==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSFERASE/ANTIBIOTIC 05-JUN-12 4FGY . COMPND 2 MOLECULE: PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.WANG,Y.LI . 276 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 73.2 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 . 8 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 11 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 50.7 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+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 2 1 1 2 0 0 0 1 0 0 0 1 0 0 0 0 1 1 0 1 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 235 A E >> 0 0 166 0, 0.0 4,-1.7 0, 0.0 3,-1.6 0.000 360.0 360.0 360.0 -80.1 -10.2 17.0 -23.8 2 236 A S T 34 + 0 0 84 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.093 360.0 51.4 -73.4 26.2 -6.6 16.6 -22.3 3 237 A A T 3> S+ 0 0 69 -2,-0.8 4,-1.0 3,-0.1 -1,-0.3 0.427 111.7 44.8-127.7 -27.5 -7.8 17.6 -18.8 4 238 A D H <> S+ 0 0 121 -3,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.581 108.3 59.4 -90.0 -14.4 -10.6 15.2 -18.8 5 239 A L H X S+ 0 0 13 -4,-1.7 4,-0.9 2,-0.2 -3,-0.2 0.758 111.3 40.3 -75.6 -30.4 -8.1 12.7 -20.1 6 240 A R H > S+ 0 0 83 -5,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.803 114.4 54.9 -78.9 -34.4 -6.2 13.5 -16.9 7 241 A A H >X S+ 0 0 48 -4,-1.0 4,-2.0 1,-0.2 3,-0.6 0.959 111.6 41.5 -63.4 -54.8 -9.6 13.4 -15.1 8 242 A L H 3X S+ 0 0 23 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.792 108.9 60.9 -61.3 -35.8 -10.5 9.9 -16.3 9 243 A A H 3X S+ 0 0 6 -4,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.856 109.6 43.1 -56.6 -34.2 -6.9 8.8 -15.8 10 244 A K H - 0 0 11 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.670 39.4-113.6-106.9 164.1 -1.3 -3.7 -6.0 24 258 A K H > S+ 0 0 16 -2,-0.2 4,-4.6 2,-0.2 5,-0.4 0.932 118.2 61.5 -59.4 -42.2 1.9 -3.9 -8.1 25 259 A A H > S+ 0 0 54 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.893 110.1 38.3 -51.6 -47.5 3.3 -1.3 -5.6 26 260 A K H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.857 117.6 50.8 -68.6 -35.3 2.8 -3.7 -2.8 27 261 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 113.9 43.7 -74.0 -41.4 3.9 -6.7 -4.9 28 262 A R H X S+ 0 0 62 -4,-4.6 4,-1.5 2,-0.2 -1,-0.2 0.862 110.4 55.8 -67.6 -37.2 7.0 -4.9 -6.0 29 263 A A H <>S+ 0 0 30 -4,-1.9 5,-0.8 -5,-0.4 6,-0.6 0.932 114.5 40.0 -61.1 -46.5 7.8 -3.6 -2.5 30 264 A I H ><5S+ 0 0 14 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.937 110.9 57.4 -67.4 -48.5 7.7 -7.2 -1.1 31 265 A L H 3<5S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.771 111.5 42.2 -55.7 -28.6 9.5 -8.7 -4.1 32 266 A T T 3<5S- 0 0 90 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.323 117.1-108.5-102.8 8.1 12.6 -6.4 -3.6 33 267 A G T < 5S+ 0 0 45 -3,-1.9 -3,-0.2 -4,-0.1 3,-0.2 0.978 75.5 131.7 56.9 84.3 12.7 -6.7 0.2 34 268 A K S + 0 0 27 -6,-0.6 3,-1.9 -5,-0.1 -2,-0.1 -0.786 59.2 165.8-117.0 82.0 9.1 -4.5 3.7 36 270 A T G > S+ 0 0 117 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.448 77.2 74.3 -67.3 -0.9 11.4 -6.9 5.6 37 271 A D G 3 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.290 100.2 40.0 -89.0 2.2 8.3 -6.6 7.9 38 272 A K G < S+ 0 0 85 -3,-1.9 -1,-0.2 -8,-0.1 -2,-0.1 -0.226 80.0 168.8-142.1 46.9 6.4 -8.8 5.3 39 273 A S < - 0 0 89 -3,-0.5 2,-0.1 1,-0.1 -3,-0.1 -0.542 30.5-128.5 -78.0 119.8 9.2 -11.4 4.5 40 274 A P - 0 0 43 0, 0.0 96,-0.3 0, 0.0 95,-0.1 -0.343 9.0-112.9 -90.3 140.4 7.6 -14.3 2.5 41 275 A F E -a 136 0A 89 94,-1.4 96,-2.1 -2,-0.1 2,-0.6 -0.388 33.9-133.6 -62.9 137.0 7.7 -18.1 3.0 42 276 A V E -a 137 0A 65 94,-0.2 2,-0.7 -2,-0.1 96,-0.2 -0.858 16.0-166.1-102.7 115.7 9.6 -19.8 0.2 43 277 A I E +a 138 0A 4 94,-2.3 96,-2.4 -2,-0.6 99,-0.2 -0.869 26.8 148.7 -97.8 111.1 8.1 -22.9 -1.5 44 278 A Y + 0 0 128 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.514 62.4 5.6-123.4 -9.5 10.7 -24.6 -3.5 45 279 A D S > S- 0 0 53 1,-0.0 4,-2.6 98,-0.0 -1,-0.2 -0.932 85.9 -81.3-157.3 178.4 9.8 -28.3 -3.3 46 280 A M H > S+ 0 0 118 -2,-0.3 4,-2.0 1,-0.2 -1,-0.0 0.857 126.9 56.5 -49.2 -39.2 7.2 -30.9 -2.1 47 281 A N H > S+ 0 0 105 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.920 111.4 37.0 -64.7 -51.6 9.0 -30.6 1.2 48 282 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.735 108.7 66.0 -76.5 -26.1 8.5 -26.7 1.7 49 283 A L H X S+ 0 0 12 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.981 101.8 50.4 -47.6 -58.4 5.1 -27.0 0.1 50 284 A M H X S+ 0 0 92 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.848 113.4 42.5 -49.4 -45.5 4.1 -29.0 3.2 51 285 A M H < S+ 0 0 91 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 119.0 43.4 -80.6 -29.3 5.5 -26.5 5.6 52 286 A G H < S+ 0 0 4 -4,-2.4 -2,-0.2 -3,-0.2 -1,-0.2 0.725 98.2 75.0 -82.3 -25.7 4.1 -23.5 3.7 53 287 A E H < S+ 0 0 76 -4,-2.9 2,-1.2 -5,-0.2 -2,-0.2 0.926 85.7 67.0 -45.7 -55.4 0.8 -25.4 3.2 54 288 A D < 0 0 113 -4,-1.0 -1,-0.1 1,-0.2 -4,-0.0 -0.646 360.0 360.0 -62.1 95.0 0.1 -24.6 6.9 55 289 A K 0 0 156 -2,-1.2 -1,-0.2 81,-0.0 -2,-0.1 0.933 360.0 360.0 -71.2 360.0 -0.2 -20.8 6.2 56 ! 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 57 295 A I 0 0 143 0, 0.0 17,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.9 -11.0 -20.8 1.9 58 296 A T - 0 0 59 15,-0.1 4,-0.1 3,-0.0 16,-0.1 0.984 360.0-167.5 46.8 70.5 -10.4 -24.3 0.5 59 297 A P > - 0 0 60 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.582 50.9 -44.7 -65.8-150.3 -12.3 -26.0 3.6 60 298 A L T 3 S+ 0 0 149 1,-0.4 3,-0.3 2,-0.1 -2,-0.0 0.569 118.7 96.2 -62.6 -10.9 -12.5 -29.6 4.8 61 299 A Q T 3 + 0 0 99 1,-0.2 -1,-0.4 2,-0.0 -3,-0.0 0.368 67.0 99.5 -39.1 -3.0 -13.1 -29.6 1.1 62 300 A E < + 0 0 119 -3,-0.7 3,-0.2 -4,-0.1 -1,-0.2 0.985 44.9 164.2 -60.6 -86.5 -9.4 -30.4 1.9 63 301 A Q - 0 0 114 -3,-0.3 2,-1.2 1,-0.1 -2,-0.0 0.878 54.4-109.8 48.6 108.9 -8.4 -34.1 1.7 64 302 A S + 0 0 99 5,-0.0 -1,-0.1 6,-0.0 2,-0.1 -0.564 64.2 155.9 -61.7 101.2 -4.6 -34.2 1.5 65 303 A K - 0 0 78 -2,-1.2 2,-0.1 1,-0.3 -2,-0.0 -0.223 51.1 -43.7-107.3-155.0 -4.8 -35.4 -2.1 66 304 A E >> - 0 0 79 -2,-0.1 3,-1.9 1,-0.1 4,-1.4 -0.422 58.1-103.3 -79.5 155.1 -1.8 -34.9 -4.5 67 305 A V H 3> S+ 0 0 22 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.825 118.0 56.6 -30.4 -53.5 0.2 -31.6 -4.7 68 306 A A H 3> S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.722 104.0 51.3 -65.1 -25.4 -1.6 -30.6 -8.0 69 307 A I H <> S+ 0 0 12 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.837 108.4 50.9 -83.6 -31.4 -5.1 -30.8 -6.6 70 308 A R H X S+ 0 0 51 -4,-1.4 4,-1.3 -3,-0.3 -2,-0.2 0.919 113.4 46.5 -63.6 -43.9 -4.2 -28.5 -3.6 71 309 A I H X S+ 0 0 32 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.871 107.8 57.2 -68.4 -38.3 -2.7 -26.1 -6.2 72 310 A F H X S+ 0 0 34 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.942 106.7 50.5 -51.4 -47.8 -5.8 -26.4 -8.3 73 311 A Q H X S+ 0 0 32 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.775 109.2 46.7 -70.6 -29.8 -8.0 -25.3 -5.4 74 312 A G H X S+ 0 0 29 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.884 113.2 50.8 -78.8 -39.7 -6.0 -22.2 -4.4 75 313 A C H X S+ 0 0 67 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 111.7 49.1 -53.9 -48.2 -5.9 -21.1 -8.1 76 314 A Q H X S+ 0 0 27 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.920 113.2 44.5 -63.4 -45.4 -9.7 -21.7 -8.2 77 315 A F H X S+ 0 0 48 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.855 115.0 48.3 -68.8 -36.7 -10.4 -19.7 -5.2 78 316 A R H X S+ 0 0 102 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.792 108.7 54.1 -75.2 -31.3 -8.1 -16.9 -6.1 79 317 A S H X S+ 0 0 23 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.937 105.2 54.5 -63.5 -48.6 -9.6 -16.8 -9.7 80 318 A V H X S+ 0 0 15 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.920 109.3 47.5 -52.1 -49.0 -13.1 -16.4 -8.2 81 319 A E H X S+ 0 0 67 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.900 111.6 50.0 -58.8 -44.0 -11.9 -13.4 -6.1 82 320 A A H X S+ 0 0 16 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.910 105.7 55.5 -65.2 -43.6 -10.2 -11.8 -9.1 83 321 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.962 111.0 47.0 -51.7 -48.0 -13.3 -12.2 -11.3 84 322 A Q H X S+ 0 0 76 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.881 113.6 45.9 -63.3 -42.1 -15.2 -10.2 -8.6 85 323 A E H X S+ 0 0 49 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.941 113.7 48.6 -65.5 -47.4 -12.6 -7.5 -8.2 86 324 A I H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.895 112.2 49.7 -61.1 -43.6 -12.2 -7.0 -12.0 87 325 A T H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.889 111.2 47.7 -61.0 -45.9 -16.0 -6.9 -12.3 88 326 A E H < S+ 0 0 77 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.906 114.3 48.3 -64.5 -40.2 -16.3 -4.3 -9.6 89 327 A Y H >< S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.912 110.7 51.2 -62.1 -44.4 -13.5 -2.4 -11.3 90 328 A A H >< S+ 0 0 0 -4,-3.2 3,-2.8 1,-0.3 -2,-0.2 0.921 98.9 63.9 -57.8 -44.1 -15.3 -2.7 -14.6 91 329 A K T 3< S+ 0 0 31 -4,-2.6 6,-0.3 1,-0.3 -1,-0.3 0.656 101.8 55.1 -57.4 -11.7 -18.5 -1.4 -13.2 92 330 A S T < S+ 0 0 31 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.348 73.5 111.4-108.7 0.4 -16.6 1.8 -12.6 93 331 A I S X S- 0 0 4 -3,-2.8 3,-3.5 -4,-0.1 4,-0.4 -0.693 86.4 -98.0 -75.1 120.1 -15.4 2.5 -16.2 94 332 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.072 108.3 7.1 -40.9 126.2 -17.3 5.7 -17.4 95 333 A G T >> S+ 0 0 28 -4,-0.1 4,-0.6 1,-0.1 3,-0.6 0.205 94.6 115.3 82.0 -15.7 -20.2 4.4 -19.5 96 334 A F G X4 S+ 0 0 0 -3,-3.5 3,-1.0 1,-0.2 -5,-0.1 0.904 78.7 45.8 -52.9 -43.9 -19.6 0.7 -18.8 97 335 A V G 34 S+ 0 0 82 -4,-0.4 -1,-0.2 -6,-0.3 7,-0.1 0.753 99.7 68.0 -76.2 -21.5 -23.0 0.4 -17.0 98 336 A N G <4 S+ 0 0 132 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.666 85.0 96.6 -72.4 -14.5 -24.9 2.2 -19.6 99 337 A L S << S- 0 0 18 -3,-1.0 5,-0.1 -4,-0.6 -4,-0.0 -0.292 92.7 -79.9 -74.1 158.6 -24.3 -0.7 -22.0 100 338 A D >> - 0 0 68 1,-0.1 3,-1.4 92,-0.1 4,-1.2 -0.324 42.0-123.8 -55.7 132.7 -26.7 -3.6 -22.8 101 339 A L H >> S+ 0 0 75 1,-0.3 4,-2.4 2,-0.2 3,-0.8 0.880 108.3 56.5 -51.6 -48.4 -26.4 -6.2 -20.0 102 340 A N H 3> S+ 0 0 64 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.797 109.4 47.4 -51.3 -32.8 -25.5 -9.1 -22.4 103 341 A D H <> S+ 0 0 0 -3,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.689 107.1 54.4 -87.1 -20.5 -22.6 -7.1 -23.7 104 342 A Q H S+ 0 0 19 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.786 109.0 58.9 -74.6 -22.9 -8.5 -14.0 -18.0 114 352 A E H > S+ 0 0 10 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.863 111.3 43.1 -72.8 -33.8 -6.4 -11.5 -19.9 115 353 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.864 108.2 57.4 -80.4 -37.7 -6.5 -9.3 -16.9 116 354 A I H X S+ 0 0 29 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.927 112.2 43.1 -53.1 -46.7 -5.9 -12.2 -14.5 117 355 A Y H X S+ 0 0 16 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.804 110.8 54.4 -72.7 -32.6 -2.6 -12.9 -16.4 118 356 A T H X S+ 0 0 1 -4,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.920 112.5 44.7 -59.9 -44.8 -1.7 -9.2 -16.6 119 357 A M H >< S+ 0 0 33 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.816 104.6 62.3 -72.6 -32.7 -2.0 -8.9 -12.9 120 358 A L H >< S+ 0 0 29 -4,-1.6 3,-2.9 1,-0.2 4,-0.3 0.932 95.1 61.9 -58.2 -44.9 -0.1 -12.2 -12.4 121 359 A A H >< S+ 0 0 1 -4,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.851 94.7 62.0 -50.4 -35.2 2.9 -10.6 -14.1 122 360 A S T << S+ 0 0 8 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.726 105.0 48.3 -63.7 -15.7 3.0 -8.1 -11.2 123 361 A L T < S+ 0 0 41 -3,-2.9 7,-3.1 -4,-0.4 2,-0.3 0.328 104.6 78.4-106.2 3.6 3.6 -11.0 -8.9 124 362 A M E < +B 129 0A 0 -3,-1.7 2,-0.3 -4,-0.3 5,-0.2 -0.803 42.6 166.3-120.1 151.6 6.4 -12.5 -10.8 125 363 A N E > -B 128 0A 40 3,-1.7 3,-0.5 -2,-0.3 37,-0.1 -0.788 60.9 -67.9-137.2-168.8 10.0 -12.2 -11.5 126 364 A K T 3 S+ 0 0 132 -2,-0.3 36,-0.1 1,-0.2 3,-0.1 0.804 128.2 35.8 -46.2 -40.1 12.7 -14.4 -13.2 127 365 A D T 3 S- 0 0 88 1,-0.1 13,-3.6 13,-0.1 14,-0.5 0.615 119.2 -42.1-103.9 -12.7 12.6 -17.0 -10.4 128 366 A G E < -BC 125 139A 0 -3,-0.5 -3,-1.7 11,-0.3 2,-0.4 -0.982 56.0 -73.8 174.6-162.6 9.1 -17.4 -9.1 129 367 A V E -BC 124 138A 9 9,-2.9 9,-3.4 -2,-0.3 2,-0.2 -0.983 26.6-125.6-139.1 127.5 5.7 -16.0 -8.0 130 368 A L E + C 0 137A 5 -7,-3.1 7,-0.3 -2,-0.4 2,-0.2 -0.482 42.7 171.7 -60.2 125.8 4.3 -14.1 -5.0 131 369 A I E > > + C 0 136A 43 5,-2.3 5,-1.3 -2,-0.2 3,-1.0 -0.775 45.0 42.9-130.8 176.5 1.3 -16.1 -3.6 132 370 A S G > 5S- 0 0 17 1,-0.3 3,-2.4 -2,-0.2 -1,-0.2 0.925 134.9 -50.8 51.0 55.1 -1.0 -16.0 -0.7 133 371 A E G 3 5S- 0 0 123 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.771 107.7 -56.4 51.2 31.7 -1.4 -12.2 -0.8 134 372 A G G < 5S+ 0 0 4 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.359 117.6 109.0 87.5 -5.5 2.3 -11.9 -0.8 135 373 A Q T < 5S+ 0 0 118 -3,-2.4 -94,-1.4 -4,-0.2 2,-0.3 0.237 82.8 47.1 -79.3 11.7 2.9 -13.9 2.4 136 374 A G E < -aC 41 131A 2 -5,-1.3 -5,-2.3 -96,-0.3 2,-0.3 -0.976 62.7-161.1-152.3 152.3 4.3 -16.7 0.1 137 375 A F E -aC 42 130A 30 -96,-2.1 -94,-2.3 -2,-0.3 2,-0.5 -0.914 10.0-161.0-143.1 114.5 6.6 -17.1 -2.9 138 376 A M E -aC 43 129A 19 -9,-3.4 -9,-2.9 -2,-0.3 -94,-0.2 -0.840 22.1-123.4 -99.0 129.9 6.5 -20.1 -5.2 139 377 A T E > - C 0 128A 22 -96,-2.4 4,-1.3 -2,-0.5 -11,-0.3 -0.320 5.6-134.8 -72.9 152.4 9.6 -20.9 -7.3 140 378 A R H > S+ 0 0 34 -13,-3.6 4,-0.9 1,-0.2 3,-0.2 0.902 108.8 56.7 -59.9 -44.5 9.5 -21.2 -11.1 141 379 A E H > S+ 0 0 156 -14,-0.5 4,-0.7 1,-0.2 3,-0.2 0.843 106.2 48.7 -59.5 -36.4 11.6 -24.4 -10.7 142 380 A F H 4 S+ 0 0 5 1,-0.2 4,-0.3 -99,-0.2 -1,-0.2 0.798 106.4 55.5 -77.0 -30.1 9.1 -26.0 -8.4 143 381 A L H < S+ 0 0 20 -4,-1.3 10,-0.3 1,-0.2 -1,-0.2 0.675 105.0 57.0 -70.5 -16.7 6.2 -25.2 -10.7 144 382 A K H < S+ 0 0 113 -4,-0.9 -2,-0.2 -3,-0.2 -1,-0.2 0.724 96.4 60.9 -84.1 -28.2 8.3 -27.1 -13.3 145 383 A S S < S+ 0 0 82 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.583 77.9 113.3 -78.3 -9.6 8.5 -30.3 -11.3 146 384 A L - 0 0 23 -4,-0.3 5,-0.5 -3,-0.2 -3,-0.0 -0.412 65.0-132.3 -60.9 135.7 4.7 -30.5 -11.4 147 385 A R >> + 0 0 91 3,-0.2 3,-1.7 -2,-0.1 4,-0.9 0.036 58.8 14.8 -77.4-172.4 3.7 -33.6 -13.5 148 386 A K T 34 S- 0 0 136 1,-0.3 3,-0.3 2,-0.2 4,-0.2 -0.055 126.8 -13.2 52.3-133.2 1.3 -34.3 -16.3 149 387 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.548 130.6 63.7 -76.8 -1.8 -0.2 -31.2 -18.1 150 388 A F T X> S+ 0 0 32 -3,-1.7 3,-1.8 1,-0.1 4,-0.6 0.767 73.9 77.7 -99.2 -34.3 1.0 -28.7 -15.5 151 389 A G T 3< S+ 0 0 7 -4,-0.9 -5,-0.2 -5,-0.5 -1,-0.1 0.724 107.9 31.8 -51.8 -29.4 4.9 -28.7 -15.3 152 390 A D T 34 S+ 0 0 114 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.030 93.8 95.6-119.8 23.6 5.3 -26.5 -18.5 153 391 A F T <4 S+ 0 0 35 -3,-1.8 4,-0.3 -10,-0.3 -2,-0.1 0.938 87.6 39.2 -78.8 -48.0 2.2 -24.5 -18.3 154 392 A M S >X S+ 0 0 36 -4,-0.6 4,-2.3 -11,-0.2 3,-1.3 0.650 91.6 89.6 -78.5 -16.9 3.5 -21.4 -16.5 155 393 A E H 3> S+ 0 0 36 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.880 90.0 46.0 -49.3 -48.1 6.8 -21.3 -18.4 156 394 A P H 34 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.700 111.7 54.5 -69.0 -19.4 5.4 -19.1 -21.3 157 395 A K H <4 S+ 0 0 3 -3,-1.3 -2,-0.2 -4,-0.3 4,-0.2 0.792 106.7 49.3 -80.4 -34.0 3.8 -16.9 -18.6 158 396 A F H >X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 3,-1.0 0.917 106.2 60.9 -67.6 -47.3 7.1 -16.3 -16.8 159 397 A E T 3< S+ 0 0 110 -4,-2.2 -33,-0.0 -5,-0.2 0, 0.0 -0.723 113.9 30.6 -67.6 131.6 8.6 -15.4 -20.2 160 398 A F T 3> S+ 0 0 14 -2,-0.4 4,-1.0 1,-0.0 -1,-0.2 0.048 111.5 66.0 98.5 -30.5 6.3 -12.5 -20.8 161 399 A A H <> S+ 0 0 0 -3,-1.0 4,-1.0 -4,-0.2 -2,-0.2 0.699 109.0 41.6 -88.8 -29.7 6.1 -11.7 -17.1 162 400 A V H X S+ 0 0 56 -4,-2.2 4,-1.8 2,-0.2 -3,-0.2 0.914 118.0 46.1 -72.9 -50.2 9.7 -10.9 -17.5 163 401 A K H 4 S+ 0 0 131 -5,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.819 116.6 44.2 -61.5 -35.3 9.2 -9.2 -20.9 164 402 A F H >< S+ 0 0 2 -4,-1.0 3,-1.1 1,-0.2 5,-0.5 0.771 109.5 54.8 -86.2 -29.5 6.2 -7.2 -19.6 165 403 A N H >< S+ 0 0 17 -4,-1.0 3,-2.6 1,-0.2 -2,-0.2 0.869 93.3 71.4 -70.4 -31.9 7.8 -6.2 -16.3 166 404 A A T 3< S+ 0 0 65 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.586 86.2 68.6 -55.6 -11.2 10.7 -4.8 -18.3 167 405 A L T < S- 0 0 22 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.442 97.8-141.1 -86.4 1.5 8.2 -2.0 -19.2 168 406 A E < + 0 0 141 -3,-2.6 2,-0.1 1,-0.1 -3,-0.1 0.839 33.0 178.0 35.1 46.9 8.3 -0.8 -15.6 169 407 A L - 0 0 4 -5,-0.5 2,-0.2 -4,-0.1 -1,-0.1 -0.470 13.1-148.3 -68.3 144.3 4.5 -0.1 -15.7 170 408 A D > - 0 0 56 -2,-0.1 4,-3.7 1,-0.1 5,-0.2 -0.613 30.6 -93.2-108.2 176.8 3.0 1.2 -12.5 171 409 A D H > S+ 0 0 14 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.871 126.7 49.9 -51.3 -39.3 -0.5 0.9 -10.8 172 410 A S H > S+ 0 0 22 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.884 113.9 45.7 -73.2 -34.4 -1.7 4.1 -12.5 173 411 A D H >> S+ 0 0 1 -3,-0.2 4,-1.7 2,-0.2 3,-1.2 0.963 111.5 52.0 -62.9 -54.9 -0.5 2.9 -15.8 174 412 A L H 3X S+ 0 0 2 -4,-3.7 4,-2.7 1,-0.3 5,-0.2 0.861 98.2 67.0 -55.5 -38.2 -2.0 -0.5 -15.3 175 413 A A H 3X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.3 0.855 107.1 38.0 -48.5 -43.5 -5.4 0.9 -14.5 176 414 A I H - 0 0 2 -2,-1.9 3,-0.9 -3,-0.4 13,-0.1 -0.918 41.6-159.5-113.9 115.7 -12.7 -4.1 -26.6 185 423 A G T 3 S+ 0 0 6 -2,-0.6 5,-0.1 1,-0.2 12,-0.1 0.377 77.6 76.7 -75.3 2.2 -15.3 -4.3 -29.3 186 424 A D T 3 + 0 0 93 3,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.156 61.8 127.1-101.0 17.7 -14.0 -7.3 -31.2 187 425 A R S X S- 0 0 13 -3,-0.9 3,-1.4 1,-0.1 -80,-0.1 -0.549 71.2-100.7 -71.7 135.6 -15.3 -9.9 -28.7 188 426 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -78,-0.1 -0.228 103.6 19.3 -48.6 141.9 -17.3 -12.7 -30.2 189 427 A G T 3 S+ 0 0 63 1,-0.2 2,-0.2 -3,-0.1 -83,-0.1 0.585 78.2 154.6 75.0 12.0 -21.1 -12.2 -29.7 190 428 A L < - 0 0 23 -3,-1.4 3,-0.3 1,-0.1 -1,-0.2 -0.548 29.0-160.8 -72.9 138.8 -21.2 -8.5 -28.9 191 429 A L S S+ 0 0 98 1,-0.2 2,-0.6 -2,-0.2 -1,-0.1 0.931 81.6 28.5 -84.2 -51.0 -24.5 -6.9 -29.8 192 430 A N > + 0 0 79 1,-0.2 4,-0.7 -92,-0.1 -1,-0.2 -0.811 63.0 166.7-119.3 90.4 -23.5 -3.2 -30.0 193 431 A V H > + 0 0 52 -2,-0.6 4,-1.8 -3,-0.3 3,-0.5 0.904 66.6 67.7 -66.7 -44.7 -19.9 -2.8 -31.0 194 432 A K H > S+ 0 0 158 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.826 96.9 48.3 -52.2 -49.3 -20.0 0.9 -31.8 195 433 A P H > S+ 0 0 50 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.858 111.2 52.6 -63.9 -37.9 -20.6 2.4 -28.2 196 434 A I H X S+ 0 0 0 -4,-0.7 4,-3.5 -3,-0.5 -2,-0.2 0.884 107.0 52.6 -57.0 -46.9 -17.8 0.2 -26.8 197 435 A E H X S+ 0 0 85 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.919 107.1 50.6 -62.5 -42.9 -15.4 1.5 -29.5 198 436 A D H X S+ 0 0 88 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.890 113.8 47.5 -61.1 -35.6 -16.1 5.2 -28.7 199 437 A I H X S+ 0 0 33 -4,-1.6 4,-1.7 -5,-0.2 3,-0.3 0.971 112.8 47.1 -68.0 -52.8 -15.4 4.2 -25.0 200 438 A Q H X S+ 0 0 27 -4,-3.5 4,-3.4 1,-0.2 -2,-0.2 0.842 107.7 56.8 -55.9 -40.8 -12.2 2.3 -25.9 201 439 A D H X S+ 0 0 80 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.899 106.6 49.0 -60.3 -41.7 -10.9 5.2 -28.1 202 440 A N H X S+ 0 0 77 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.899 114.8 45.6 -60.8 -41.1 -11.2 7.6 -25.1 203 441 A L H X S+ 0 0 3 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.939 107.5 56.5 -69.2 -49.5 -9.3 5.2 -22.9 204 442 A L H X S+ 0 0 33 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.811 112.2 44.9 -46.6 -35.9 -6.7 4.5 -25.6 205 443 A Q H X S+ 0 0 80 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.867 109.0 52.5 -81.9 -42.1 -6.0 8.3 -25.6 206 444 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.968 113.8 46.8 -55.8 -51.9 -6.0 8.7 -21.8 207 445 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.911 106.4 56.7 -49.0 -56.2 -3.4 5.9 -21.7 208 446 A E H X S+ 0 0 78 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.906 113.5 41.3 -42.5 -49.4 -1.3 7.4 -24.6 209 447 A L H X S+ 0 0 32 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.931 110.1 57.0 -68.3 -49.3 -1.1 10.6 -22.5 210 448 A Q H X S+ 0 0 9 -4,-2.8 4,-3.9 1,-0.2 5,-0.3 0.878 109.9 46.5 -46.0 -46.0 -0.5 8.7 -19.2 211 449 A L H X S+ 0 0 5 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.864 111.9 47.4 -75.0 -40.1 2.5 7.1 -20.8 212 450 A K H < S+ 0 0 119 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.935 121.2 40.6 -65.7 -40.5 4.0 10.1 -22.2 213 451 A L H < S+ 0 0 96 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.992 120.2 39.1 -66.4 -64.1 3.5 11.9 -18.9 214 452 A N H < S+ 0 0 68 -4,-3.9 -3,-0.2 1,-0.3 -1,-0.2 0.705 131.9 25.9 -65.6 -24.5 4.4 9.1 -16.4 215 453 A H >< + 0 0 26 -4,-1.6 3,-1.0 -5,-0.3 -1,-0.3 -0.733 64.2 169.0-138.3 88.4 7.4 7.9 -18.5 216 454 A P T 3 S+ 0 0 106 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.679 76.1 54.6 -81.9 -9.2 8.8 10.6 -20.8 217 455 A E T 3 S+ 0 0 145 1,-0.2 3,-0.1 2,-0.0 -5,-0.1 -0.086 83.3 79.5-114.8 28.3 11.8 8.6 -21.7 218 456 A S < - 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0 0 21 3,-0.3 -11,-0.0 -11,-0.0 -7,-0.0 -0.686 360.0-150.4 69.0 55.6 -24.4 -16.5 -17.2 270 688 B K S > S+ 0 0 108 1,-0.2 4,-1.1 -2,-0.1 -12,-0.1 0.912 87.9 47.6 -74.7 -44.8 -26.3 -16.4 -13.9 271 689 B I H >> S+ 0 0 56 2,-0.2 4,-2.3 -14,-0.1 3,-0.5 0.950 106.6 58.5 -65.4 -53.2 -23.5 -15.4 -11.4 272 690 B L H 34 S+ 0 0 1 1,-0.2 -3,-0.3 2,-0.2 2,-0.1 -0.683 104.1 49.0 -63.3 133.2 -22.1 -12.6 -13.6 273 691 B H H 3> S+ 0 0 31 -2,-0.4 4,-4.7 -5,-0.1 -1,-0.2 -0.550 108.3 52.6 122.6 -65.5 -25.4 -10.6 -13.7 274 692 B R H