==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-APR-12 4EQC . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MAKSIMOSKA,R.MARMORSTEIN . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.6 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+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 1 0 0 2 2 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 3 1 2 0 0 2 1 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 0 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 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 1 A D > 0 0 118 0, 0.0 3,-1.0 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 132.6 -11.4 30.0 -11.8 2 2 A P T 3 + 0 0 91 0, 0.0 63,-0.1 0, 0.0 65,-0.0 0.536 360.0 54.0 -57.7 -14.4 -11.3 31.0 -15.6 3 3 A F T 3 S+ 0 0 186 2,-0.1 3,-0.1 63,-0.0 0, 0.0 0.564 77.7 124.0-104.0 -11.7 -14.7 32.6 -15.4 4 4 A T < - 0 0 37 -3,-1.0 61,-0.1 1,-0.1 62,-0.1 -0.193 68.3-104.2 -50.5 136.7 -13.8 34.9 -12.5 5 249 A S > - 0 0 58 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.169 17.1-114.2 -74.0 154.0 -14.4 38.5 -13.5 6 250 A D H > S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.886 118.0 45.5 -45.3 -44.1 -11.9 41.0 -14.4 7 251 A E H > S+ 0 0 70 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.785 110.9 50.8 -80.4 -27.8 -12.7 43.1 -11.2 8 252 A E H > S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.813 109.4 54.2 -74.5 -29.2 -12.7 40.1 -8.9 9 253 A I H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.937 109.2 46.8 -65.0 -46.2 -9.3 39.2 -10.3 10 254 A L H X S+ 0 0 49 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.811 110.5 52.2 -63.4 -35.1 -8.0 42.6 -9.5 11 255 A E H X S+ 0 0 106 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.901 110.0 49.1 -73.9 -39.8 -9.4 42.6 -5.9 12 256 A K H X S+ 0 0 97 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.872 112.9 46.2 -63.4 -42.5 -7.8 39.3 -5.2 13 257 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-0.2 0.875 107.3 58.5 -68.1 -37.8 -4.4 40.5 -6.5 14 258 A R H < S+ 0 0 156 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.867 106.2 49.7 -57.4 -36.6 -4.8 43.7 -4.6 15 259 A S H < S+ 0 0 88 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.8 45.3 -73.1 -30.0 -5.1 41.6 -1.4 16 260 A I H < S+ 0 0 23 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.920 100.1 77.6 -76.5 -48.2 -1.9 39.6 -2.3 17 261 A V S < S- 0 0 16 -4,-2.4 73,-0.2 1,-0.1 2,-0.2 -0.079 83.6-107.9 -67.6 154.3 0.5 42.4 -3.4 18 262 A S B -a 90 0A 48 71,-2.8 73,-0.6 1,-0.1 -1,-0.1 -0.553 49.2 -97.5 -70.9 154.1 2.5 44.8 -1.2 19 263 A V S S+ 0 0 138 -2,-0.2 -1,-0.1 71,-0.1 73,-0.1 -0.298 75.7 10.5 -71.2 150.8 1.1 48.4 -1.4 20 264 A G S S- 0 0 52 71,-0.2 71,-0.4 -2,-0.0 -2,-0.0 -0.210 98.8 -27.7 86.2-166.7 2.4 51.2 -3.5 21 265 A D > - 0 0 54 1,-0.1 3,-2.2 69,-0.1 -2,-0.1 -0.783 43.3-140.5 -98.9 130.2 4.8 51.5 -6.4 22 266 A P G >> S+ 0 0 2 0, 0.0 3,-1.8 0, 0.0 4,-0.9 0.636 99.5 72.6 -63.1 -16.9 7.7 49.0 -6.8 23 267 A K G 34 S+ 0 0 119 1,-0.3 3,-0.1 2,-0.2 23,-0.1 0.786 82.9 73.2 -66.6 -21.9 10.0 51.8 -8.0 24 268 A K G <4 S+ 0 0 91 -3,-2.2 -1,-0.3 1,-0.2 3,-0.1 0.480 112.0 26.4 -63.2 -2.7 9.8 52.7 -4.2 25 269 A K T <4 S+ 0 0 69 -3,-1.8 21,-1.0 1,-0.2 22,-0.6 0.551 115.6 54.3-137.3 -10.1 12.0 49.6 -3.8 26 270 A Y B < +F 45 0B 8 -4,-0.9 19,-0.2 19,-0.3 -1,-0.2 -0.941 34.6 163.0-139.9 155.1 14.2 48.9 -7.1 27 271 A T + 0 0 80 17,-2.3 2,-0.1 -2,-0.3 18,-0.1 0.629 54.5 82.0-140.7 -26.9 16.7 50.5 -9.5 28 272 A R + 0 0 73 16,-0.2 14,-0.2 2,-0.1 17,-0.1 0.203 58.0 179.2 -84.3 27.5 18.9 48.5 -11.9 29 273 A F + 0 0 76 -2,-0.1 2,-0.4 15,-0.1 14,-0.2 0.055 11.5 158.9 -48.6 105.7 16.3 48.0 -14.6 30 274 A E E -B 42 0A 115 12,-2.5 12,-2.8 0, 0.0 2,-0.4 -0.991 38.9-132.2-113.8 121.1 17.7 46.1 -17.5 31 275 A K E +B 41 0A 109 -2,-0.4 10,-0.3 10,-0.3 3,-0.1 -0.575 28.3 175.7 -65.2 118.4 15.0 44.4 -19.7 32 276 A I E - 0 0 91 8,-2.7 2,-0.2 -2,-0.4 9,-0.2 0.201 60.2 -13.5-114.3 16.2 16.2 40.8 -20.2 33 277 A G E -B 40 0A 30 7,-0.8 7,-1.4 2,-0.0 2,-0.3 -0.881 53.7-164.3 164.0 164.6 13.1 39.4 -22.2 34 278 A Q + 0 0 140 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.965 28.4 102.8-162.5 167.4 9.5 40.0 -23.3 35 279 A G S > S- 0 0 46 -2,-0.3 3,-1.4 1,-0.1 -2,-0.0 -0.939 76.9 -24.2 144.7-165.2 6.5 38.2 -24.7 36 280 A A T 3 S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.748 128.6 48.4 -54.3 -36.1 3.2 36.7 -23.9 37 281 A S T 3 S- 0 0 67 1,-0.3 -1,-0.3 25,-0.1 2,-0.3 0.707 123.0 -91.4 -81.3 -19.1 3.8 36.0 -20.1 38 282 A G < - 0 0 8 -3,-1.4 2,-0.5 19,-0.1 -1,-0.3 -0.850 49.6 -53.4 140.9-170.2 5.1 39.6 -19.6 39 283 A T E - C 0 56A 33 17,-2.8 17,-3.0 -2,-0.3 2,-0.4 -0.885 46.9-150.6-104.0 130.7 8.3 41.6 -19.7 40 284 A V E +BC 33 55A 33 -7,-1.4 -8,-2.7 -2,-0.5 -7,-0.8 -0.848 16.7 177.7-104.4 136.8 11.3 40.5 -17.5 41 285 A Y E -BC 31 54A 39 13,-2.9 13,-3.1 -2,-0.4 2,-0.4 -0.917 27.6-135.8-123.6 154.2 13.9 42.8 -16.0 42 286 A T E +BC 30 53A 2 -12,-2.8 -12,-2.5 -2,-0.3 2,-0.3 -0.836 40.5 160.0 -91.1 150.2 16.9 42.5 -13.9 43 287 A A E - C 0 52A 0 9,-2.1 9,-2.6 -2,-0.4 2,-0.4 -0.898 34.6-112.4-155.7 177.5 16.9 45.3 -11.2 44 288 A M E - C 0 51A 59 -2,-0.3 -17,-2.3 7,-0.2 2,-0.8 -0.994 25.1-117.5-127.1 130.5 18.5 46.0 -7.9 45 289 A D B > -F 26 0B 8 5,-3.1 4,-2.6 -2,-0.4 -19,-0.3 -0.623 26.8-149.8 -60.1 107.9 16.9 46.3 -4.5 46 290 A V T 4 S+ 0 0 87 -21,-1.0 -1,-0.2 -2,-0.8 -20,-0.2 0.770 93.0 45.3 -33.7 -49.4 17.7 50.0 -3.9 47 291 A A T 4 S+ 0 0 84 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.858 129.1 17.6 -74.3 -44.2 17.8 49.2 -0.1 48 292 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.631 91.0-124.9-111.7 -20.4 19.9 46.0 0.1 49 293 A G < + 0 0 33 -4,-2.6 -3,-0.1 1,-0.3 -23,-0.0 0.271 55.2 152.6 84.4 -10.8 21.7 45.8 -3.3 50 294 A Q - 0 0 75 -6,-0.1 -5,-3.1 1,-0.1 2,-0.4 -0.280 47.4-125.6 -46.8 125.4 20.2 42.3 -4.0 51 295 A E E -C 44 0A 69 -7,-0.2 51,-1.4 51,-0.1 2,-0.3 -0.698 37.5-173.0 -74.5 130.5 20.0 41.7 -7.8 52 296 A V E -CD 43 101A 0 -9,-2.6 -9,-2.1 -2,-0.4 2,-0.5 -0.823 25.6-132.4-127.1 160.9 16.4 40.7 -8.6 53 297 A A E -CD 42 100A 18 47,-2.5 47,-2.9 -2,-0.3 2,-0.5 -0.961 26.7-167.6-111.8 131.8 14.4 39.5 -11.5 54 298 A I E -CD 41 99A 2 -13,-3.1 -13,-2.9 -2,-0.5 2,-0.5 -0.981 11.5-158.9-129.5 125.4 11.1 41.3 -12.1 55 299 A R E -CD 40 98A 62 43,-2.8 43,-2.4 -2,-0.5 2,-0.5 -0.920 9.4-160.9 -98.0 129.5 8.3 40.4 -14.4 56 300 A Q E -CD 39 97A 39 -17,-3.0 -17,-2.8 -2,-0.5 2,-0.4 -0.924 11.5-175.1-108.1 126.3 5.9 43.2 -15.4 57 301 A M E - D 0 96A 7 39,-3.1 39,-2.9 -2,-0.5 2,-0.7 -0.989 24.0-144.9-124.7 135.1 2.5 42.2 -16.7 58 302 A N E > - D 0 95A 62 -2,-0.4 3,-1.1 37,-0.2 37,-0.2 -0.877 14.8-154.1 -89.3 112.6 -0.4 44.2 -18.2 59 303 A L G > S+ 0 0 2 35,-2.9 3,-1.3 -2,-0.7 -1,-0.1 0.744 90.4 65.7 -64.1 -26.3 -3.5 42.4 -16.9 60 304 A Q G 3 S+ 0 0 78 1,-0.3 -1,-0.3 34,-0.2 35,-0.1 0.868 106.8 41.5 -58.1 -39.4 -5.5 43.7 -19.9 61 305 A Q G < S+ 0 0 137 -3,-1.1 -1,-0.3 1,-0.0 -2,-0.2 0.059 93.0 104.3-100.2 24.8 -3.3 41.7 -22.2 62 306 A Q < - 0 0 21 -3,-1.3 3,-0.4 1,-0.1 -25,-0.1 -0.909 49.5-170.1-111.9 108.1 -3.3 38.6 -19.9 63 307 A P S S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.753 79.6 33.1 -65.7 -32.9 -5.6 35.8 -21.1 64 308 A K >> + 0 0 129 1,-0.1 3,-0.9 2,-0.0 4,-0.7 -0.670 60.9 163.2-135.2 77.4 -5.6 33.5 -18.0 65 309 A K H 3> + 0 0 22 -3,-0.4 4,-2.2 -2,-0.3 3,-0.2 0.724 69.6 69.6 -75.4 -24.2 -5.2 35.6 -14.9 66 310 A E H 3> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.800 99.4 53.5 -53.4 -37.5 -6.3 32.7 -12.5 67 311 A L H <> S+ 0 0 65 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.804 105.5 51.4 -75.6 -30.3 -3.0 31.1 -13.4 68 312 A I H X S+ 0 0 18 -4,-0.7 4,-2.0 -3,-0.2 -2,-0.2 0.949 111.6 46.9 -69.5 -48.2 -1.0 34.2 -12.4 69 313 A I H X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.955 114.2 49.1 -52.4 -56.2 -2.8 34.4 -9.0 70 314 A N H X S+ 0 0 37 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.907 107.7 54.4 -47.3 -47.4 -2.2 30.6 -8.6 71 315 A E H X S+ 0 0 38 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.920 111.3 43.4 -60.1 -46.0 1.5 31.0 -9.5 72 316 A I H X S+ 0 0 5 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.925 113.4 50.8 -64.5 -47.7 2.2 33.7 -6.9 73 317 A L H X S+ 0 0 43 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.874 112.1 48.4 -55.4 -40.4 0.2 31.9 -4.1 74 318 A V H X S+ 0 0 1 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.933 113.5 46.6 -68.2 -45.7 2.1 28.6 -4.8 75 319 A M H >< S+ 0 0 9 -4,-2.3 3,-0.8 -5,-0.3 11,-0.3 0.939 111.7 51.7 -60.9 -48.6 5.5 30.4 -4.7 76 320 A R H 3< S+ 0 0 98 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.870 117.7 36.0 -56.7 -42.5 4.6 32.3 -1.6 77 321 A E H 3< S+ 0 0 127 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.379 112.9 59.1 -99.8 2.9 3.6 29.2 0.4 78 322 A N << + 0 0 14 -4,-0.9 -1,-0.2 -3,-0.8 2,-0.1 -0.285 66.2 166.7-126.7 54.5 6.2 26.7 -1.1 79 323 A K + 0 0 97 -3,-0.4 5,-0.1 6,-0.0 6,-0.1 -0.432 9.3 160.5 -69.0 132.8 9.5 28.3 -0.2 80 324 A N > - 0 0 38 3,-0.3 3,-1.9 -2,-0.1 52,-0.1 -0.977 51.0-117.6-153.3 147.0 12.5 25.9 -0.7 81 325 A P T 3 S+ 0 0 101 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.792 118.0 48.8 -49.7 -33.2 16.3 26.1 -1.2 82 326 A N T 3 S+ 0 0 9 78,-0.1 79,-2.6 2,-0.1 2,-0.4 0.031 99.1 78.1-103.7 25.9 15.9 24.5 -4.6 83 327 A I B < S-g 161 0C 5 -3,-1.9 -3,-0.3 77,-0.3 79,-0.2 -0.999 93.8-102.3-132.3 133.7 13.1 26.8 -5.8 84 328 A V - 0 0 3 77,-2.6 2,-0.3 -2,-0.4 -2,-0.1 -0.340 49.5-109.1 -59.8 130.1 13.8 30.3 -7.1 85 329 A N - 0 0 50 -4,-0.1 16,-2.6 -6,-0.1 2,-0.5 -0.497 20.7-142.4 -71.4 126.5 12.8 32.6 -4.2 86 330 A Y E + E 0 100A 17 -2,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.750 24.2 175.6 -82.7 124.2 9.7 34.7 -4.6 87 331 A L E - 0 0 48 12,-2.8 2,-0.3 -2,-0.5 13,-0.2 0.889 48.5 -33.4 -99.1 -49.6 10.3 38.1 -3.0 88 332 A D E - E 0 99A 17 11,-1.5 11,-2.7 2,-0.0 -1,-0.3 -0.967 43.1-145.3-164.9 167.7 7.4 40.5 -3.5 89 333 A S E - E 0 98A 0 -2,-0.3 -71,-2.8 9,-0.2 2,-0.3 -0.967 11.7-169.1-148.7 154.9 4.6 41.6 -5.8 90 334 A Y E -aE 18 97A 16 7,-2.0 7,-2.7 -2,-0.3 2,-0.4 -0.954 9.4-154.8-142.0 149.9 3.0 45.0 -6.6 91 335 A L E + E 0 96A 28 -73,-0.6 2,-0.6 -71,-0.4 5,-0.2 -0.956 11.8 176.9-134.1 120.0 -0.1 46.1 -8.5 92 336 A V E > - E 0 95A 50 3,-3.0 3,-2.3 -2,-0.4 2,-0.3 -0.947 68.6 -57.7-124.3 102.4 -0.2 49.6 -10.0 93 337 A G T 3 S- 0 0 60 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.448 121.6 -17.1 58.5-119.2 -3.5 49.9 -11.9 94 338 A D T 3 S+ 0 0 83 -2,-0.3 -35,-2.9 -3,-0.1 2,-0.8 0.388 117.8 103.4 -93.0 2.9 -3.6 47.1 -14.4 95 339 A E E < -DE 58 92A 51 -3,-2.3 -3,-3.0 -37,-0.2 2,-0.4 -0.786 53.0-169.5 -97.0 108.3 0.2 46.7 -14.1 96 340 A L E -DE 57 91A 0 -39,-2.9 -39,-3.1 -2,-0.8 2,-0.4 -0.768 0.3-166.8 -95.8 135.9 1.3 43.6 -12.0 97 341 A W E -DE 56 90A 8 -7,-2.7 -7,-2.0 -2,-0.4 2,-0.5 -0.986 6.2-168.8-125.0 132.2 4.8 43.1 -10.9 98 342 A V E -DE 55 89A 19 -43,-2.4 -43,-2.8 -2,-0.4 2,-0.4 -0.985 10.1-157.6-120.2 127.0 6.4 40.0 -9.5 99 343 A V E +DE 54 88A 0 -11,-2.7 -12,-2.8 -2,-0.5 -11,-1.5 -0.895 16.4 172.4-111.0 129.1 9.9 40.2 -8.0 100 344 A M E -DE 53 86A 31 -47,-2.9 -47,-2.5 -2,-0.4 -14,-0.2 -0.865 42.0 -89.1-129.6 158.3 12.1 37.1 -7.7 101 345 A E E -D 52 0A 29 -16,-2.6 2,-0.5 -2,-0.3 -49,-0.2 -0.424 47.0-125.9 -59.7 148.9 15.7 36.4 -6.6 102 346 A Y - 0 0 65 -51,-1.4 2,-0.7 -59,-0.1 -51,-0.1 -0.902 13.2-153.9 -98.4 131.0 18.0 36.7 -9.7 103 347 A L > - 0 0 15 -2,-0.5 3,-1.6 1,-0.1 50,-0.3 -0.917 3.7-163.0-104.7 108.1 20.2 33.7 -10.5 104 348 A A T 3 S+ 0 0 24 -2,-0.7 50,-0.2 1,-0.3 -1,-0.1 0.576 78.9 76.1 -71.8 -6.4 23.1 35.1 -12.4 105 349 A G T 3 S- 0 0 7 48,-1.9 -1,-0.3 1,-0.2 49,-0.2 0.499 89.8-147.5 -84.2 -4.3 24.1 31.7 -13.7 106 350 A G < - 0 0 26 -3,-1.6 47,-2.6 47,-0.4 -1,-0.2 -0.299 39.6 -22.8 75.8-159.6 21.3 31.6 -16.3 107 351 A S B > -H 152 0C 21 45,-0.2 4,-1.0 1,-0.1 45,-0.2 -0.541 44.6-128.3 -89.2 155.1 19.5 28.5 -17.4 108 352 A L H > S+ 0 0 1 43,-1.8 4,-2.6 40,-1.1 5,-0.2 0.758 109.2 69.9 -65.7 -27.4 20.6 24.8 -17.4 109 353 A T H > S+ 0 0 26 39,-0.7 4,-2.1 42,-0.3 5,-0.2 0.932 95.6 51.8 -59.3 -45.8 19.6 24.9 -21.1 110 354 A D H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 110.9 47.9 -52.4 -44.7 22.6 27.1 -21.8 111 355 A V H X S+ 0 0 4 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.949 114.0 44.5 -64.3 -48.7 24.8 24.6 -20.0 112 356 A V H < S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.782 117.9 46.0 -68.6 -24.2 23.5 21.5 -21.8 113 357 A T H < S+ 0 0 78 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.745 124.4 28.8 -90.1 -27.3 23.6 23.3 -25.1 114 358 A E H < S+ 0 0 89 -4,-1.8 2,-0.3 -5,-0.2 -2,-0.2 0.557 119.7 36.0-114.4 -14.3 27.2 24.8 -24.8 115 359 A T S < S- 0 0 21 -4,-2.2 2,-0.5 -5,-0.2 174,-0.0 -0.820 71.9-118.8-135.2 173.7 29.1 22.5 -22.5 116 360 A C - 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0 0 5 0, 0.0 3,-1.2 0, 0.0 -32,-0.1 -0.387 59.3 -79.1 -71.2 159.5 15.4 15.8 -25.3 219 463 A P T 3 S+ 0 0 18 0, 0.0 13,-0.1 0, 0.0 21,-0.0 -0.301 115.0 14.5 -54.0 146.6 14.4 12.9 -27.6 220 464 A Y T > S+ 0 0 53 1,-0.1 3,-2.2 -3,-0.1 8,-0.2 0.632 76.8 142.9 69.1 15.8 12.4 13.9 -30.7 221 465 A L T < S+ 0 0 66 -3,-1.2 -1,-0.1 1,-0.3 -36,-0.1 0.842 70.3 55.3 -59.6 -35.7 13.2 17.6 -30.4 222 466 A N T 3 S+ 0 0 101 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.551 94.8 92.0 -72.2 -12.7 13.5 17.9 -34.2 223 467 A E S < S- 0 0 73 -3,-2.2 3,-0.0 1,-0.1 0, 0.0 -0.533 92.3 -99.6 -79.8 150.6 10.0 16.5 -34.5 224 468 A N >> - 0 0 93 -2,-0.2 4,-2.3 1,-0.1 3,-1.2 -0.510 40.3-116.1 -58.0 138.7 6.8 18.6 -34.6 225 469 A P H 3> S+ 0 0 51 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 114.7 59.3 -51.7 -42.1 5.4 18.5 -31.1 226 470 A L H 3> S+ 0 0 143 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.833 109.9 42.3 -55.1 -37.5 2.3 16.7 -32.3 227 471 A R H <> S+ 0 0 150 -3,-1.2 4,-2.7 2,-0.2 3,-0.3 0.919 109.5 58.6 -75.1 -42.1 4.4 13.8 -33.6 228 472 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.912 104.2 51.2 -53.8 -48.7 6.7 13.8 -30.5 229 473 A L H X S+ 0 0 27 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.855 111.3 46.4 -56.9 -42.3 3.6 13.1 -28.2 230 474 A Y H X S+ 0 0 158 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.870 113.7 51.8 -62.9 -40.8 2.5 10.1 -30.4 231 475 A L H X S+ 0 0 29 -4,-2.7 4,-3.7 2,-0.2 5,-0.5 0.882 108.3 49.0 -65.3 -42.5 6.1 9.0 -30.3 232 476 A I H X S+ 0 0 7 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.962 114.3 46.0 -61.8 -47.4 6.4 9.2 -26.5 233 477 A A H < S+ 0 0 30 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 123.1 35.7 -65.7 -35.8 3.2 7.2 -26.1 234 478 A T H < S+ 0 0 76 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.778 122.3 40.5 -92.3 -29.0 4.3 4.6 -28.7 235 479 A N H < S- 0 0 86 -4,-3.7 2,-0.3 1,-0.2 -3,-0.2 0.761 86.0-172.3 -83.6 -27.7 8.1 4.4 -28.1 236 480 A G < + 0 0 8 -4,-2.1 -1,-0.2 -5,-0.5 -2,-0.1 -0.586 61.1 31.6 74.0-131.9 7.7 4.5 -24.3 237 481 A T S S- 0 0 50 -2,-0.3 22,-0.1 1,-0.1 18,-0.0 -0.409 95.5-120.5 -60.2 120.3 11.1 4.7 -22.5 238 482 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.274 21.9-121.2 -72.0 155.8 13.3 6.7 -24.9 239 483 A E - 0 0 111 2,-0.0 2,-0.2 1,-0.0 3,-0.0 -0.737 20.9-123.4 -99.4 141.5 16.5 5.1 -26.2 240 484 A L - 0 0 40 -2,-0.3 -29,-0.0 1,-0.1 -1,-0.0 -0.619 9.5-134.4 -82.9 148.5 19.9 6.7 -25.6 241 485 A Q S S+ 0 0 131 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.909 101.4 9.1 -60.4 -49.8 22.2 7.5 -28.5 242 486 A N > + 0 0 69 1,-0.1 3,-1.7 -3,-0.0 4,-0.3 -0.611 67.7 166.9-138.5 70.3 25.3 6.0 -26.8 243 487 A P G > S+ 0 0 52 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.814 74.4 67.2 -59.2 -29.7 24.3 4.0 -23.6 244 488 A E G 3 S+ 0 0 119 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.661 90.0 63.6 -65.2 -19.6 27.7 2.4 -23.4 245 489 A K G < S+ 0 0 153 -3,-1.7 -1,-0.3 2,-0.1 2,-0.2 0.681 93.0 83.4 -78.5 -12.4 29.3 5.7 -22.6 246 490 A L S < S- 0 0 19 -3,-1.7 2,-0.1 -4,-0.3 -32,-0.0 -0.574 85.7-109.0 -96.4 152.1 27.3 5.9 -19.4 247 491 A S > - 0 0 40 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.389 30.8-115.8 -70.7 154.1 28.1 4.3 -16.0 248 492 A A H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.844 115.7 51.8 -57.5 -34.3 25.9 1.4 -14.9 249 493 A I H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.859 109.3 49.4 -79.8 -31.9 24.6 3.3 -11.9 250 494 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.890 110.0 51.0 -67.1 -41.3 23.6 6.3 -14.1 251 495 A R H X S+ 0 0 88 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.915 110.9 49.7 -65.4 -37.1 21.9 4.0 -16.6 252 496 A D H X S+ 0 0 59 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.932 109.1 51.4 -63.6 -48.9 20.0 2.5 -13.6 253 497 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 3,-0.2 0.941 110.8 48.4 -49.1 -52.0 19.0 6.0 -12.4 254 498 A L H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.911 109.6 52.3 -60.0 -44.3 17.6 6.9 -15.9 255 499 A N H < S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.837 108.4 51.4 -60.4 -34.9 15.7 3.7 -16.1 256 500 A R H >< S+ 0 0 130 -4,-1.9 10,-1.9 -3,-0.2 3,-0.6 0.861 113.6 43.8 -69.5 -36.9 14.1 4.5 -12.7 257 501 A C H 3< S+ 0 0 0 -4,-1.9 -50,-0.2 1,-0.2 -2,-0.2 0.844 118.8 43.8 -69.7 -37.9 13.1 8.0 -13.8 258 502 A L T 3< S+ 0 0 5 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.2 -0.012 76.4 143.0-109.0 28.7 11.8 6.8 -17.2 259 503 A E < - 0 0 51 -3,-0.6 6,-0.2 1,-0.1 -3,-0.1 -0.510 46.2-145.3 -63.6 128.5 9.9 3.7 -16.2 260 504 A M S S+ 0 0 70 -2,-0.3 2,-0.7 4,-0.1 -1,-0.1 0.875 85.6 76.3 -62.8 -34.6 6.7 3.3 -18.3 261 505 A D S > S- 0 0 75 1,-0.2 4,-2.2 2,-0.0 3,-0.2 -0.660 73.2-154.7 -85.5 112.6 4.9 1.8 -15.3 262 506 A V T 4 S+ 0 0 33 -2,-0.7 -1,-0.2 1,-0.2 -3,-0.1 0.912 93.6 54.8 -58.5 -42.8 4.0 4.7 -13.0 263 507 A E T 4 S+ 0 0 172 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.909 113.4 41.4 -51.7 -46.0 3.9 2.4 -10.0 264 508 A K T 4 S+ 0 0 148 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.757 92.7 99.5 -78.8 -27.8 7.4 1.2 -10.7 265 509 A R S < S- 0 0 0 -4,-2.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.332 86.2-101.5 -56.1 140.3 8.8 4.6 -11.6 266 510 A G - 0 0 5 -10,-1.9 2,-0.2 -63,-0.1 -63,-0.1 -0.323 26.6-133.3 -64.7 146.6 10.7 6.1 -8.7 267 511 A S > - 0 0 31 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.533 31.3-106.5 -82.8 167.5 9.2 8.8 -6.5 268 512 A A H > S+ 0 0 1 -2,-0.2 4,-1.9 1,-0.2 -134,-0.2 0.923 122.5 53.1 -62.0 -43.7 11.3 11.8 -5.7 269 513 A K H 4 S+ 0 0 135 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.931 111.4 45.7 -54.2 -49.8 11.8 10.5 -2.1 270 514 A E H >4 S+ 0 0 120 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.909 111.8 51.2 -60.8 -43.3 13.0 7.1 -3.4 271 515 A L H >< S+ 0 0 3 -4,-2.3 3,-1.1 1,-0.3 6,-0.3 0.784 95.5 67.7 -72.7 -24.7 15.3 8.6 -6.0 272 516 A L T 3< S+ 0 0 45 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.720 100.9 53.7 -60.3 -18.7 17.0 10.9 -3.4 273 517 A Q T < S+ 0 0 137 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.612 83.3 121.7 -92.4 -11.1 18.3 7.5 -2.0 274 518 A H X> - 0 0 18 -3,-1.1 3,-0.9 -4,-0.3 4,-0.5 -0.117 65.5-134.8 -58.9 137.1 19.8 6.4 -5.4 275 519 A Q G >4 S+ 0 0 134 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.769 100.1 71.9 -67.2 -23.7 23.5 5.7 -5.5 276 520 A F G >4 S+ 0 0 0 -27,-0.3 3,-1.5 1,-0.2 -1,-0.2 0.901 93.7 56.1 -54.8 -38.5 23.9 7.6 -8.7 277 521 A L G X4 S+ 0 0 9 -3,-0.9 3,-1.5 -6,-0.3 -1,-0.2 0.752 93.7 71.2 -68.4 -21.3 23.4 10.9 -6.6 278 522 A K G << S+ 0 0 143 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.654 89.2 59.0 -69.3 -16.3 26.3 9.7 -4.4 279 523 A I G < S+ 0 0 71 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.403 79.0 138.4 -90.1 2.8 28.9 10.4 -7.1 280 524 A A < - 0 0 23 -3,-1.5 -159,-0.2 -157,-0.2 -160,-0.1 -0.170 49.2-138.4 -49.7 126.7 27.7 14.1 -7.1 281 525 A K - 0 0 87 -161,-2.2 -1,-0.1 1,-0.1 5,-0.1 -0.511 40.8 -79.3 -74.3 160.0 30.5 16.5 -7.4 282 526 A P > - 0 0 90 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.253 43.5-116.9 -54.1 150.4 30.3 19.6 -5.2 283 527 A L G > S+ 0 0 36 1,-0.3 3,-2.2 2,-0.2 4,-0.2 0.821 113.2 72.2 -66.5 -28.3 27.9 22.1 -6.9 284 528 A S G > S+ 0 0 71 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.746 81.7 74.9 -48.6 -28.5 30.9 24.5 -7.2 285 529 A S G < S+ 0 0 25 -3,-1.9 4,-0.3 1,-0.3 -1,-0.3 0.687 86.6 61.5 -59.8 -19.9 32.1 22.1 -9.9 286 530 A L G X> S+ 0 0 5 -3,-2.2 4,-2.0 -4,-0.2 3,-0.8 0.650 80.5 88.2 -79.5 -15.2 29.3 23.5 -12.2 287 531 A T H <> S+ 0 0 48 -3,-1.8 4,-2.6 1,-0.3 5,-0.2 0.891 84.3 49.8 -63.5 -40.2 30.8 27.0 -12.1 288 532 A P H 3> S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.830 112.9 48.5 -64.8 -27.6 33.2 26.7 -15.1 289 533 A L H <> S+ 0 0 21 -3,-0.8 4,-2.6 -4,-0.3 -2,-0.2 0.872 112.3 48.3 -73.8 -39.5 30.4 25.2 -17.2 290 534 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.893 115.2 44.9 -63.3 -43.2 28.0 28.1 -16.2 291 535 A A H X S+ 0 0 47 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.880 113.5 49.7 -74.2 -38.3 30.8 30.6 -17.0 292 536 A A H X S+ 0 0 54 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.903 114.1 45.6 -64.7 -42.6 31.7 28.9 -20.3 293 537 A A H X S+ 0 0 2 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.853 109.7 53.8 -66.5 -39.7 28.0 28.8 -21.3 294 538 A K H >< S+ 0 0 95 -4,-2.1 3,-0.7 2,-0.2 -2,-0.2 0.953 110.6 49.3 -58.8 -47.5 27.4 32.5 -20.3 295 539 A E H 3< S+ 0 0 164 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.934 112.4 45.3 -56.2 -53.3 30.4 33.3 -22.5 296 540 A A H 3< 0 0 61 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.680 360.0 360.0 -60.2 -18.4 29.0 31.3 -25.6 297 541 A T << 0 0 99 -4,-1.1 -3,-0.0 -3,-0.7 -187,-0.0 -0.273 360.0 360.0-120.7 360.0 25.5 32.8 -25.2