==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-DEC-10 3Q4Z . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,J.-W.WU,Z.-X.WANG . 561 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 25 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 4 1 0 2 0 1 5 2 1 0 0 2 1 0 0 0 2 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 . 4 1 2 0 2 5 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 0 2 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 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 1 251 A E > 0 0 182 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -53.4 30.0 -19.6 -11.4 2 252 A E H > + 0 0 138 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.951 360.0 47.9 -59.7 -52.9 33.1 -19.9 -9.3 3 253 A I H > S+ 0 0 71 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.828 110.4 52.2 -60.9 -34.4 31.3 -18.8 -6.1 4 254 A L H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.805 109.2 49.6 -74.7 -28.6 28.4 -21.2 -6.7 5 255 A E H X S+ 0 0 100 -4,-1.6 4,-2.1 -3,-0.4 -2,-0.2 0.894 110.5 50.8 -72.8 -40.2 30.8 -24.1 -7.1 6 256 A K H X S+ 0 0 119 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.924 112.0 47.1 -58.3 -45.7 32.5 -23.0 -3.9 7 257 A L H >X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 3,-1.0 0.954 110.3 52.8 -60.2 -49.8 29.1 -23.0 -2.2 8 258 A R H 3< S+ 0 0 115 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.862 106.4 54.5 -51.7 -38.1 28.4 -26.4 -3.7 9 259 A I H 3< S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.745 106.6 49.6 -75.9 -23.1 31.6 -27.7 -2.3 10 260 A I H << S+ 0 0 23 -4,-1.2 -1,-0.2 -3,-1.0 -2,-0.2 0.863 95.6 92.0 -75.1 -40.6 30.8 -26.6 1.3 11 261 A V S < S- 0 0 13 -4,-1.9 2,-0.3 -5,-0.1 62,-0.2 -0.159 79.1-120.6 -60.1 144.7 27.4 -28.2 1.2 12 262 A S - 0 0 46 60,-2.3 2,-0.7 1,-0.0 62,-0.5 -0.680 12.2-149.7 -78.0 137.1 26.7 -31.8 2.3 13 263 A V + 0 0 118 -2,-0.3 2,-0.3 60,-0.1 60,-0.1 -0.757 56.6 114.3-105.8 81.3 25.3 -34.0 -0.4 14 264 A G S S- 0 0 44 -2,-0.7 3,-0.1 0, 0.0 -2,-0.0 -0.788 75.6 -78.1-133.6 179.3 23.3 -36.3 1.9 15 265 A D - 0 0 127 -2,-0.3 -2,-0.1 1,-0.2 58,-0.0 -0.758 29.4-177.4 -92.3 111.9 19.6 -36.9 2.4 16 266 A P 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.736 360.0 360.0 -67.7 -23.9 17.7 -34.2 4.4 17 267 A K 0 0 179 -3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.384 360.0 360.0 84.4 360.0 14.7 -36.6 3.9 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 273 A F 0 0 138 0, 0.0 14,-0.2 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 65.2 8.3 -29.7 7.9 20 274 A E - 0 0 139 11,-0.1 12,-1.1 1,-0.1 2,-0.4 -0.066 360.0-131.5 -59.3 167.3 7.1 -27.3 10.6 21 275 A K + 0 0 110 10,-0.3 10,-0.2 1,-0.1 3,-0.1 -0.958 26.2 177.2-127.7 142.8 7.3 -23.6 10.2 22 276 A I - 0 0 91 8,-0.5 2,-0.2 -2,-0.4 9,-0.2 0.765 68.1 -51.8-104.3 -47.6 8.6 -20.8 12.4 23 277 A G B -A 30 0A 29 7,-0.8 7,-1.0 2,-0.0 2,-0.7 -0.830 46.8-111.6 170.0 146.8 8.2 -17.8 10.2 24 278 A Q + 0 0 115 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.858 37.4 174.3-102.7 114.5 9.1 -16.6 6.8 25 279 A G - 0 0 43 -2,-0.7 2,-0.3 3,-0.1 3,-0.3 -0.088 38.7 -85.8 -92.9-162.3 11.7 -13.8 6.6 26 280 A A S S+ 0 0 80 1,-0.2 -1,-0.1 3,-0.1 3,-0.0 -0.836 102.9 50.0-102.5 151.7 13.4 -12.3 3.6 27 281 A S S S- 0 0 78 -2,-0.3 -1,-0.2 19,-0.1 17,-0.1 0.927 137.8 -34.4 54.2 57.6 16.5 -13.9 2.1 28 282 A G S S- 0 0 14 -3,-0.3 2,-0.4 15,-0.2 16,-0.2 0.220 80.7 -80.9-116.8-109.4 14.8 -16.2 2.3 29 283 A T E - B 0 43A 32 14,-1.3 14,-1.9 -5,-0.2 2,-0.3 -0.922 38.2-140.8-116.7 144.5 12.0 -17.9 4.3 30 284 A V E -AB 23 42A 19 -7,-1.0 -7,-0.8 -2,-0.4 -8,-0.5 -0.712 16.4-173.7-109.9 153.0 12.6 -19.9 7.4 31 285 A Y E - B 0 41A 23 10,-3.0 10,-2.1 -2,-0.3 -10,-0.3 -0.938 19.1-123.0-142.0 159.7 11.0 -23.1 8.8 32 286 A T E + B 0 40A 17 -12,-1.1 2,-0.3 -2,-0.3 8,-0.2 -0.703 40.4 133.6 -99.5 157.2 10.9 -25.5 11.8 33 287 A A E - B 0 39A 30 6,-1.8 6,-1.3 -2,-0.3 2,-0.3 -0.939 30.1-137.6-174.1-165.0 11.7 -29.2 11.9 34 288 A M E B 0 38A 124 -2,-0.3 4,-0.2 4,-0.2 -14,-0.0 -0.985 360.0 360.0-167.4 160.6 13.6 -32.0 13.8 35 289 A D 0 0 144 2,-1.4 3,-0.1 -2,-0.3 -1,-0.0 0.028 360.0 360.0-166.9 360.0 15.7 -35.1 13.5 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 294 A Q 0 0 179 0, 0.0 -2,-1.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.3 17.1 -33.0 19.2 38 295 A E E -B 34 0A 123 -4,-0.2 47,-1.2 47,-0.1 2,-0.3 -0.704 360.0-172.0 -87.6 130.6 15.0 -30.0 18.1 39 296 A V E -BC 33 84A 19 -6,-1.3 -6,-1.8 -2,-0.4 2,-0.4 -0.892 20.5-146.3-131.5 147.7 16.2 -28.2 15.0 40 297 A A E -BC 32 83A 6 43,-3.0 43,-3.3 -2,-0.3 2,-0.4 -0.955 19.1-164.1-115.4 133.3 15.5 -25.1 12.9 41 298 A I E -BC 31 82A 15 -10,-2.1 -10,-3.0 -2,-0.4 2,-0.4 -0.922 6.2-158.4-123.1 138.9 16.0 -25.0 9.1 42 299 A R E -BC 30 81A 58 39,-3.4 39,-2.7 -2,-0.4 2,-0.4 -0.903 6.2-166.2-113.0 143.2 16.2 -22.2 6.6 43 300 A Q E +BC 29 80A 40 -14,-1.9 -14,-1.3 -2,-0.4 2,-0.3 -0.969 14.6 159.1-124.8 144.2 15.6 -22.4 2.8 44 301 A M E - C 0 79A 26 35,-2.7 35,-4.3 -2,-0.4 -2,-0.0 -0.967 27.4-153.3-157.1 151.2 16.5 -19.9 0.1 45 302 A N 0 0 55 33,-0.3 33,-0.1 -2,-0.3 270,-0.1 -0.242 360.0 360.0-126.4 48.7 16.9 -20.1 -3.7 46 303 A L 0 0 133 33,-0.1 -1,-0.2 2,-0.0 32,-0.1 -0.098 360.0 360.0 43.6 360.0 19.3 -17.3 -4.7 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 309 A K >> 0 0 157 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0-158.5 26.3 -15.7 -2.9 49 310 A E H 3> + 0 0 72 1,-0.2 4,-3.9 2,-0.2 5,-0.3 0.813 360.0 65.0 -59.8 -33.0 29.4 -15.0 -0.8 50 311 A L H 3> S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.916 105.1 45.6 -58.7 -42.3 27.4 -13.8 2.2 51 312 A I H <> S+ 0 0 21 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.917 114.4 47.7 -61.8 -47.1 25.9 -17.3 2.5 52 313 A I H X S+ 0 0 9 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.947 113.4 48.2 -60.1 -51.1 29.4 -18.8 2.1 53 314 A N H X S+ 0 0 25 -4,-3.9 4,-3.4 2,-0.2 5,-0.4 0.938 112.1 49.0 -52.4 -53.4 30.8 -16.4 4.7 54 315 A E H X S+ 0 0 35 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.935 114.6 44.8 -55.6 -49.0 28.0 -17.1 7.1 55 316 A I H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.969 117.8 42.6 -60.3 -55.2 28.4 -20.9 6.7 56 317 A L H X S+ 0 0 47 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.907 116.5 47.0 -60.1 -46.3 32.2 -20.9 7.0 57 318 A V H X S+ 0 0 0 -4,-3.4 4,-0.5 -5,-0.3 -1,-0.2 0.923 114.8 47.1 -64.3 -42.5 32.3 -18.4 9.8 58 319 A M H >< S+ 0 0 6 -4,-2.6 3,-0.9 -5,-0.4 11,-0.3 0.911 110.8 52.1 -63.5 -43.3 29.6 -20.2 11.8 59 320 A R H 3< S+ 0 0 106 -4,-2.8 3,-0.3 -5,-0.2 -1,-0.2 0.885 114.9 42.2 -55.8 -41.1 31.3 -23.6 11.2 60 321 A E H 3< S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.374 112.7 52.4 -94.5 1.7 34.6 -22.3 12.5 61 322 A N << + 0 0 9 -3,-0.9 2,-0.2 -4,-0.5 -1,-0.2 -0.442 65.8 165.3-139.3 59.9 33.4 -20.3 15.5 62 323 A K + 0 0 105 -3,-0.3 5,-0.1 6,-0.1 -3,-0.1 -0.586 10.2 153.0 -82.9 145.0 31.2 -22.5 17.6 63 324 A N > - 0 0 39 3,-0.4 3,-2.1 -2,-0.2 -2,-0.1 -0.957 56.0-108.6-170.2 146.5 30.4 -21.2 21.1 64 325 A P T 3 S+ 0 0 105 0, 0.0 78,-0.1 0, 0.0 4,-0.1 0.726 118.9 52.0 -64.6 -18.2 27.6 -21.5 23.7 65 326 A N T 3 S+ 0 0 11 78,-0.1 79,-2.7 49,-0.1 2,-0.4 0.218 99.4 77.6-101.5 17.6 26.5 -17.9 23.0 66 327 A I B < S-e 144 0B 6 -3,-2.1 -3,-0.4 77,-0.3 2,-0.2 -0.984 93.1-103.8-126.0 135.6 26.3 -18.4 19.3 67 328 A V - 0 0 2 77,-2.6 2,-0.2 -2,-0.4 -2,-0.1 -0.381 46.8-110.9 -60.7 122.7 23.5 -20.1 17.5 68 329 A N - 0 0 47 -2,-0.2 16,-1.7 -4,-0.1 2,-0.4 -0.319 22.1-147.6 -65.1 118.5 24.7 -23.6 16.5 69 330 A Y E +D 83 0A 9 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.694 22.3 172.2 -79.5 136.3 25.3 -24.2 12.8 70 331 A L E - 0 0 69 12,-3.0 2,-0.3 1,-0.4 13,-0.2 0.784 48.3 -37.9-109.5 -73.7 24.5 -27.9 12.0 71 332 A D E -D 82 0A 36 11,-0.9 11,-3.5 2,-0.0 -1,-0.4 -0.875 41.5-141.4-145.2 178.8 24.5 -28.6 8.2 72 333 A S E -D 81 0A 1 -2,-0.3 -60,-2.3 9,-0.2 2,-0.4 -0.988 10.2-171.9-144.5 145.5 23.6 -27.3 4.8 73 334 A Y E -D 80 0A 61 7,-1.3 7,-2.3 -2,-0.3 2,-0.3 -0.996 9.6-155.2-139.5 133.2 22.2 -29.0 1.7 74 335 A L E -D 79 0A 25 -62,-0.5 5,-0.2 -2,-0.4 3,-0.1 -0.850 15.3-178.4-114.4 142.5 21.8 -27.4 -1.7 75 336 A V - 0 0 85 3,-2.4 3,-0.4 1,-0.5 4,-0.2 -0.046 48.3-112.4-124.5 21.4 19.3 -28.5 -4.3 76 337 A G S S+ 0 0 33 1,-0.3 -1,-0.5 2,-0.1 2,-0.4 -0.008 109.4 40.0 64.8 176.4 20.2 -26.0 -7.1 77 338 A D S S+ 0 0 80 -3,-0.1 -1,-0.3 -32,-0.1 238,-0.1 -0.375 126.0 33.1 56.1-115.8 17.3 -23.8 -7.3 78 339 A E S S- 0 0 66 -2,-0.4 -3,-2.4 -3,-0.4 2,-0.3 -0.295 73.1-153.9 -75.0 158.7 16.8 -23.7 -3.5 79 340 A L E -CD 44 74A 1 -35,-4.3 -35,-2.7 -5,-0.2 2,-0.4 -0.987 8.4-149.7-134.5 142.2 19.5 -23.8 -0.9 80 341 A W E -CD 43 73A 61 -7,-2.3 -7,-1.3 -2,-0.3 2,-0.4 -0.920 10.8-172.2-122.8 140.3 19.1 -25.1 2.7 81 342 A V E -CD 42 72A 11 -39,-2.7 -39,-3.4 -2,-0.4 2,-0.6 -0.993 12.2-154.6-130.9 125.5 20.8 -24.1 6.0 82 343 A V E +CD 41 71A 19 -11,-3.5 -12,-3.0 -2,-0.4 -11,-0.9 -0.876 22.0 160.4-110.4 118.7 20.3 -26.1 9.2 83 344 A M E -CD 40 69A 21 -43,-3.3 -43,-3.0 -2,-0.6 -14,-0.2 -0.746 45.0 -81.3-124.6 173.3 20.7 -24.6 12.7 84 345 A E E -C 39 0A 37 -16,-1.7 2,-0.4 -45,-0.2 -45,-0.2 -0.456 47.8-116.9 -72.7 149.4 19.6 -25.3 16.3 85 346 A Y - 0 0 70 -47,-1.2 2,-0.5 -2,-0.1 -47,-0.1 -0.767 22.7-167.2 -91.7 130.8 16.1 -24.1 17.2 86 347 A L > - 0 0 20 -2,-0.4 3,-0.7 51,-0.1 50,-0.2 -0.987 0.8-169.5-116.5 117.5 15.7 -21.5 19.9 87 348 A A T 3 S+ 0 0 21 -2,-0.5 50,-0.2 1,-0.2 3,-0.1 0.539 70.5 78.8 -90.8 -5.6 12.1 -21.4 20.9 88 349 A G T 3 S- 0 0 4 48,-1.9 -1,-0.2 1,-0.2 49,-0.2 0.375 90.8-137.3 -83.1 3.0 12.1 -18.2 23.0 89 350 A G < - 0 0 17 -3,-0.7 47,-2.8 47,-0.3 -1,-0.2 -0.257 38.2 -37.3 74.2-159.9 12.1 -16.0 19.9 90 351 A S B > -F 135 0B 22 45,-0.2 4,-1.1 1,-0.1 3,-0.5 -0.613 42.6-120.1-104.1 157.8 14.2 -12.8 19.4 91 352 A L H > S+ 0 0 2 43,-2.6 4,-2.9 40,-0.9 5,-0.3 0.816 111.8 68.8 -61.9 -27.5 15.3 -10.1 21.8 92 353 A T H > S+ 0 0 14 39,-0.9 4,-1.7 42,-0.3 -1,-0.2 0.913 95.5 51.6 -57.3 -44.6 13.4 -7.8 19.5 93 354 A D H > S+ 0 0 52 -3,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.892 113.4 46.8 -57.6 -42.1 10.0 -9.2 20.6 94 355 A V H X S+ 0 0 2 -4,-1.1 4,-1.8 2,-0.2 3,-0.4 0.937 114.1 43.0 -67.0 -47.8 11.1 -8.7 24.2 95 356 A V H < S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.800 116.7 49.9 -71.5 -22.2 12.3 -5.1 23.9 96 357 A T H < S+ 0 0 68 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.719 123.6 26.0 -89.8 -20.1 9.4 -4.1 21.8 97 358 A E H < S+ 0 0 73 -4,-1.0 2,-0.3 -3,-0.4 -2,-0.2 0.447 116.8 44.6-126.1 -3.1 6.7 -5.6 24.0 98 359 A T S < S- 0 0 25 -4,-1.8 2,-0.5 -5,-0.1 174,-0.0 -0.909 70.3-117.9-139.1 166.4 8.0 -5.6 27.6 99 360 A C - 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0 0 3 0, 0.0 3,-1.2 0, 0.0 -32,-0.1 -0.401 61.5 -76.4 -71.1 162.4 17.3 2.3 18.8 202 463 A P T 3 S+ 0 0 16 0, 0.0 21,-0.0 0, 0.0 -7,-0.0 -0.292 114.3 14.5 -59.4 147.7 17.8 6.1 18.4 203 464 A Y T > S+ 0 0 43 1,-0.1 3,-2.1 -3,-0.1 8,-0.1 0.557 76.1 141.3 68.7 12.7 16.3 7.7 15.3 204 465 A L T < + 0 0 21 -3,-1.2 -1,-0.1 1,-0.3 242,-0.1 0.804 68.5 59.3 -60.0 -27.5 14.1 4.7 14.4 205 466 A N T 3 S+ 0 0 124 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.701 95.9 80.5 -73.5 -16.2 11.3 7.1 13.4 206 467 A E S < S- 0 0 65 -3,-2.1 0, 0.0 1,-0.1 0, 0.0 -0.498 95.3 -96.1 -85.3 158.2 13.6 8.6 10.8 207 468 A N > - 0 0 37 -2,-0.2 4,-2.5 256,-0.1 3,-0.3 -0.373 43.2-103.0 -69.6 155.0 14.4 7.1 7.4 208 469 A P H > S+ 0 0 12 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.808 121.7 47.6 -53.0 -34.5 17.6 5.0 7.3 209 470 A L H > S+ 0 0 18 253,-0.3 4,-2.3 2,-0.2 5,-0.2 0.870 108.9 53.0 -76.1 -38.2 19.6 7.8 5.5 210 471 A R H > S+ 0 0 107 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.926 109.5 51.5 -56.1 -43.9 18.4 10.5 7.9 211 472 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.924 106.5 52.4 -62.0 -46.4 19.6 8.2 10.7 212 473 A L H X S+ 0 0 7 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.921 111.5 47.4 -52.6 -48.0 23.0 7.8 9.1 213 474 A Y H X S+ 0 0 133 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.951 112.3 49.2 -59.5 -48.4 23.4 11.6 8.9 214 475 A L H X S+ 0 0 20 -4,-2.7 4,-3.4 1,-0.2 5,-0.5 0.898 112.8 46.9 -60.7 -42.8 22.2 12.0 12.5 215 476 A I H X S+ 0 0 5 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.922 112.7 50.1 -62.1 -43.7 24.7 9.3 13.7 216 477 A A H < S+ 0 0 47 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.843 122.8 32.3 -63.8 -31.2 27.5 11.0 11.6 217 478 A T H < S+ 0 0 72 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.851 122.3 42.1 -96.9 -40.6 26.7 14.4 13.1 218 479 A N H < S- 0 0 94 -4,-3.4 2,-0.4 -5,-0.2 -3,-0.2 0.814 78.6-172.6 -78.6 -34.2 25.5 13.7 16.6 219 480 A G < + 0 0 8 -4,-1.5 -1,-0.2 -5,-0.5 -2,-0.1 -0.616 64.6 36.3 74.5-129.2 28.0 11.1 17.7 220 481 A T S S- 0 0 54 -2,-0.4 2,-0.1 1,-0.1 22,-0.1 -0.397 92.1-128.1 -58.8 122.2 27.1 9.6 21.0 221 482 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.370 17.0-123.7 -75.6 153.1 23.2 9.4 21.1 222 483 A E - 0 0 174 -2,-0.1 2,-0.1 1,-0.0 -4,-0.0 -0.755 15.8-125.2 -99.8 143.4 21.2 10.9 24.0 223 484 A L - 0 0 20 -2,-0.3 4,-0.1 1,-0.1 -1,-0.0 -0.479 13.8-132.6 -75.3 153.2 18.7 9.0 26.2 224 485 A Q S S+ 0 0 145 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.851 103.0 14.7 -72.4 -36.0 15.1 10.4 26.5 225 486 A N > + 0 0 74 1,-0.1 3,-2.0 2,-0.0 -1,-0.2 -0.561 66.6 166.1-142.6 72.5 15.2 10.0 30.3 226 487 A P G > S+ 0 0 48 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.788 74.2 71.3 -59.5 -28.5 18.8 9.5 31.5 227 488 A E G 3 S+ 0 0 134 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.657 86.6 64.8 -65.2 -16.2 17.6 10.2 35.0 228 489 A K G < S+ 0 0 159 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.594 89.8 86.5 -83.5 -8.0 15.8 6.9 35.1 229 490 A L S < S- 0 0 27 -3,-1.9 2,-0.0 -4,-0.2 -32,-0.0 -0.673 82.4-113.5 -95.7 145.0 19.1 4.9 34.9 230 491 A S > - 0 0 36 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.358 30.3-116.0 -64.7 154.1 21.4 3.9 37.7 231 492 A A H > S+ 0 0 88 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.855 116.4 51.4 -63.1 -34.8 24.8 5.5 37.7 232 493 A I H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.929 111.5 45.3 -69.3 -45.6 26.5 2.2 37.1 233 494 A F H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.930 111.8 53.3 -61.4 -46.3 24.3 1.4 34.1 234 495 A R H X S+ 0 0 88 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.873 108.5 50.4 -56.5 -38.2 24.8 4.9 32.8 235 496 A D H X S+ 0 0 52 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.900 108.2 51.7 -68.6 -41.3 28.5 4.4 33.0 236 497 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.927 110.6 48.7 -58.9 -47.1 28.4 1.1 31.1 237 498 A L H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.916 109.0 53.4 -59.7 -44.6 26.4 2.7 28.4 238 499 A N H < S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 108.9 49.2 -58.2 -40.0 28.9 5.6 28.2 239 500 A R H >< S+ 0 0 115 -4,-2.1 10,-1.8 1,-0.2 3,-0.5 0.822 112.1 48.7 -69.2 -33.1 31.8 3.1 27.8 240 501 A C H 3< S+ 0 0 0 -4,-1.9 -50,-0.3 1,-0.2 -2,-0.2 0.847 117.9 40.2 -70.8 -33.1 29.9 1.3 25.0 241 502 A L T 3< S+ 0 0 6 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 -0.016 76.6 141.3-114.9 26.9 29.1 4.5 23.2 242 503 A E < - 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0 0 11 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.346 43.8 -89.3 -64.9 157.8 25.4 7.8 -11.0 509 483 B E - 0 0 178 1,-0.1 2,-0.2 2,-0.0 3,-0.0 -0.596 42.9-118.6 -71.9 124.2 28.5 9.3 -12.5 510 484 B L - 0 0 29 -2,-0.4 -1,-0.1 1,-0.2 -29,-0.0 -0.476 17.6-144.5 -63.0 128.0 28.6 8.5 -16.2 511 485 B Q S S+ 0 0 101 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.880 90.6 9.4 -65.8 -35.5 31.7 6.4 -16.7 512 486 B N > + 0 0 69 1,-0.1 3,-2.0 -3,-0.0 4,-0.3 -0.512 66.4 171.6-147.4 69.5 32.5 7.9 -20.1 513 487 B P G > S+ 0 0 53 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.786 74.8 69.6 -51.4 -35.2 30.2 10.9 -20.8 514 488 B E G 3 S+ 0 0 136 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.781 89.9 63.2 -56.2 -31.0 32.2 11.7 -24.0 515 489 B K G < S+ 0 0 151 -3,-2.0 -1,-0.3 2,-0.0 2,-0.2 0.670 86.8 86.2 -71.6 -19.5 30.9 8.6 -25.7 516 490 B L S < S- 0 0 23 -3,-1.6 2,-0.0 -4,-0.3 -32,-0.0 -0.591 79.1-117.4 -91.4 144.7 27.2 9.6 -25.8 517 491 B S > - 0 0 38 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.312 29.8-113.1 -67.8 160.1 25.5 11.8 -28.4 518 492 B A H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.889 117.3 51.4 -61.7 -38.9 24.1 15.1 -27.2 519 493 B I H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.890 109.9 47.6 -72.7 -35.7 20.6 13.9 -27.8 520 494 B F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 112.0 51.4 -64.8 -44.3 21.0 10.7 -25.8 521 495 B R H X S+ 0 0 102 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.879 108.4 51.8 -61.9 -35.8 22.6 12.7 -23.0 522 496 B D H X S+ 0 0 73 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.928 108.1 51.2 -64.5 -44.6 19.6 15.0 -23.1 523 497 B F H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.919 110.7 48.6 -56.6 -46.2 17.2 12.1 -22.8 524 498 B L H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.909 109.0 53.5 -61.3 -42.5 19.1 10.7 -19.8 525 499 B N H < S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 107.8 50.6 -60.3 -39.5 19.1 14.2 -18.2 526 500 B R H >< S+ 0 0 57 -4,-2.1 10,-1.9 1,-0.2 3,-0.5 0.858 113.6 45.1 -66.2 -35.3 15.3 14.3 -18.6 527 501 B C H 3< S+ 0 0 0 -4,-1.7 -50,-0.2 1,-0.2 -2,-0.2 0.793 114.2 48.6 -76.0 -31.2 14.9 10.9 -17.0 528 502 B L T 3< S+ 0 0 15 -4,-2.0 2,-0.4 -5,-0.2 -21,-0.4 -0.033 70.3 137.1-112.4 31.0 17.3 11.5 -14.1 529 503 B E < - 0 0 53 -3,-0.5 6,-0.1 1,-0.2 -23,-0.1 -0.599 45.8-149.4 -68.8 131.1 16.2 14.8 -12.7 530 504 B M S S+ 0 0 74 -2,-0.4 2,-0.7 -25,-0.1 -1,-0.2 0.865 82.4 78.4 -74.4 -33.2 16.2 14.6 -9.0 531 505 B D S >> S- 0 0 95 1,-0.2 4,-1.7 -3,-0.0 3,-0.9 -0.685 77.5-148.9 -76.3 112.5 13.3 17.2 -8.8 532 506 B V T 34 S+ 0 0 56 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.1 0.810 94.1 55.7 -55.1 -35.4 10.2 15.1 -9.6 533 507 B E T 34 S+ 0 0 157 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.865 109.6 45.3 -66.1 -37.1 8.5 18.0 -11.2 534 508 B K T <4 S+ 0 0 111 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.770 94.4 96.7 -77.9 -26.4 11.3 18.6 -13.6 535 509 B R S < S- 0 0 0 -4,-1.7 -8,-0.2 -6,-0.1 -9,-0.1 -0.364 84.0-105.9 -65.9 141.0 11.6 14.9 -14.4 536 510 B G - 0 0 0 -10,-1.9 2,-0.2 1,-0.1 -63,-0.1 -0.259 23.9-132.2 -67.5 152.4 9.8 13.8 -17.6 537 511 B S > - 0 0 29 1,-0.1 4,-2.3 -64,-0.1 5,-0.2 -0.529 29.3-108.2 -90.6 168.9 6.5 11.9 -17.6 538 512 B A H > S+ 0 0 3 1,-0.2 4,-1.6 2,-0.2 -126,-0.2 0.954 120.8 53.0 -62.5 -46.3 6.2 8.8 -19.8 539 513 B K H 4 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.886 111.8 44.6 -55.0 -42.2 3.8 10.8 -22.1 540 514 B E H >4 S+ 0 0 102 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.916 111.0 52.7 -70.7 -43.0 6.2 13.6 -22.5 541 515 B L H >< S+ 0 0 2 -4,-2.3 3,-1.2 1,-0.3 6,-0.3 0.713 93.0 72.6 -68.9 -20.9 9.3 11.4 -23.1 542 516 B I T 3< S+ 0 0 36 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.817 99.7 48.8 -60.2 -28.5 7.4 9.6 -25.8 543 517 B Q T < S+ 0 0 129 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.522 83.7 127.0 -86.9 -7.7 7.9 12.8 -27.8 544 518 B H X - 0 0 20 -3,-1.2 3,-0.7 -4,-0.2 4,-0.5 -0.174 64.6-130.0 -58.7 144.3 11.7 13.1 -27.0 545 519 B Q G > S+ 0 0 119 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.802 103.1 68.5 -65.7 -29.8 14.0 13.4 -30.1 546 520 B F G > S+ 0 0 0 -27,-0.3 3,-1.8 1,-0.3 -1,-0.2 0.902 93.5 58.1 -55.8 -41.5 16.2 10.6 -28.9 547 521 B L G X S+ 0 0 3 -3,-0.7 3,-1.6 1,-0.3 -1,-0.3 0.781 92.8 70.3 -60.8 -23.1 13.4 8.1 -29.5 548 522 B K G < S+ 0 0 116 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.586 89.1 59.9 -76.3 -7.9 13.4 9.3 -33.2 549 523 B I G < S+ 0 0 74 -3,-1.8 -1,-0.3 -4,-0.3 -147,-0.2 0.328 78.6 134.1 -93.0 7.9 16.7 7.6 -33.9 550 524 B A < - 0 0 19 -3,-1.6 -151,-0.2 -149,-0.2 -152,-0.1 -0.319 51.4-136.8 -59.8 130.2 15.3 4.2 -32.9 551 525 B K - 0 0 82 -153,-1.8 -1,-0.1 1,-0.1 -2,-0.0 -0.437 37.4 -82.2 -74.9 160.1 16.0 1.4 -35.3 552 526 B P > - 0 0 90 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.267 44.8-109.5 -53.2 151.5 13.3 -1.1 -36.3 553 527 B L G > S+ 0 0 49 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.756 115.4 74.7 -64.5 -21.3 12.8 -3.8 -33.7 554 528 B S G > S+ 0 0 79 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.750 81.3 72.3 -59.9 -22.8 14.3 -6.3 -36.1 555 529 B S G < S+ 0 0 18 -3,-2.1 4,-0.4 1,-0.2 -1,-0.3 0.611 90.3 59.7 -67.9 -13.7 17.7 -4.6 -35.2 556 530 B L G <> S+ 0 0 3 -3,-2.2 4,-1.9 -4,-0.2 3,-0.4 0.693 85.1 76.4 -86.0 -21.9 17.5 -6.3 -31.8 557 531 B T H <> S+ 0 0 49 -3,-1.1 4,-2.3 -4,-0.4 -2,-0.2 0.861 90.2 54.6 -65.3 -34.7 17.4 -9.9 -33.2 558 532 B P H > S+ 0 0 77 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.897 107.7 52.9 -63.9 -30.1 21.1 -9.9 -34.0 559 533 B L H > S+ 0 0 16 -3,-0.4 4,-2.6 -4,-0.4 -2,-0.2 0.894 108.1 49.0 -67.7 -42.5 21.6 -8.9 -30.3 560 534 B I H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.905 109.5 53.3 -60.3 -41.4 19.5 -11.8 -29.1 561 535 B A H X S+ 0 0 61 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.927 110.4 46.7 -62.2 -45.2 21.5 -14.2 -31.3 562 536 B A H X S+ 0 0 43 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.940 112.2 50.3 -58.1 -51.0 24.8 -13.0 -29.8 563 537 B A H X S+ 0 0 5 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.893 111.5 47.1 -58.3 -41.7 23.5 -13.3 -26.3 564 538 B K H < S+ 0 0 103 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.878 112.9 49.2 -69.2 -35.6 22.2 -16.8 -26.8 565 539 B E H < S+ 0 0 163 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.914 111.8 49.9 -66.3 -40.5 25.4 -17.8 -28.4 566 540 B A H < 0 0 52 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.792 360.0 360.0 -67.2 -31.4 27.4 -16.3 -25.5 567 541 B T < 0 0 104 -4,-1.6 -3,-0.1 -5,-0.2 -179,-0.0 -0.098 360.0 360.0-107.2 360.0 25.3 -18.1 -22.9