==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-DEC-04 2BFW . COMPND 2 MOLECULE: GLGA GLYCOGEN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR C.HORCAJADA,J.J.GUINOVART,I.FITA,J.C.FERRER . 196 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 1 0 2 0 0 2 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 218 A G 0 0 108 0, 0.0 2,-0.4 0, 0.0 195,-0.1 0.000 360.0 360.0 360.0 148.2 11.3 7.4 -2.2 2 219 A I - 0 0 10 193,-0.5 2,-1.2 190,-0.1 3,-0.1 -0.692 360.0-137.0 -90.9 134.5 11.3 6.3 1.4 3 220 A D >> + 0 0 75 -2,-0.4 4,-2.7 1,-0.2 3,-1.0 -0.716 24.5 175.8 -87.1 90.3 13.6 7.9 4.0 4 221 A C T 34 S+ 0 0 48 -2,-1.2 -1,-0.2 192,-0.3 192,-0.0 0.502 74.1 71.4 -77.9 -1.9 14.9 4.9 6.0 5 222 A S T 34 S+ 0 0 78 1,-0.1 -1,-0.2 -3,-0.1 3,-0.2 0.807 114.5 25.4 -75.2 -31.5 17.1 7.2 8.0 6 223 A F T <4 S+ 0 0 15 -3,-1.0 2,-1.5 1,-0.2 -2,-0.2 0.832 115.8 64.5 -95.8 -45.1 14.0 8.5 9.7 7 224 A W S < S+ 0 0 12 -4,-2.7 2,-0.3 2,-0.1 -1,-0.2 -0.624 79.4 102.4 -88.2 81.3 11.6 5.5 9.3 8 225 A N S > S- 0 0 41 -2,-1.5 3,-0.8 -3,-0.2 126,-0.2 -0.972 76.5-113.3-152.5 165.0 13.3 2.8 11.4 9 226 A E G > S+ 0 0 51 124,-0.4 3,-1.2 -2,-0.3 125,-0.1 0.379 92.8 92.2 -85.3 4.5 12.9 1.1 14.8 10 227 A S G 3 S+ 0 0 93 1,-0.2 -1,-0.2 3,-0.0 -3,-0.1 0.835 82.1 58.5 -63.5 -31.1 16.2 2.5 16.2 11 228 A Y G < S+ 0 0 115 -3,-0.8 2,-0.3 -5,-0.2 -1,-0.2 0.512 91.5 92.1 -75.9 -7.7 14.3 5.5 17.6 12 229 A L S < S- 0 0 24 -3,-1.2 2,-0.3 2,-0.1 4,-0.1 -0.699 70.5-129.5-102.8 147.2 11.9 3.3 19.7 13 230 A T - 0 0 123 -2,-0.3 6,-0.1 2,-0.1 -2,-0.1 -0.688 60.8 -22.8 -96.1 139.1 12.3 2.2 23.3 14 231 A G S S- 0 0 54 -2,-0.3 2,-0.2 4,-0.1 -2,-0.1 -0.238 99.1 -31.1 68.9-149.7 12.1 -1.4 24.6 15 232 A S > - 0 0 46 1,-0.1 4,-2.5 96,-0.0 5,-0.2 -0.609 51.1-112.6-105.2 164.1 10.2 -4.2 22.8 16 233 A R H > S+ 0 0 29 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 118.3 51.9 -58.2 -47.3 7.2 -4.2 20.6 17 234 A D H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 111.6 47.7 -55.6 -47.7 5.1 -6.1 23.2 18 235 A E H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 113.2 46.8 -58.1 -50.5 6.1 -3.5 25.8 19 236 A R H X S+ 0 0 27 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.906 112.4 49.5 -62.4 -43.8 5.2 -0.5 23.6 20 237 A K H X S+ 0 0 17 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.915 110.7 50.2 -63.7 -42.9 1.9 -2.0 22.5 21 238 A K H X S+ 0 0 122 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.934 113.8 45.1 -59.5 -47.2 0.9 -2.7 26.1 22 239 A S H X S+ 0 0 56 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.920 113.8 49.9 -61.7 -46.8 1.7 0.9 27.2 23 240 A L H >X S+ 0 0 15 -4,-2.7 4,-0.8 1,-0.2 3,-0.7 0.939 112.8 45.0 -57.8 -53.3 -0.0 2.4 24.2 24 241 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-0.6 0.854 107.9 58.7 -61.9 -36.1 -3.2 0.4 24.7 25 242 A S H ><5S+ 0 0 73 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.752 98.9 58.6 -67.2 -26.0 -3.3 1.1 28.5 26 243 A K H <<5S+ 0 0 152 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.798 107.3 47.9 -69.3 -29.2 -3.3 4.9 27.7 27 244 A F T <<5S- 0 0 49 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.331 124.0-107.3 -91.3 5.3 -6.5 4.2 25.8 28 245 A G T < 5S+ 0 0 68 -3,-0.7 2,-0.4 1,-0.3 -3,-0.2 0.787 80.3 125.7 73.0 30.1 -7.9 2.2 28.7 29 246 A M < - 0 0 18 -5,-2.6 -1,-0.3 -8,-0.1 -2,-0.2 -0.923 53.7-136.6-120.1 142.2 -7.5 -1.1 26.9 30 247 A D - 0 0 123 -2,-0.4 -3,-0.0 1,-0.2 0, 0.0 -0.385 54.4 -54.9 -85.2 177.1 -5.7 -4.3 27.8 31 248 A E S S+ 0 0 111 -2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.187 70.9 141.1 -60.8 135.5 -3.5 -6.2 25.4 32 249 A G - 0 0 12 -3,-0.1 2,-0.4 -12,-0.0 35,-0.2 -0.977 61.5 -70.3-161.8 166.8 -5.0 -7.3 22.0 33 250 A V E -a 67 0A 30 33,-1.8 35,-2.4 -2,-0.3 2,-0.5 -0.544 60.4-145.3 -66.9 120.7 -4.1 -7.7 18.3 34 251 A T E -a 68 0A 0 -2,-0.4 80,-2.6 33,-0.2 79,-1.7 -0.815 20.4-173.1-110.9 124.2 -3.9 -4.0 17.3 35 252 A F E -ab 69 114A 0 33,-3.0 35,-2.5 -2,-0.5 2,-0.4 -0.934 10.5-163.4-113.6 129.3 -5.0 -2.6 13.9 36 253 A M E -ab 70 115A 2 78,-2.5 80,-3.2 -2,-0.4 2,-0.4 -0.931 10.6-167.3-120.4 142.6 -4.3 1.0 13.0 37 254 A F E -a 71 0A 4 33,-2.8 35,-3.5 -2,-0.4 2,-0.4 -0.992 7.1-179.7-120.1 131.2 -5.7 3.4 10.3 38 255 A I E +a 72 0A 46 -2,-0.4 2,-0.3 78,-0.4 35,-0.2 -0.956 36.0 83.7-131.4 117.0 -4.1 6.7 9.6 39 256 A G S S- 0 0 17 33,-2.5 -2,-0.0 -2,-0.4 78,-0.0 -0.911 76.1 -53.1 169.6 164.1 -5.5 8.9 6.9 40 257 A R - 0 0 136 -2,-0.3 2,-0.9 33,-0.2 8,-0.4 -0.230 48.8-124.4 -52.0 139.8 -8.1 11.6 5.9 41 258 A F B +f 75 0B 2 33,-2.6 35,-1.3 6,-0.1 2,-0.2 -0.850 56.6 138.3 -88.6 103.1 -11.7 10.8 6.7 42 259 A D - 0 0 32 -2,-0.9 7,-0.7 33,-0.1 6,-0.3 -0.814 59.5-112.2-138.8-179.0 -13.4 11.1 3.2 43 260 A R S S+ 0 0 170 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 0.720 102.6 7.7 -93.4 -25.6 -16.1 9.2 1.2 44 261 A G S S+ 0 0 30 5,-0.0 -1,-0.1 77,-0.0 75,-0.0 0.202 117.3 57.5-147.6 21.5 -14.1 7.8 -1.7 45 262 A Q S S+ 0 0 91 75,-0.1 75,-3.6 -5,-0.1 76,-1.9 0.729 110.8 18.7-117.2 -70.3 -10.3 8.2 -1.3 46 263 A K S S- 0 0 45 73,-0.3 -3,-0.1 -6,-0.2 -5,-0.1 0.653 92.6-128.2 -86.3 -17.9 -8.7 6.8 1.8 47 264 A G >> + 0 0 0 -5,-0.1 4,-1.8 72,-0.1 3,-0.5 0.710 56.6 146.2 81.9 24.2 -11.5 4.4 2.7 48 265 A V H 3> S+ 0 0 0 -8,-0.4 4,-2.8 -6,-0.3 5,-0.2 0.891 76.2 60.3 -56.8 -35.8 -12.3 5.1 6.3 49 266 A D H 3> S+ 0 0 16 -7,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.881 103.2 49.6 -55.5 -42.4 -15.9 4.3 5.4 50 267 A V H <> S+ 0 0 5 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.912 111.9 48.3 -66.0 -43.3 -14.9 0.8 4.4 51 268 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.920 111.5 48.8 -62.6 -46.2 -13.0 0.3 7.7 52 269 A L H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.886 112.0 49.0 -64.8 -38.4 -15.9 1.6 9.8 53 270 A K H X S+ 0 0 92 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.906 110.4 51.8 -64.0 -40.9 -18.3 -0.7 7.9 54 271 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.897 108.0 51.2 -62.7 -42.0 -15.9 -3.6 8.5 55 272 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.925 109.5 50.5 -59.8 -43.5 -15.8 -2.8 12.2 56 273 A E H < S+ 0 0 86 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.928 110.4 49.9 -61.3 -43.9 -19.6 -2.8 12.3 57 274 A I H >< S+ 0 0 79 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.891 114.7 44.0 -59.0 -42.8 -19.6 -6.2 10.5 58 275 A L H >< S+ 0 0 1 -4,-2.3 3,-2.5 1,-0.2 6,-0.4 0.746 92.3 82.8 -75.3 -24.6 -17.1 -7.7 13.0 59 276 A S T 3< S+ 0 0 42 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.645 85.3 57.1 -63.9 -18.1 -18.7 -6.3 16.1 60 277 A S T < S+ 0 0 106 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.3 0.413 93.1 90.6 -88.3 -0.9 -21.3 -9.1 16.4 61 278 A K S X S- 0 0 102 -3,-2.5 3,-1.2 1,-0.1 4,-0.4 -0.761 77.1-134.8 -99.4 143.1 -18.4 -11.7 16.5 62 279 A K G > S+ 0 0 165 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 0.854 105.5 63.9 -59.1 -35.9 -16.8 -13.0 19.7 63 280 A E G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.709 83.3 78.2 -65.1 -19.7 -13.3 -12.5 18.1 64 281 A F G X S+ 0 0 11 -3,-1.2 3,-1.8 -6,-0.4 -1,-0.3 0.858 84.6 63.0 -53.9 -36.7 -14.0 -8.8 17.9 65 282 A Q G < S+ 0 0 139 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.673 98.0 55.5 -64.3 -22.0 -13.1 -8.6 21.6 66 283 A E G < S+ 0 0 108 -3,-1.6 -33,-1.8 -4,-0.3 2,-0.3 0.454 97.4 83.0 -89.3 -4.6 -9.6 -9.8 20.8 67 284 A M E < -a 33 0A 0 -3,-1.8 2,-0.4 -4,-0.3 -33,-0.2 -0.722 59.5-161.2-100.0 150.3 -9.1 -6.9 18.4 68 285 A R E -a 34 0A 20 -35,-2.4 -33,-3.0 -2,-0.3 2,-0.5 -0.995 8.1-157.8-126.4 138.2 -8.1 -3.3 19.1 69 286 A F E -ac 35 93A 0 23,-2.9 25,-3.0 -2,-0.4 2,-0.5 -0.973 10.4-173.3-120.9 127.0 -8.6 -0.5 16.6 70 287 A I E -ac 36 94A 0 -35,-2.5 -33,-2.8 -2,-0.5 2,-0.6 -0.979 10.9-172.0-116.0 117.9 -6.8 2.8 16.5 71 288 A I E -ac 37 95A 0 23,-3.2 25,-2.4 -2,-0.5 2,-0.5 -0.898 5.0-178.3-120.6 103.6 -8.3 5.2 13.9 72 289 A I E +ac 38 96A 2 -35,-3.5 -33,-2.5 -2,-0.6 2,-0.2 -0.872 29.9 74.2-112.8 125.8 -6.4 8.4 13.2 73 290 A G - 0 0 5 23,-2.2 2,-0.3 -2,-0.5 -33,-0.2 -0.845 50.2-123.9 159.5 171.2 -7.5 11.2 10.9 74 291 A K + 0 0 87 -2,-0.2 -33,-2.6 23,-0.2 2,-0.3 -0.855 45.2 93.1-133.7 169.1 -9.7 14.2 10.3 75 292 A G B +f 41 0B 18 -2,-0.3 -33,-0.1 -35,-0.2 5,-0.1 -0.978 61.9 46.1 156.9-131.2 -12.2 15.5 7.8 76 293 A D > - 0 0 39 -35,-1.3 4,-3.2 -2,-0.3 5,-0.2 -0.120 59.7-139.4 -48.2 127.4 -16.0 15.4 7.4 77 294 A P H > S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.824 106.3 52.9 -57.8 -33.7 -18.0 16.1 10.6 78 295 A E H > S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.913 112.5 42.7 -68.5 -43.5 -20.4 13.3 9.5 79 296 A L H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.901 114.9 49.5 -71.0 -41.4 -17.5 10.8 9.2 80 297 A E H X S+ 0 0 23 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.915 110.5 52.3 -60.0 -41.4 -15.8 12.0 12.4 81 298 A G H X S+ 0 0 34 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.900 109.1 49.5 -59.8 -42.7 -19.2 11.6 14.1 82 299 A W H X S+ 0 0 61 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.942 111.9 47.2 -61.3 -51.1 -19.5 8.1 12.9 83 300 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.922 112.6 50.3 -56.6 -45.8 -16.0 7.2 14.1 84 301 A R H X S+ 0 0 113 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.877 107.4 54.1 -60.8 -40.1 -16.7 8.8 17.5 85 302 A S H X S+ 0 0 60 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.918 109.0 47.4 -60.2 -46.4 -20.0 6.9 17.8 86 303 A L H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.863 109.0 55.4 -63.7 -38.0 -18.2 3.5 17.3 87 304 A E H < S+ 0 0 58 -4,-2.1 6,-0.3 2,-0.2 -1,-0.2 0.901 111.5 43.4 -58.9 -44.3 -15.6 4.6 19.8 88 305 A E H < S+ 0 0 182 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.6 47.5 -70.8 -35.2 -18.3 5.2 22.4 89 306 A K H < S+ 0 0 164 -4,-2.4 2,-0.5 1,-0.2 -2,-0.2 0.840 115.9 45.0 -70.8 -35.2 -20.1 1.9 21.4 90 307 A H >< - 0 0 31 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.2 -0.940 61.9-158.1-125.7 114.5 -16.9 -0.2 21.5 91 308 A G T 3 S+ 0 0 70 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.1 0.560 94.9 61.7 -65.5 -9.8 -14.3 -0.1 24.3 92 309 A N T 3 S+ 0 0 19 -63,-0.1 -23,-2.9 -24,-0.1 2,-0.5 0.180 89.5 86.5-100.5 15.9 -11.8 -1.6 21.9 93 310 A V E < -c 69 0A 6 -3,-1.9 2,-0.4 -6,-0.3 -23,-0.2 -0.974 53.3-175.2-119.6 125.4 -12.0 1.3 19.5 94 311 A K E -c 70 0A 63 -25,-3.0 -23,-3.2 -2,-0.5 2,-0.4 -0.986 5.1-166.8-118.1 130.8 -9.9 4.5 19.8 95 312 A V E -c 71 0A 12 -2,-0.4 2,-0.5 -25,-0.2 -23,-0.2 -0.960 7.4-174.2-120.8 130.3 -10.4 7.5 17.5 96 313 A I E -c 72 0A 22 -25,-2.4 -23,-2.2 -2,-0.4 2,-1.4 -0.933 8.3-163.0-126.5 105.4 -8.0 10.4 17.2 97 314 A T + 0 0 33 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.536 57.1 63.9 -96.4 72.3 -9.4 13.2 15.0 98 315 A E S S- 0 0 101 -2,-1.4 2,-0.3 -24,-0.1 -25,-0.1 -0.967 85.5 -82.4-171.3 168.8 -6.3 15.3 14.2 99 316 A M - 0 0 134 -2,-0.3 2,-0.3 -26,-0.1 -26,-0.0 -0.668 39.9-158.7 -82.5 140.6 -2.9 15.3 12.5 100 317 A L - 0 0 35 -2,-0.3 -28,-0.0 1,-0.1 -2,-0.0 -0.887 26.5 -98.0-117.4 154.2 0.0 13.8 14.4 101 318 A S > - 0 0 64 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.259 32.9-113.4 -65.0 155.6 3.7 14.5 13.9 102 319 A R H > S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.812 118.6 59.2 -61.9 -27.9 5.7 11.9 11.8 103 320 A E H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 108.4 44.0 -62.7 -43.7 7.7 11.2 15.0 104 321 A F H > S+ 0 0 88 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.935 113.7 50.2 -64.2 -48.9 4.4 10.2 16.8 105 322 A V H X S+ 0 0 12 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.925 108.4 54.1 -54.6 -47.4 3.3 8.2 13.7 106 323 A R H X S+ 0 0 26 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.913 108.5 48.1 -54.0 -48.3 6.6 6.4 13.6 107 324 A E H < S+ 0 0 88 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.904 111.2 51.5 -60.3 -42.6 6.2 5.3 17.3 108 325 A L H >< S+ 0 0 3 -4,-2.3 3,-2.0 1,-0.2 4,-0.5 0.925 107.0 51.6 -62.7 -46.4 2.7 4.1 16.5 109 326 A Y H >< S+ 0 0 5 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.870 110.7 50.4 -56.9 -37.6 3.8 2.0 13.5 110 327 A G T 3< S+ 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.399 113.5 47.1 -80.1 2.9 6.4 0.4 15.8 111 328 A S T < S+ 0 0 3 -3,-2.0 2,-0.2 -92,-0.1 -1,-0.2 0.263 99.5 69.9-129.9 3.5 3.8 -0.3 18.5 112 329 A V < - 0 0 0 -3,-0.7 -77,-0.1 -4,-0.5 3,-0.1 -0.750 69.3-133.6-117.5 171.6 0.8 -1.9 16.6 113 330 A D S S+ 0 0 4 -79,-1.7 24,-2.1 1,-0.3 2,-0.3 0.901 83.9 12.0 -88.7 -48.4 0.4 -5.2 14.9 114 331 A F E -bd 35 137A 0 -80,-2.6 -78,-2.5 22,-0.2 2,-0.5 -0.953 57.6-147.1-133.0 147.9 -1.2 -4.2 11.6 115 332 A V E -bd 36 138A 1 22,-1.7 24,-2.5 -2,-0.3 2,-0.6 -0.982 19.3-146.9-113.5 125.8 -1.8 -1.0 9.6 116 333 A I E - d 0 139A 2 -80,-3.2 -78,-0.4 -2,-0.5 24,-0.2 -0.827 16.5-178.9 -96.9 121.7 -5.0 -1.0 7.6 117 334 A I E + d 0 140A 9 22,-3.0 24,-2.3 -2,-0.6 2,-0.6 -0.750 6.6 171.2-121.5 79.5 -4.7 1.0 4.3 118 335 A P + 0 0 2 0, 0.0 43,-0.4 0, 0.0 -68,-0.2 -0.075 21.6 163.0 -86.7 37.4 -8.2 0.7 2.8 119 336 A S - 0 0 1 -2,-0.6 -73,-0.3 1,-0.1 3,-0.2 -0.123 36.6-170.6 -60.2 145.4 -7.5 3.2 0.0 120 337 A Y S S+ 0 0 81 -75,-3.6 2,-0.4 1,-0.3 -74,-0.2 0.699 90.5 32.6 -91.7 -35.8 -9.6 3.6 -3.2 121 338 A F + 0 0 120 -76,-1.9 -1,-0.3 22,-0.1 22,-0.0 -0.985 67.0 146.9-127.3 118.3 -6.9 6.0 -4.5 122 339 A E + 0 0 23 -2,-0.4 23,-2.5 -3,-0.2 24,-0.6 -0.562 9.1 169.9-154.2 80.0 -3.3 5.5 -3.6 123 340 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.859 84.3 18.9 -65.9 -35.7 -0.8 6.5 -6.3 124 341 A F S S- 0 0 151 20,-0.1 -2,-0.1 21,-0.1 20,-0.0 0.837 72.3-161.0-105.3 -43.5 2.4 6.3 -4.2 125 342 A G >> + 0 0 0 1,-0.1 3,-1.3 3,-0.1 4,-1.3 0.716 34.9 149.3 64.3 23.0 1.6 4.2 -1.1 126 343 A L H 3> + 0 0 59 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.787 66.7 66.7 -55.5 -29.4 4.6 5.6 0.7 127 344 A V H 3> S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.856 96.9 52.5 -57.5 -41.5 2.6 5.1 3.9 128 345 A A H <> S+ 0 0 0 -3,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.932 110.3 47.7 -61.1 -46.0 2.8 1.3 3.4 129 346 A L H X S+ 0 0 9 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.870 111.5 50.5 -64.3 -38.3 6.5 1.5 3.1 130 347 A E H X S+ 0 0 45 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.953 112.7 45.6 -64.6 -49.9 6.8 3.7 6.2 131 348 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-1.0 0.924 113.6 50.7 -56.6 -47.2 4.6 1.2 8.2 132 349 A M H ><5S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.883 102.2 59.8 -60.8 -42.7 6.6 -1.7 6.9 133 350 A C H 3<5S+ 0 0 13 -4,-2.6 -124,-0.4 1,-0.3 -1,-0.3 0.756 109.0 46.1 -53.1 -28.3 9.9 -0.1 7.8 134 351 A L T <<5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.291 122.6-103.7-103.7 8.6 8.7 -0.1 11.4 135 352 A G T < 5S+ 0 0 0 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.502 72.4 141.8 84.3 4.9 7.4 -3.7 11.4 136 353 A A < - 0 0 0 -5,-2.2 -1,-0.3 -6,-0.2 -22,-0.2 -0.700 50.3-130.8 -77.1 128.6 3.7 -2.9 11.1 137 354 A I E -d 114 0A 0 -24,-2.1 -22,-1.7 -2,-0.4 2,-0.2 -0.705 21.8-129.8 -86.4 119.8 2.1 -5.5 8.8 138 355 A P E -d 115 0A 0 0, 0.0 18,-2.6 0, 0.0 2,-0.5 -0.494 21.7-173.3 -76.6 135.0 -0.1 -3.9 6.1 139 356 A I E +de 116 156A 0 -24,-2.5 -22,-3.0 -2,-0.2 2,-0.3 -0.989 36.5 165.1-114.5 112.7 -3.7 -5.0 5.3 140 357 A A E -de 117 157A 0 16,-3.0 18,-2.6 -2,-0.5 2,-0.1 -0.945 44.9-100.9-141.9 150.6 -4.4 -2.9 2.1 141 358 A S E - e 0 158A 2 -24,-2.3 2,-2.4 -2,-0.3 18,-0.2 -0.446 42.9-117.3 -61.9 137.0 -6.6 -2.3 -0.9 142 359 A A S S+ 0 0 37 16,-3.0 2,-0.3 -2,-0.1 18,-0.2 -0.461 73.0 123.0 -77.8 70.9 -5.0 -3.7 -4.1 143 360 A V >> - 0 0 27 -2,-2.4 3,-1.3 16,-0.1 4,-1.0 -0.939 66.0 -35.4-134.5 155.0 -4.7 -0.2 -5.7 144 361 A G H >> S- 0 0 43 -2,-0.3 3,-0.8 1,-0.3 4,-0.5 0.029 124.1 -4.8 40.2-128.9 -2.1 2.0 -7.2 145 362 A G H >> S+ 0 0 5 -23,-2.5 4,-2.0 1,-0.2 3,-0.8 0.746 124.7 71.8 -66.4 -27.5 1.3 1.9 -5.5 146 363 A L H <> S+ 0 0 0 -3,-1.3 4,-2.5 -24,-0.6 -1,-0.2 0.842 93.6 56.4 -59.5 -35.9 0.0 -0.5 -2.7 147 364 A R H << S+ 0 0 171 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.827 110.2 45.2 -59.2 -36.2 -0.1 -3.3 -5.4 148 365 A D H << S+ 0 0 109 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.853 119.2 39.7 -78.1 -37.5 3.6 -2.7 -6.1 149 366 A I H < S+ 0 0 5 -4,-2.0 2,-0.4 2,-0.0 -2,-0.2 0.904 102.7 70.0 -82.5 -46.8 4.7 -2.5 -2.5 150 367 A I < + 0 0 4 -4,-2.5 2,-0.3 -5,-0.2 -21,-0.0 -0.620 59.2 176.4 -89.3 131.4 2.7 -5.2 -0.7 151 368 A T >> - 0 0 32 -2,-0.4 4,-2.4 5,-0.0 3,-1.4 -0.768 47.1-102.1-123.2 167.4 3.4 -8.9 -1.4 152 369 A N T 34 S+ 0 0 145 1,-0.3 -2,-0.0 -2,-0.3 -1,-0.0 0.654 123.3 55.1 -63.0 -17.3 2.1 -12.2 -0.0 153 370 A E T 34 S+ 0 0 110 1,-0.1 -1,-0.3 34,-0.1 34,-0.2 0.569 118.2 32.4 -87.3 -12.9 5.3 -12.4 2.0 154 371 A T T <4 S- 0 0 2 -3,-1.4 2,-0.3 1,-0.2 -2,-0.2 0.653 121.4 -25.3-121.8 -24.3 4.7 -9.0 3.6 155 372 A G < - 0 0 4 -4,-2.4 2,-0.5 -18,-0.1 -16,-0.2 -0.882 64.7 -75.3-167.4-164.5 1.0 -8.3 4.1 156 373 A I E -e 139 0A 15 -18,-2.6 -16,-3.0 -2,-0.3 2,-0.4 -0.983 32.4-158.1-122.6 127.0 -2.6 -8.9 3.0 157 374 A L E -e 140 0A 66 -2,-0.5 2,-0.3 -18,-0.2 -16,-0.2 -0.861 13.4-179.2-104.0 140.5 -4.2 -7.4 -0.1 158 375 A V E -e 141 0A 12 -18,-2.6 -16,-3.0 -2,-0.4 2,-0.3 -0.887 36.8 -90.7-132.0 160.7 -8.0 -6.9 -0.4 159 376 A K > - 0 0 136 -2,-0.3 3,-1.1 -18,-0.2 7,-0.1 -0.593 51.8-109.7 -71.7 130.1 -10.3 -5.6 -3.1 160 377 A A T 3 S+ 0 0 38 -2,-0.3 -40,-0.1 1,-0.2 -41,-0.1 -0.275 96.8 20.6 -61.3 144.4 -10.9 -1.8 -2.6 161 378 A G T 3 S+ 0 0 30 -43,-0.4 -1,-0.2 1,-0.1 -41,-0.1 0.584 90.2 118.4 77.2 13.9 -14.4 -0.8 -1.4 162 379 A D <> - 0 0 61 -3,-1.1 4,-2.1 1,-0.1 5,-0.2 -0.840 36.7-179.0-119.3 94.0 -15.4 -4.1 0.0 163 380 A P H > S+ 0 0 29 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.843 85.4 56.0 -58.7 -38.4 -16.1 -4.1 3.8 164 381 A G H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.923 108.1 46.0 -57.2 -50.5 -16.8 -7.8 3.8 165 382 A E H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 114.1 49.9 -61.2 -41.0 -13.5 -8.7 2.3 166 383 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.938 109.1 50.4 -63.6 -48.2 -11.8 -6.4 4.7 167 384 A A H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.925 111.0 50.5 -54.9 -46.2 -13.6 -7.9 7.7 168 385 A N H X S+ 0 0 102 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.888 110.5 49.2 -56.2 -43.3 -12.5 -11.3 6.5 169 386 A A H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.863 108.9 52.3 -67.5 -39.4 -8.9 -10.2 6.2 170 387 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.877 110.3 48.0 -63.6 -40.7 -8.9 -8.7 9.7 171 388 A L H X S+ 0 0 18 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.901 112.5 49.5 -65.5 -42.1 -10.2 -12.0 11.2 172 389 A K H X S+ 0 0 105 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.913 111.8 48.6 -59.9 -46.0 -7.5 -13.8 9.2 173 390 A A H >< S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.915 107.0 55.9 -63.1 -44.1 -4.9 -11.4 10.6 174 391 A L H 3< S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.866 105.3 53.3 -52.2 -39.7 -6.1 -11.8 14.1 175 392 A E H 3< S+ 0 0 124 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.586 80.9 118.2 -80.2 -12.4 -5.6 -15.6 13.9 176 393 A L << - 0 0 42 -3,-1.2 2,-0.0 -4,-0.6 -3,-0.0 -0.235 66.7-116.2 -59.6 139.7 -2.0 -15.5 12.8 177 394 A S > - 0 0 46 1,-0.1 4,-2.8 4,-0.0 5,-0.1 -0.333 21.9-113.4 -69.6 158.5 0.6 -17.1 15.2 178 395 A R H > S+ 0 0 161 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.872 120.2 54.7 -60.1 -38.0 3.4 -15.0 16.8 179 396 A S H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 110.3 45.3 -61.0 -45.0 5.9 -16.9 14.7 180 397 A D H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 111.6 52.5 -64.4 -42.5 4.0 -16.0 11.5 181 398 A L H X S+ 0 0 18 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.961 109.0 50.9 -53.6 -52.6 3.7 -12.4 12.8 182 399 A S H X S+ 0 0 74 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.871 109.9 48.9 -54.2 -44.1 7.5 -12.3 13.3 183 400 A K H X S+ 0 0 130 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.931 110.3 51.4 -64.4 -44.0 8.2 -13.6 9.8 184 401 A F H X S+ 0 0 34 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.927 110.6 48.9 -55.3 -48.3 5.8 -11.0 8.3 185 402 A R H X S+ 0 0 27 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.900 110.6 50.4 -60.3 -45.2 7.6 -8.2 10.2 186 403 A E H X S+ 0 0 107 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.931 113.5 45.0 -56.8 -49.4 11.0 -9.4 9.1 187 404 A N H X S+ 0 0 52 -4,-2.6 4,-2.8 -34,-0.2 5,-0.2 0.874 110.4 55.6 -64.0 -39.2 9.9 -9.5 5.4 188 405 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.948 110.5 43.3 -57.2 -52.9 8.3 -6.1 5.8 189 406 A K H X S+ 0 0 74 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.904 114.5 50.9 -61.3 -45.3 11.5 -4.4 6.9 190 407 A K H X S+ 0 0 129 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.933 114.1 43.5 -54.8 -51.3 13.6 -6.3 4.3 191 408 A R H X S+ 0 0 73 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.908 114.0 49.6 -65.3 -44.7 11.2 -5.2 1.5 192 409 A A H < S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.852 111.2 50.1 -61.5 -38.0 10.9 -1.6 2.7 193 410 A M H >< S+ 0 0 134 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.823 103.9 59.8 -68.0 -34.2 14.7 -1.4 3.0 194 411 A S H 3< S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.706 92.9 65.0 -68.8 -22.5 15.0 -2.7 -0.6 195 412 A F T 3< 0 0 80 -4,-0.9 -193,-0.5 -3,-0.4 -1,-0.3 0.439 360.0 360.0 -78.1 -1.3 13.0 0.3 -1.8 196 413 A S < 0 0 102 -3,-1.6 -192,-0.3 -195,-0.1 -1,-0.2 -0.034 360.0 360.0 51.8 360.0 16.0 2.2 -0.5