.7 -63.0 -37.1 10.8 17.6 -2.3 126 374 A A H X S+ 0 0 47 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.886 111.2 46.4 -63.3 -37.5 12.1 18.8 -5.6 127 375 A I H X S+ 0 0 18 -4,-1.5 4,-1.3 -5,-0.2 -2,-0.2 0.889 112.1 50.6 -70.9 -39.8 13.7 21.7 -3.7 128 376 A G H < S+ 0 0 1 -4,-2.3 7,-0.2 -34,-0.5 -2,-0.2 0.877 111.4 46.4 -66.0 -38.8 15.1 19.4 -1.0 129 377 A L H >< S+ 0 0 33 -4,-2.5 3,-1.5 1,-0.2 4,-0.2 0.876 106.8 60.0 -70.2 -36.6 16.6 17.0 -3.5 130 378 A K H 3< S+ 0 0 141 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.825 119.0 28.9 -58.6 -34.9 18.1 20.0 -5.4 131 379 A H T 3X S+ 0 0 9 -4,-1.3 4,-2.9 1,-0.1 -1,-0.3 -0.041 82.3 135.9-116.6 28.8 20.0 20.9 -2.2 132 380 A Y T <4 S+ 0 0 29 -3,-1.5 4,-0.2 1,-0.2 -1,-0.1 0.873 76.6 38.6 -45.0 -54.0 20.4 17.4 -0.8 133 381 A S T >> S+ 0 0 77 -4,-0.2 3,-1.5 1,-0.2 4,-0.6 0.930 115.8 53.0 -66.5 -43.6 24.0 17.7 0.2 134 382 A D G >4 S+ 0 0 13 1,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.874 103.9 55.6 -59.4 -40.3 23.6 21.3 1.4 135 383 A F G 3< S+ 0 0 18 -4,-2.9 -1,-0.3 -7,-0.2 -2,-0.2 0.503 105.3 54.7 -73.7 -1.2 20.7 20.5 3.7 136 384 A L G <4 S+ 0 0 86 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.529 95.1 84.2-104.5 -11.7 22.9 17.9 5.4 137 385 A E << - 0 0 90 -3,-1.1 2,-0.3 -4,-0.6 -3,-0.0 -0.527 67.2-140.1 -93.7 157.0 25.7 20.3 6.3 138 386 A R - 0 0 127 -2,-0.2 40,-0.3 101,-0.1 -2,-0.1 -0.764 19.2-131.5-112.0 157.0 26.0 22.7 9.3 139 387 A M E -A 177 0A 0 38,-3.5 38,-2.4 -2,-0.3 40,-0.1 -0.847 23.1 -98.2-115.3 151.2 27.4 26.0 9.1 140 388 A P E >> -A 176 0A 61 0, 0.0 3,-1.7 0, 0.0 4,-1.3 -0.408 37.1-123.6 -58.2 141.4 30.0 27.9 11.1 141 389 A R H 3> S+ 0 0 62 34,-2.7 4,-2.0 1,-0.3 35,-0.1 0.814 111.0 67.9 -57.3 -27.5 28.1 30.1 13.6 142 390 A E H 3> S+ 0 0 126 33,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.833 100.1 47.5 -59.3 -34.4 29.9 33.0 12.1 143 391 A E H <> S+ 0 0 13 -3,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.829 105.8 57.5 -76.9 -32.2 28.0 32.5 8.9 144 392 A A H X S+ 0 0 1 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.904 104.2 54.6 -62.2 -38.6 24.7 32.2 10.8 145 393 A T H X S+ 0 0 48 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.926 106.3 50.2 -59.6 -46.8 25.6 35.7 12.2 146 394 A E H X S+ 0 0 76 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.847 112.2 48.1 -61.1 -35.9 25.9 37.1 8.7 147 395 A I H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.886 111.4 48.0 -72.8 -40.1 22.5 35.6 7.7 148 396 A E H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.858 113.1 50.4 -68.0 -34.0 20.8 36.9 10.8 149 397 A Q H X S+ 0 0 64 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.847 108.0 52.2 -71.5 -35.0 22.3 40.3 10.1 150 398 A T H X S+ 0 0 24 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.895 114.2 43.0 -68.2 -39.6 21.2 40.2 6.5 151 399 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.960 115.7 47.8 -69.9 -51.0 17.6 39.5 7.6 152 400 A Q H X S+ 0 0 40 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.864 109.8 53.3 -57.7 -41.3 17.6 42.0 10.4 153 401 A K H X S+ 0 0 126 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.932 110.5 46.2 -62.1 -45.0 19.1 44.8 8.2 154 402 A A H < S+ 0 0 7 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.804 115.0 49.1 -68.2 -27.9 16.4 44.3 5.6 155 403 A A H >< S+ 0 0 1 -4,-1.8 3,-1.2 1,-0.2 4,-0.3 0.939 112.8 43.3 -76.2 -49.9 13.7 44.3 8.4 156 404 A Q H >< S+ 0 0 68 -4,-2.9 3,-0.6 1,-0.3 -2,-0.2 0.712 98.1 77.8 -69.5 -18.9 14.9 47.4 10.3 157 405 A A T 3< S+ 0 0 84 -4,-1.4 -1,-0.3 -5,-0.3 3,-0.2 0.818 108.1 28.7 -59.9 -31.4 15.3 49.1 6.9 158 406 A F T < S+ 0 0 61 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.342 141.3 18.2-110.9 5.8 11.5 49.6 6.8 159 407 A N X - 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0 0 12 -12,-2.7 2,-0.6 -3,-0.2 -1,-0.2 -0.612 26.4-135.2 -79.9 138.3 -6.0 23.7 31.5 289 537 A V E +H 298 0D 82 9,-1.4 8,-4.2 -2,-0.3 9,-2.7 -0.852 27.9 176.4-100.8 119.0 -8.6 21.0 31.3 290 538 A R E -H 296 0D 54 -2,-0.6 6,-0.2 6,-0.3 2,-0.0 -0.862 20.6-131.7-119.8 154.3 -7.5 17.7 29.8 291 539 A N > - 0 0 73 4,-2.2 3,-1.6 -2,-0.3 -1,-0.1 -0.091 48.4 -74.5 -87.8-167.8 -9.4 14.4 29.4 292 540 A T T 3 S+ 0 0 138 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.734 132.2 52.5 -62.1 -25.4 -8.2 10.8 30.2 293 541 A H T 3 S- 0 0 170 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.067 119.2-106.9-101.3 24.6 -5.9 10.8 27.3 294 542 A G S < S+ 0 0 23 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.608 73.1 144.1 63.3 13.0 -4.2 14.1 28.2 295 543 A A - 0 0 47 1,-0.1 -4,-2.2 2,-0.0 -1,-0.2 -0.692 58.2-106.0 -87.6 134.1 -5.9 15.9 25.4 296 544 A K E +H 290 0D 128 -2,-0.4 -6,-0.3 -6,-0.2 -1,-0.1 -0.325 48.3 157.5 -58.8 132.6 -7.0 19.5 26.0 297 545 A V E + 0 0 76 -8,-4.2 -7,-0.2 1,-0.4 -1,-0.2 0.446 68.7 44.8-128.5 -20.9 -10.8 19.8 26.4 298 546 A G E S-H 289 0D 10 -9,-2.7 -9,-1.4 1,-0.1 -1,-0.4 -0.992 71.6-144.0-129.0 136.7 -10.7 23.1 28.3 299 547 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.855 27.5-170.8 -68.5 -40.4 -8.6 26.2 27.4 300 548 A G - 0 0 34 -13,-0.1 2,-0.4 -12,-0.1 -13,-0.2 -0.405 34.2 -61.6 76.4-158.7 -7.7 27.5 30.8 301 549 A R E -G 286 0C 158 -15,-2.4 -15,-2.6 -2,-0.1 2,-0.2 -0.972 39.1-112.4-135.1 146.9 -6.0 30.9 31.0 302 550 A V E -G 285 0C 101 -2,-0.4 -17,-0.2 -17,-0.2 -2,-0.0 -0.505 28.3-143.6 -73.5 135.7 -2.8 32.6 29.8 303 551 A L - 0 0 28 -19,-3.0 -19,-0.5 -2,-0.2 2,-0.3 -0.774 27.5-102.7 -98.6 142.9 -0.3 33.6 32.4 304 552 A P + 0 0 106 0, 0.0 -21,-0.0 0, 0.0 -1,-0.0 -0.497 43.2 174.5 -66.1 123.7 1.8 36.8 32.0 305 553 A T + 0 0 11 -56,-0.3 -53,-0.5 -2,-0.3 -52,-0.3 -0.624 12.0 164.3-135.2 78.1 5.3 35.8 30.8 306 554 A P S S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.770 71.9 19.8 -61.2 -30.4 7.4 39.0 30.1 307 555 A T S >> S- 0 0 69 1,-0.1 4,-1.0 -56,-0.1 3,-1.0 -0.939 80.9-107.4-141.8 163.1 10.6 37.0 30.1 308 556 A E H >> S+ 0 0 12 -2,-0.3 4,-1.8 1,-0.3 3,-0.5 0.849 117.3 62.0 -56.9 -37.2 11.9 33.4 29.8 309 557 A K H 3> S+ 0 0 117 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.850 97.1 59.1 -58.7 -34.7 12.7 33.5 33.5 310 558 A D H <> S+ 0 0 27 -3,-1.0 4,-3.1 2,-0.2 -1,-0.2 0.871 103.2 51.2 -62.3 -38.2 9.0 33.9 34.1 311 559 A V H <>S+ 0 0 2 -4,-1.8 5,-2.6 2,-0.2 3,-0.7 0.960 116.2 49.1 -60.8 -50.8 10.7 28.7 34.4 313 561 A R H ><5S+ 0 0 145 -4,-3.0 3,-3.1 1,-0.3 -2,-0.2 0.958 108.9 50.6 -52.1 -59.5 9.5 30.4 37.6 314 562 A L H 3<5S+ 0 0 49 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.739 111.3 50.7 -53.5 -24.9 5.9 29.8 36.9 315 563 A L T <<5S- 0 0 2 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.363 117.1-113.9 -94.8 4.0 6.7 26.1 36.3 316 564 A G T < 5S+ 0 0 62 -3,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.896 73.4 133.9 65.4 40.0 8.7 25.9 39.6 317 565 A L < - 0 0 51 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.2 -0.943 61.7-114.1-123.8 143.0 11.9 25.3 37.7 318 566 A P - 0 0 105 0, 0.0 -9,-0.0 0, 0.0 0, 0.0 -0.545 47.6 -99.8 -73.1 140.2 15.3 27.0 38.2 319 567 A Y - 0 0 65 -2,-0.2 2,-0.4 1,-0.0 -10,-0.1 -0.152 36.2-154.4 -57.9 155.6 16.2 29.1 35.2 320 568 A R - 0 0 97 -3,-0.1 -8,-0.1 5,-0.0 -1,-0.0 -0.990 15.8-123.0-138.4 126.5 18.6 27.7 32.6 321 569 A E > - 0 0 111 -2,-0.4 3,-2.5 1,-0.1 -149,-0.0 -0.309 34.4-109.0 -61.9 149.9 20.8 29.6 30.3 322 570 A P G > S+ 0 0 13 0, 0.0 3,-1.7 0, 0.0 -150,-0.2 0.905 120.4 60.4 -47.7 -45.2 20.2 28.8 26.6 323 571 A A G 3 S+ 0 0 48 1,-0.3 3,-0.3 -152,-0.3 -151,-0.1 0.680 99.6 57.7 -57.5 -19.5 23.6 27.0 26.5 324 572 A E G < S+ 0 0 130 -3,-2.5 -1,-0.3 1,-0.2 3,-0.2 -0.020 86.2 84.8-101.8 30.3 22.3 24.7 29.2 325 573 A R < + 0 0 0 -3,-1.7 -61,-0.3 1,-0.1 -1,-0.2 -0.098 39.8 118.3-122.9 37.0 19.3 23.5 27.1 326 574 A D 0 0 73 -3,-0.3 -65,-0.2 -63,-0.1 -63,-0.1 0.452 360.0 360.0 -80.3 2.6 20.6 20.7 24.9 327 575 A W 0 0 44 -3,-0.2 -60,-0.1 -67,-0.1 -2,-0.1 0.008 360.0 360.0 171.5 360.0 18.1 18.4 26.7