==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JAN-09 3FXZ . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.MAKSIMOSKA,R.MARMORSTEIN,E.MEGGERS . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 14.7 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 . 3 1.0 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.1 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 0 1 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 1 0 1 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 1 249 A S > 0 0 107 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 147.6 -40.9 38.4 -13.6 2 250 A D H > + 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.854 360.0 52.2 -62.7 -36.5 -38.2 41.1 -14.3 3 251 A E H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 110.1 47.2 -67.5 -40.1 -39.2 43.1 -11.2 4 252 A E H > S+ 0 0 146 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.866 109.1 54.8 -71.2 -37.2 -39.0 40.1 -8.9 5 253 A I H X S+ 0 0 37 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 110.4 47.0 -56.2 -48.9 -35.6 39.2 -10.3 6 254 A L H X S+ 0 0 59 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.916 111.5 49.8 -62.1 -43.2 -34.4 42.7 -9.5 7 255 A E H X S+ 0 0 110 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.905 111.3 49.4 -64.2 -40.7 -35.9 42.7 -5.9 8 256 A K H X S+ 0 0 97 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.940 112.5 47.2 -60.0 -49.0 -34.2 39.3 -5.3 9 257 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.918 106.6 58.4 -60.5 -42.5 -30.9 40.6 -6.5 10 258 A R H < S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.881 106.4 49.4 -53.5 -41.4 -31.3 43.8 -4.4 11 259 A S H < S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.7 45.8 -66.4 -34.1 -31.5 41.6 -1.3 12 260 A I H < S+ 0 0 21 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.880 100.4 79.1 -74.9 -41.6 -28.4 39.6 -2.2 13 261 A V S < S- 0 0 19 -4,-2.5 73,-0.2 -5,-0.1 2,-0.2 -0.202 81.3-110.1 -79.1 160.2 -26.1 42.5 -3.2 14 262 A S B -a 86 0A 47 71,-2.9 73,-0.5 1,-0.1 -1,-0.1 -0.477 50.4 -94.6 -73.6 155.2 -24.0 44.9 -1.2 15 263 A V S S+ 0 0 139 -2,-0.2 -1,-0.1 71,-0.1 73,-0.1 -0.366 75.6 1.8 -79.5 152.1 -25.4 48.4 -1.3 16 264 A G S S- 0 0 51 71,-0.2 71,-0.4 -2,-0.1 -2,-0.0 -0.266 99.2 -22.1 82.8-159.7 -24.2 51.3 -3.6 17 265 A D > - 0 0 69 1,-0.1 3,-1.5 69,-0.1 4,-0.1 -0.690 44.9-136.0 -94.1 140.4 -21.7 51.5 -6.4 18 266 A P G >> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-2.0 0.754 99.3 74.8 -65.0 -20.4 -18.8 49.1 -6.8 19 267 A K G 34 S+ 0 0 83 1,-0.3 -3,-0.0 2,-0.2 -2,-0.0 0.566 84.1 67.3 -69.9 -6.4 -16.4 52.0 -7.6 20 268 A K G <4 S+ 0 0 93 -3,-1.5 -1,-0.3 1,-0.1 3,-0.1 0.522 115.8 24.8 -87.1 -8.2 -16.5 52.9 -3.9 21 269 A K T <4 S+ 0 0 74 -3,-2.0 21,-2.8 1,-0.2 22,-0.4 0.588 118.8 55.9-124.3 -22.2 -14.6 49.6 -3.1 22 270 A Y B < +F 41 0B 5 -4,-2.0 19,-0.2 19,-0.2 -1,-0.2 -0.920 53.0 170.9-126.5 142.4 -12.7 48.8 -6.3 23 271 A T + 0 0 75 17,-2.8 2,-2.6 -2,-0.4 -1,-0.1 0.813 54.5 54.0-115.5 -81.0 -10.2 50.9 -8.3 24 272 A R - 0 0 200 16,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.335 66.4-171.6 -76.5 69.7 -7.8 50.0 -11.2 25 273 A F + 0 0 62 -2,-2.6 2,-0.4 14,-0.1 14,-0.2 -0.404 8.6 174.6 -64.2 123.8 -10.4 48.6 -13.6 26 274 A E E -B 38 0A 47 12,-2.8 12,-2.8 -2,-0.2 2,-0.3 -0.989 29.6-123.9-132.3 125.9 -8.9 46.9 -16.7 27 275 A K E +B 37 0A 80 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.479 32.5 167.5 -71.0 128.8 -11.0 45.0 -19.3 28 276 A I E + 0 0 102 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.491 65.4 3.3-116.9 -9.8 -10.0 41.4 -20.0 29 277 A G E -B 36 0A 28 7,-1.5 7,-2.7 2,-0.0 -1,-0.3 -0.967 53.0-168.5-168.6 156.6 -13.0 40.2 -22.0 30 278 A Q E +B 35 0A 84 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.974 28.3 110.3-151.6 138.8 -16.4 41.2 -23.5 31 279 A G E > S-B 34 0A 53 3,-1.2 3,-0.7 -2,-0.3 -2,-0.0 -0.872 79.7 -53.1-168.1-154.9 -19.3 39.3 -25.0 32 280 A A T 3 S+ 0 0 98 -2,-0.2 3,-0.1 1,-0.2 25,-0.0 0.711 128.4 65.1 -72.2 -24.1 -23.0 38.3 -24.6 33 281 A S T 3 S- 0 0 72 1,-0.3 -1,-0.2 25,-0.1 2,-0.2 0.637 118.7-109.9 -66.7 -17.7 -21.9 37.0 -21.2 34 282 A G E < -B 31 0A 15 -3,-0.7 -3,-1.2 19,-0.1 2,-0.4 -0.626 45.8 -48.3 109.5-174.6 -21.1 40.6 -20.2 35 283 A T E -BC 30 52A 38 17,-2.3 17,-3.4 -5,-0.2 2,-0.4 -0.815 47.6-155.8-100.9 137.6 -17.8 42.5 -19.7 36 284 A V E +BC 29 51A 41 -7,-2.7 -8,-2.9 -2,-0.4 -7,-1.5 -0.938 15.6 177.8-116.1 135.4 -15.1 41.1 -17.5 37 285 A Y E -BC 27 50A 48 13,-2.7 13,-2.9 -2,-0.4 2,-0.3 -0.899 27.4-135.4-126.7 156.0 -12.4 43.2 -15.7 38 286 A T E +BC 26 49A 13 -12,-2.8 -12,-2.8 -2,-0.3 2,-0.3 -0.820 39.2 161.2 -95.9 154.4 -9.6 42.9 -13.4 39 287 A A E - C 0 48A 3 9,-2.1 9,-3.2 -2,-0.3 2,-0.4 -0.944 35.0-108.1-159.1 174.9 -9.5 45.5 -10.6 40 288 A M E - C 0 47A 18 -2,-0.3 -17,-2.8 7,-0.2 2,-0.5 -0.966 23.7-124.7-119.9 131.9 -8.0 46.2 -7.2 41 289 A D B > -F 22 0B 9 5,-3.0 4,-2.2 -2,-0.4 -19,-0.2 -0.645 21.3-145.9 -69.2 120.4 -9.8 46.2 -3.9 42 290 A V T 4 S+ 0 0 94 -21,-2.8 -1,-0.2 -2,-0.5 -20,-0.1 0.820 92.1 41.4 -59.5 -36.2 -9.1 49.7 -2.4 43 291 A A T 4 S+ 0 0 88 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.905 126.8 25.3 -82.6 -45.5 -8.9 48.4 1.2 44 292 A T T 4 S- 0 0 98 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.613 92.9-126.4-100.0 -18.0 -7.0 45.1 1.0 45 293 A G < + 0 0 58 -4,-2.2 -3,-0.1 1,-0.3 -2,-0.0 0.398 56.0 154.8 84.0 -1.5 -5.0 45.6 -2.2 46 294 A Q - 0 0 75 -6,-0.1 -5,-3.0 -5,-0.1 2,-0.5 -0.307 45.0-129.3 -64.3 135.5 -6.4 42.3 -3.5 47 295 A E E -C 40 0A 104 -7,-0.2 51,-0.9 51,-0.1 2,-0.3 -0.755 37.9-178.9 -82.6 130.4 -6.5 41.9 -7.3 48 296 A V E -CD 39 97A 0 -9,-3.2 -9,-2.1 -2,-0.5 2,-0.4 -0.813 28.9-126.8-128.2 164.2 -10.0 40.8 -8.2 49 297 A A E -CD 38 96A 15 47,-2.8 47,-3.5 -2,-0.3 2,-0.5 -0.961 25.1-163.8-111.3 133.2 -12.1 39.8 -11.3 50 298 A I E -CD 37 95A 0 -13,-2.9 -13,-2.7 -2,-0.4 2,-0.5 -0.976 7.2-157.4-123.9 123.6 -15.3 41.7 -11.8 51 299 A R E -CD 36 94A 46 43,-2.8 43,-2.5 -2,-0.5 2,-0.5 -0.860 9.5-162.2 -96.1 127.6 -18.1 40.6 -14.2 52 300 A Q E +CD 35 93A 38 -17,-3.4 -17,-2.3 -2,-0.5 2,-0.4 -0.974 12.3 179.9-113.2 123.1 -20.4 43.4 -15.3 53 301 A M E - D 0 92A 2 39,-2.9 39,-2.8 -2,-0.5 2,-0.7 -0.982 26.8-142.2-125.8 132.2 -23.8 42.4 -16.8 54 302 A N E > - D 0 91A 60 -2,-0.4 3,-1.4 37,-0.2 37,-0.2 -0.836 15.1-156.6 -86.9 117.4 -26.7 44.4 -18.1 55 303 A L G > S+ 0 0 3 35,-3.2 3,-1.1 -2,-0.7 -1,-0.1 0.746 85.8 71.1 -69.3 -26.5 -29.7 42.5 -16.9 56 304 A Q G 3 S+ 0 0 86 34,-0.3 -1,-0.3 1,-0.2 35,-0.1 0.642 111.7 32.7 -62.4 -15.7 -32.0 44.0 -19.7 57 305 A Q G < S+ 0 0 138 -3,-1.4 -1,-0.2 -25,-0.0 -2,-0.2 0.194 90.4 104.2-128.2 13.2 -30.0 41.7 -22.1 58 306 A Q < - 0 0 37 -3,-1.1 3,-0.4 1,-0.1 -25,-0.1 -0.895 54.4-164.6 -93.8 117.4 -29.2 38.7 -19.8 59 307 A P S S+ 0 0 116 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.772 76.7 37.4 -82.8 -28.3 -31.7 36.1 -21.0 60 308 A K >> + 0 0 154 1,-0.1 3,-0.8 2,-0.0 4,-0.6 -0.714 64.4 161.6-123.7 77.7 -31.6 33.5 -18.1 61 309 A K H 3> + 0 0 33 -2,-0.4 4,-1.9 -3,-0.4 3,-0.3 0.738 67.3 69.6 -76.4 -23.7 -31.4 35.6 -15.0 62 310 A E H 3> S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.837 95.6 59.3 -56.3 -33.0 -32.5 32.9 -12.6 63 311 A L H <> S+ 0 0 75 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.882 102.9 49.5 -66.7 -39.1 -29.2 31.3 -13.4 64 312 A I H X S+ 0 0 8 -4,-0.6 4,-2.5 -3,-0.3 -2,-0.2 0.904 111.1 48.8 -67.8 -41.6 -27.2 34.3 -12.1 65 313 A I H X S+ 0 0 19 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.955 114.0 47.2 -60.1 -51.3 -29.2 34.4 -8.9 66 314 A N H X S+ 0 0 47 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.916 110.9 52.3 -51.6 -47.9 -28.6 30.6 -8.5 67 315 A E H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.937 112.6 43.6 -59.2 -47.3 -24.9 31.0 -9.3 68 316 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.939 115.0 48.7 -66.6 -45.0 -24.4 33.7 -6.7 69 317 A L H X S+ 0 0 41 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.880 113.9 46.4 -62.9 -42.0 -26.4 31.9 -4.0 70 318 A V H X S+ 0 0 2 -4,-2.9 4,-0.6 -5,-0.2 3,-0.2 0.945 114.9 46.1 -65.0 -44.4 -24.6 28.6 -4.6 71 319 A M H >< S+ 0 0 10 -4,-2.6 3,-1.1 -5,-0.3 11,-0.3 0.905 108.7 55.9 -67.9 -40.2 -21.1 30.2 -4.6 72 320 A R H 3< S+ 0 0 103 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.859 115.0 38.4 -57.5 -38.1 -21.8 32.3 -1.5 73 321 A E H 3< S+ 0 0 129 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.359 113.6 55.1-101.0 5.6 -22.7 29.2 0.5 74 322 A N << + 0 0 14 -3,-1.1 -1,-0.2 -4,-0.6 2,-0.2 -0.373 67.2 165.7-134.8 54.8 -20.1 26.8 -0.9 75 323 A K + 0 0 92 -3,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.527 9.4 164.4 -72.3 138.8 -16.7 28.5 -0.4 76 324 A N > - 0 0 36 3,-0.3 3,-2.3 -2,-0.2 52,-0.1 -0.977 49.0-117.7-156.6 143.2 -13.7 26.2 -0.8 77 325 A P T 3 S+ 0 0 100 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.724 117.1 50.9 -48.3 -30.1 -9.9 26.5 -1.3 78 326 A N T 3 S+ 0 0 11 78,-0.1 79,-2.6 2,-0.1 2,-0.4 0.122 99.0 77.6-102.7 21.1 -10.3 24.8 -4.7 79 327 A I B < S-g 157 0C 8 -3,-2.3 -3,-0.3 77,-0.3 2,-0.2 -0.995 93.5-105.2-128.5 132.6 -13.1 27.0 -5.9 80 328 A V - 0 0 6 77,-2.5 2,-0.1 -2,-0.4 -2,-0.1 -0.419 51.3-111.1 -56.7 120.2 -12.5 30.5 -7.3 81 329 A N - 0 0 52 -2,-0.2 16,-3.2 -4,-0.1 2,-0.5 -0.380 18.4-142.4 -63.7 122.3 -13.8 32.7 -4.3 82 330 A Y E + E 0 96A 14 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.816 26.9 175.6 -75.7 128.5 -17.1 34.7 -4.9 83 331 A L E - 0 0 49 12,-3.0 2,-0.3 -2,-0.5 13,-0.2 0.810 44.7 -38.7-107.3 -46.8 -16.4 37.9 -3.0 84 332 A D E - E 0 95A 17 11,-1.7 11,-3.1 2,-0.0 -1,-0.4 -0.982 43.3-140.7-169.5 173.3 -19.3 40.4 -3.4 85 333 A S E - E 0 94A 0 -2,-0.3 -71,-2.9 9,-0.2 2,-0.3 -0.989 7.1-167.1-154.0 157.0 -21.9 41.8 -5.7 86 334 A Y E -aE 14 93A 15 7,-2.0 7,-2.9 -2,-0.3 2,-0.4 -0.967 8.1-153.7-140.0 150.4 -23.5 45.2 -6.5 87 335 A L E + E 0 92A 28 -73,-0.5 2,-0.5 -71,-0.4 5,-0.2 -0.982 10.8 179.1-132.2 120.2 -26.6 46.3 -8.4 88 336 A V E > - E 0 91A 50 3,-3.1 3,-2.5 -2,-0.4 2,-0.4 -0.930 66.1 -60.5-120.6 105.7 -26.8 49.7 -10.0 89 337 A G T 3 S- 0 0 63 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.491 122.7 -14.4 58.3-117.2 -30.1 50.1 -11.9 90 338 A D T 3 S+ 0 0 47 -2,-0.4 -35,-3.2 -3,-0.1 2,-0.6 0.360 118.7 99.3 -92.1 0.2 -30.0 47.3 -14.5 91 339 A E E < -DE 54 88A 55 -3,-2.5 -3,-3.1 -37,-0.2 2,-0.4 -0.827 53.4-166.8-106.4 116.2 -26.3 46.7 -14.1 92 340 A L E -DE 53 87A 0 -39,-2.8 -39,-2.9 -2,-0.6 2,-0.4 -0.830 0.9-164.7-101.6 134.0 -25.1 43.8 -12.0 93 341 A W E -DE 52 86A 20 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.5 -0.980 0.8-167.4-117.5 128.6 -21.5 43.5 -10.8 94 342 A V E -DE 51 85A 0 -43,-2.5 -43,-2.8 -2,-0.4 2,-0.5 -0.985 10.0-153.2-119.3 122.7 -20.1 40.2 -9.5 95 343 A V E +DE 50 84A 0 -11,-3.1 -12,-3.0 -2,-0.5 -11,-1.7 -0.846 20.2 174.6-104.1 126.2 -16.8 40.4 -7.8 96 344 A M E -DE 49 82A 15 -47,-3.5 -47,-2.8 -2,-0.5 -14,-0.2 -0.860 38.9 -90.2-128.2 157.7 -14.5 37.3 -7.7 97 345 A E E -D 48 0A 32 -16,-3.2 2,-0.5 -2,-0.3 -49,-0.2 -0.378 46.2-136.0 -56.4 141.9 -11.1 36.1 -6.7 98 346 A Y - 0 0 66 -51,-0.9 2,-0.5 -50,-0.0 -51,-0.1 -0.949 16.0-166.4-110.7 131.8 -8.6 36.6 -9.6 99 347 A L > - 0 0 19 -2,-0.5 3,-0.6 51,-0.1 50,-0.2 -0.982 5.6-161.3-115.6 122.1 -6.1 34.0 -10.6 100 348 A A T 3 S+ 0 0 24 -2,-0.5 50,-0.2 1,-0.2 -1,-0.1 0.432 73.0 81.0 -87.4 -0.3 -3.4 35.3 -13.0 101 349 A G T 3 S- 0 0 4 48,-1.9 -1,-0.2 1,-0.3 49,-0.2 0.315 87.9-134.5 -91.9 10.3 -2.1 32.1 -14.4 102 350 A G < - 0 0 24 -3,-0.6 47,-2.6 47,-0.2 -1,-0.3 -0.236 40.8 -39.5 71.2-160.8 -4.9 31.5 -17.0 103 351 A S B >> -H 148 0C 17 45,-0.2 4,-1.5 1,-0.1 3,-0.6 -0.617 43.9-114.0-103.6 161.3 -6.7 28.3 -17.6 104 352 A L H 3> S+ 0 0 1 43,-2.5 4,-3.1 40,-0.9 5,-0.2 0.827 115.5 65.6 -57.0 -30.8 -5.7 24.6 -17.7 105 353 A T H 3> S+ 0 0 29 39,-0.9 4,-1.9 42,-0.3 -1,-0.2 0.926 98.8 51.2 -59.8 -42.9 -6.6 24.7 -21.4 106 354 A D H <> S+ 0 0 54 -3,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.917 112.5 47.7 -58.7 -45.1 -3.7 27.2 -22.0 107 355 A V H >X S+ 0 0 4 -4,-1.5 4,-1.9 1,-0.2 3,-0.5 0.939 113.4 45.2 -61.7 -50.1 -1.4 24.8 -20.2 108 356 A V H 3< S+ 0 0 10 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.769 116.8 45.6 -70.4 -22.6 -2.5 21.6 -22.0 109 357 A T H 3< S+ 0 0 76 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.636 123.8 31.5 -89.4 -16.0 -2.4 23.3 -25.5 110 358 A E H << S+ 0 0 95 -4,-1.2 2,-0.3 -3,-0.5 -2,-0.2 0.560 119.2 34.8-119.6 -14.6 1.0 25.0 -25.0 111 359 A T S < S- 0 0 23 -4,-1.9 2,-0.6 -5,-0.2 174,-0.0 -0.819 71.8-114.6-138.9 171.7 3.0 22.7 -22.8 112 360 A C - 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0 0 5 0, 0.0 3,-1.3 0, 0.0 -32,-0.1 -0.444 58.8 -80.3 -73.6 160.3 -10.6 15.7 -25.4 215 463 A P T 3 S+ 0 0 21 0, 0.0 13,-0.1 0, 0.0 -7,-0.0 -0.332 114.7 15.1 -57.5 143.8 -11.6 12.8 -27.7 216 464 A Y T > S+ 0 0 59 -3,-0.1 3,-2.1 1,-0.1 8,-0.2 0.594 76.0 142.1 70.7 15.4 -13.6 13.9 -30.8 217 465 A L T < + 0 0 69 -3,-1.3 -1,-0.1 1,-0.3 7,-0.1 0.863 69.8 56.5 -53.1 -38.0 -12.7 17.6 -30.6 218 466 A N T 3 S+ 0 0 104 2,-0.1 -1,-0.3 6,-0.0 2,-0.2 0.509 95.8 87.5 -75.0 -6.2 -12.5 17.8 -34.4 219 467 A E S < S- 0 0 75 -3,-2.1 0, 0.0 1,-0.1 0, 0.0 -0.633 94.4 -92.9 -94.9 152.2 -16.0 16.5 -34.8 220 468 A N >> - 0 0 94 -2,-0.2 4,-2.5 1,-0.1 3,-1.0 -0.395 39.9-119.5 -55.9 134.5 -19.2 18.5 -34.8 221 469 A P H 3> S+ 0 0 54 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.839 115.0 58.0 -53.0 -34.6 -20.5 18.5 -31.2 222 470 A L H 3> S+ 0 0 146 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.895 110.2 42.7 -56.5 -44.2 -23.7 16.7 -32.4 223 471 A R H <> S+ 0 0 159 -3,-1.0 4,-2.6 2,-0.2 3,-0.2 0.912 108.9 58.4 -72.3 -43.3 -21.5 13.9 -33.8 224 472 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.902 104.3 51.6 -50.1 -45.7 -19.3 13.8 -30.7 225 473 A L H X S+ 0 0 26 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.866 109.9 48.1 -66.5 -36.8 -22.3 13.1 -28.4 226 474 A Y H X S+ 0 0 151 -4,-1.1 4,-2.2 -3,-0.2 -1,-0.2 0.914 113.1 49.7 -64.3 -43.8 -23.5 10.2 -30.5 227 475 A L H X S+ 0 0 32 -4,-2.6 4,-3.0 2,-0.2 5,-0.5 0.886 109.2 51.0 -61.9 -41.6 -19.9 8.8 -30.5 228 476 A I H X S+ 0 0 6 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.942 112.9 46.0 -60.5 -48.1 -19.6 9.2 -26.7 229 477 A A H < S+ 0 0 29 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.850 122.3 35.7 -62.7 -37.9 -22.9 7.3 -26.3 230 478 A T H < S+ 0 0 78 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.761 123.4 39.3 -92.9 -29.7 -22.0 4.5 -28.8 231 479 A N H < S- 0 0 94 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.2 0.762 85.0-175.0 -88.2 -30.3 -18.2 4.1 -28.1 232 480 A G < + 0 0 6 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.1 -0.531 58.5 36.7 71.9-128.8 -18.4 4.5 -24.4 233 481 A T S S- 0 0 53 -2,-0.3 22,-0.1 1,-0.1 18,-0.0 -0.395 91.4-124.3 -62.3 119.7 -15.0 4.6 -22.6 234 482 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.341 18.0-126.0 -71.0 148.3 -12.6 6.5 -24.9 235 483 A E - 0 0 106 -2,-0.0 2,-0.2 1,-0.0 3,-0.0 -0.738 18.9-125.8 -93.1 139.3 -9.4 4.9 -26.1 236 484 A L - 0 0 31 -2,-0.3 -1,-0.0 1,-0.1 -29,-0.0 -0.540 11.6-131.7 -78.5 150.9 -6.0 6.6 -25.6 237 485 A Q S S+ 0 0 139 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.899 102.0 12.8 -67.5 -40.9 -3.7 7.1 -28.6 238 486 A N > + 0 0 74 1,-0.1 3,-1.8 2,-0.0 4,-0.3 -0.551 68.2 164.0-136.3 70.2 -0.7 5.7 -26.8 239 487 A P G > S+ 0 0 53 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.801 72.3 68.9 -65.2 -26.2 -1.8 4.0 -23.6 240 488 A E G 3 S+ 0 0 127 1,-0.3 4,-0.1 4,-0.0 -2,-0.0 0.660 89.9 63.7 -60.1 -19.5 1.6 2.2 -23.3 241 489 A K G < S+ 0 0 155 -3,-1.8 -1,-0.3 2,-0.1 2,-0.3 0.605 92.4 80.5 -80.8 -11.9 3.3 5.6 -22.6 242 490 A L S < S- 0 0 18 -3,-1.8 2,-0.1 -4,-0.3 -32,-0.0 -0.664 88.0-105.6 -97.9 150.4 1.3 5.9 -19.3 243 491 A S > - 0 0 40 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.342 29.1-116.5 -66.5 155.2 2.0 4.3 -16.0 244 492 A A H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.866 116.5 52.6 -60.1 -37.2 -0.2 1.4 -14.9 245 493 A I H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.893 109.3 48.2 -69.9 -38.2 -1.4 3.4 -12.0 246 494 A F H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.933 110.6 51.9 -63.9 -44.5 -2.4 6.4 -14.2 247 495 A R H X S+ 0 0 96 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.917 110.0 50.1 -57.8 -40.3 -4.2 4.0 -16.6 248 496 A D H X S+ 0 0 55 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.920 109.2 50.2 -63.8 -43.7 -6.1 2.5 -13.6 249 497 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 3,-0.2 0.939 111.4 49.0 -59.2 -45.6 -7.1 6.0 -12.4 250 498 A L H X S+ 0 0 9 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.915 108.6 53.7 -61.9 -44.0 -8.4 6.9 -15.9 251 499 A N H < S+ 0 0 96 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.861 108.9 49.2 -56.3 -38.0 -10.3 3.6 -16.0 252 500 A R H < S+ 0 0 128 -4,-1.8 10,-2.3 -3,-0.2 3,-0.5 0.831 113.1 45.9 -76.3 -32.3 -12.1 4.4 -12.7 253 501 A C H < S+ 0 0 0 -4,-1.9 -50,-0.3 1,-0.2 -2,-0.2 0.792 118.0 42.9 -71.9 -34.5 -13.0 7.9 -13.9 254 502 A L S < S+ 0 0 5 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.016 77.8 142.1-109.4 25.5 -14.3 6.7 -17.3 255 503 A E - 0 0 49 -3,-0.5 6,-0.1 1,-0.1 -3,-0.1 -0.457 46.1-146.0 -66.4 134.0 -16.2 3.6 -16.3 256 504 A M S S+ 0 0 77 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.854 84.3 76.5 -67.3 -38.2 -19.4 3.2 -18.3 257 505 A D S >> S- 0 0 77 1,-0.2 4,-2.3 2,-0.0 3,-0.6 -0.687 73.7-154.1 -82.8 108.6 -21.3 1.7 -15.3 258 506 A V T 34 S+ 0 0 50 -2,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.882 94.2 54.8 -52.7 -43.1 -22.1 4.7 -13.1 259 507 A E T 34 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.886 112.4 43.4 -56.4 -41.4 -22.2 2.4 -10.0 260 508 A K T <4 S+ 0 0 137 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.798 92.6 99.8 -76.4 -33.5 -18.7 1.2 -10.8 261 509 A R S < S- 0 0 0 -4,-2.3 -8,-0.2 -6,-0.1 -9,-0.1 -0.237 85.5-100.0 -52.8 140.4 -17.3 4.6 -11.6 262 510 A G - 0 0 5 -10,-2.3 2,-0.2 1,-0.1 -1,-0.1 -0.330 27.4-136.8 -64.5 141.5 -15.4 6.2 -8.8 263 511 A S > - 0 0 31 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.536 30.5-107.2 -79.9 166.9 -16.9 8.8 -6.6 264 512 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -134,-0.2 0.934 121.9 52.1 -61.3 -42.9 -14.8 11.9 -5.7 265 513 A K H 4 S+ 0 0 125 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.916 112.4 45.4 -60.0 -44.6 -14.3 10.6 -2.2 266 514 A E H >4 S+ 0 0 121 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.916 111.4 52.0 -64.2 -44.9 -13.2 7.2 -3.4 267 515 A L H >< S+ 0 0 3 -4,-2.7 3,-1.9 1,-0.3 6,-0.3 0.794 94.9 69.1 -69.0 -26.4 -10.8 8.7 -6.1 268 516 A L T 3< S+ 0 0 49 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.719 99.8 52.2 -60.6 -20.6 -9.1 10.9 -3.5 269 517 A Q T < S+ 0 0 140 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.460 83.0 122.9 -90.8 -3.4 -7.7 7.7 -2.1 270 518 A H X - 0 0 20 -3,-1.9 3,-1.1 -4,-0.2 4,-0.5 -0.319 66.0-132.8 -66.6 140.5 -6.4 6.5 -5.5 271 519 A Q G > S+ 0 0 136 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.726 101.0 71.5 -68.8 -19.8 -2.6 5.8 -5.6 272 520 A F G > S+ 0 0 0 -27,-0.3 3,-1.6 1,-0.2 -1,-0.3 0.914 93.8 56.3 -57.1 -39.1 -2.2 7.8 -8.8 273 521 A L G X S+ 0 0 8 -3,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.778 93.2 70.1 -66.7 -21.0 -2.7 10.9 -6.7 274 522 A K G < S+ 0 0 142 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.564 89.2 60.9 -73.8 -11.0 0.2 9.9 -4.4 275 523 A I G < S+ 0 0 76 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.391 77.8 135.2 -91.9 1.7 2.7 10.6 -7.2 276 524 A A < - 0 0 25 -3,-1.5 -159,-0.2 -157,-0.2 -160,-0.1 -0.216 49.4-140.0 -51.4 132.6 1.6 14.2 -7.3 277 525 A K - 0 0 87 -161,-1.7 -1,-0.1 1,-0.2 5,-0.1 -0.473 39.9 -76.7 -79.3 164.4 4.4 16.8 -7.4 278 526 A P > - 0 0 90 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.316 43.0-115.1 -55.6 150.2 4.1 20.0 -5.3 279 527 A L G > S+ 0 0 39 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.823 114.3 72.3 -59.7 -30.3 1.8 22.5 -6.9 280 528 A S G > S+ 0 0 79 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.719 81.3 74.2 -52.1 -24.9 4.8 24.8 -7.4 281 529 A S G < S+ 0 0 24 -3,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.683 89.3 59.5 -65.4 -18.8 5.9 22.3 -10.1 282 530 A L G X> S+ 0 0 5 -3,-2.3 4,-2.5 -4,-0.2 3,-0.6 0.671 80.5 86.9 -81.3 -19.6 3.2 23.8 -12.3 283 531 A T H <> S+ 0 0 48 -3,-1.2 4,-2.9 -4,-0.3 5,-0.2 0.863 85.5 50.9 -55.6 -44.1 4.6 27.3 -12.3 284 532 A P H 3> S+ 0 0 86 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.874 113.0 47.4 -60.4 -37.2 7.0 26.9 -15.2 285 533 A L H <> S+ 0 0 22 -3,-0.6 4,-3.0 -4,-0.3 5,-0.2 0.912 112.8 48.7 -67.2 -44.9 4.1 25.5 -17.4 286 534 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.933 112.7 47.7 -60.3 -46.5 1.9 28.3 -16.3 287 535 A A H X S+ 0 0 48 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.928 114.6 46.7 -60.4 -45.2 4.6 30.9 -17.1 288 536 A A H X S+ 0 0 51 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.903 113.4 47.4 -63.5 -46.1 5.2 29.3 -20.5 289 537 A A H X S+ 0 0 2 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.874 111.0 52.3 -64.1 -39.3 1.5 29.0 -21.4 290 538 A K H < S+ 0 0 100 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 110.9 47.2 -62.8 -44.2 0.9 32.6 -20.4 291 539 A E H < S+ 0 0 165 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.889 113.8 47.0 -63.4 -40.9 3.8 33.8 -22.6 292 540 A A H < 0 0 56 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.814 360.0 360.0 -68.6 -29.3 2.5 31.7 -25.5 293 541 A T < 0 0 123 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.596 360.0 360.0 69.4 360.0 -1.0 33.1 -24.9