==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 12-NOV-07 3BC5 . COMPND 2 MOLECULE: PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.K.MUCKELBAUER . 263 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13742.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.7 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 . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 0 0 1 2 1 1 0 0 0 0 0 0 0 1 0 2 0 2 0 0 0 0 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 . 1 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 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 1 202 A M 0 0 140 0, 0.0 2,-0.3 0, 0.0 208,-0.0 0.000 360.0 360.0 360.0 168.2 29.3 26.8 34.6 2 203 A Q - 0 0 88 2,-0.0 2,-0.8 0, 0.0 5,-0.1 -0.954 360.0-112.8-143.0 153.7 25.5 26.5 33.9 3 204 A L + 0 0 174 -2,-0.3 3,-0.0 4,-0.1 0, 0.0 -0.846 58.3 133.3 -92.2 110.4 23.2 25.5 31.1 4 205 A N S > S- 0 0 60 -2,-0.8 4,-2.0 1,-0.0 5,-0.2 -0.856 72.7 -87.4-144.1 174.6 21.4 28.6 29.9 5 206 A P H > S+ 0 0 90 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.832 124.5 56.1 -58.6 -31.3 20.5 30.3 26.5 6 207 A E H > S+ 0 0 125 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.894 108.7 44.7 -65.8 -45.0 23.9 32.2 26.6 7 208 A S H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.903 109.9 55.9 -66.8 -41.3 26.0 29.0 26.9 8 209 A A H X S+ 0 0 55 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.840 107.3 49.6 -59.4 -37.9 24.0 27.2 24.2 9 210 A D H X S+ 0 0 113 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.862 107.4 54.9 -66.5 -39.1 24.8 30.1 21.8 10 211 A L H X S+ 0 0 17 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.884 109.5 47.2 -62.2 -39.8 28.5 29.7 22.7 11 212 A R H X S+ 0 0 91 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.849 112.1 49.1 -68.4 -37.3 28.4 26.0 21.8 12 213 A A H X S+ 0 0 59 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.925 109.3 52.7 -71.7 -42.4 26.6 26.8 18.5 13 214 A L H X S+ 0 0 21 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.945 110.2 49.1 -46.7 -53.5 29.2 29.5 17.8 14 215 A A H X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.867 111.5 48.0 -58.7 -43.9 31.9 26.8 18.4 15 216 A K H X S+ 0 0 111 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.898 112.0 50.4 -61.2 -42.8 30.2 24.3 16.1 16 217 A H H X S+ 0 0 76 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.905 111.6 46.8 -65.4 -45.2 29.8 26.9 13.4 17 218 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.878 112.2 51.4 -63.6 -38.6 33.5 27.9 13.6 18 219 A Y H X S+ 0 0 65 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.944 109.1 49.6 -65.7 -47.9 34.5 24.3 13.5 19 220 A D H X S+ 0 0 74 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.885 113.1 46.8 -55.8 -42.2 32.4 23.6 10.4 20 221 A S H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.874 109.4 54.5 -66.6 -39.3 33.9 26.7 8.6 21 222 A Y H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 107.1 50.1 -60.6 -45.0 37.4 25.6 9.6 22 223 A I H < S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.8 47.0 -60.2 -39.3 36.8 22.2 8.0 23 224 A K H < S+ 0 0 180 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.883 117.3 41.7 -67.9 -39.9 35.6 24.0 4.9 24 225 A S H < S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.803 111.6 50.8 -81.7 -30.5 38.5 26.4 4.7 25 226 A F < - 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.0 -0.927 57.3-170.6-119.7 109.6 41.5 24.3 5.6 26 227 A P S S+ 0 0 93 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.789 80.9 56.5 -72.9 -28.9 42.0 21.0 3.7 27 228 A L S S- 0 0 37 4,-0.1 2,-0.1 3,-0.0 107,-0.1 -0.873 77.6-174.9-104.8 100.6 44.8 19.7 5.9 28 229 A T > - 0 0 4 -2,-0.8 4,-3.1 1,-0.1 5,-0.2 -0.410 39.8-109.5 -86.8 166.9 43.4 19.6 9.5 29 230 A K H > S+ 0 0 18 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.914 120.8 57.0 -61.0 -41.8 45.4 18.8 12.6 30 231 A A H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.939 112.0 41.4 -53.1 -52.0 43.4 15.5 12.8 31 232 A K H > S+ 0 0 113 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.937 114.6 51.2 -59.2 -51.6 44.6 14.6 9.2 32 233 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.897 109.7 50.3 -55.7 -43.9 48.2 15.8 9.8 33 234 A R H X S+ 0 0 69 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.849 108.9 51.0 -64.7 -36.9 48.5 13.8 13.0 34 235 A A H X>S+ 0 0 28 -4,-1.5 4,-1.3 -5,-0.3 5,-1.2 0.886 112.7 46.5 -69.7 -38.8 47.3 10.6 11.3 35 236 A I H <5S+ 0 0 39 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.972 113.5 50.3 -59.6 -51.7 49.9 11.1 8.5 36 237 A L H <5S+ 0 0 32 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.826 115.4 40.5 -56.8 -40.2 52.6 11.9 11.2 37 238 A T H <5S- 0 0 93 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.655 112.4-118.4 -87.7 -19.5 51.9 8.7 13.3 38 239 A G T <5 + 0 0 59 -4,-1.3 2,-1.1 -3,-0.4 -3,-0.2 0.550 70.0 132.3 98.5 12.1 51.4 6.5 10.2 39 240 A K < 0 0 159 -5,-1.2 -1,-0.1 -6,-0.2 -2,-0.1 -0.694 360.0 360.0 -96.9 82.1 47.8 5.5 10.7 40 241 A T 0 0 138 -2,-1.1 -5,-0.1 -5,-0.1 -9,-0.0 -0.583 360.0 360.0-164.3 360.0 46.3 6.1 7.2 41 ! 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 42 245 A S 0 0 162 0, 0.0 -6,-0.1 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 114.8 52.5 8.1 3.2 43 246 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 93,-0.3 -0.224 360.0-116.0 -72.1 148.6 54.7 11.2 2.8 44 247 A F E -a 136 0A 57 91,-2.6 93,-2.3 11,-0.1 2,-0.5 -0.677 35.8-131.8 -74.6 125.3 58.2 11.2 1.1 45 248 A V E -a 137 0A 69 -2,-0.5 2,-0.7 91,-0.2 93,-0.2 -0.702 13.8-158.9 -91.2 129.3 60.8 12.2 3.7 46 249 A I E +a 138 0A 2 91,-3.3 93,-2.7 -2,-0.5 96,-0.2 -0.908 34.2 142.7-102.3 108.3 63.3 14.9 3.0 47 250 A Y + 0 0 143 -2,-0.7 2,-0.3 91,-0.2 -1,-0.1 0.457 65.9 14.8-124.3 -12.6 66.3 14.4 5.4 48 251 A D S > S- 0 0 54 1,-0.1 4,-2.1 94,-0.0 -1,-0.2 -0.914 87.5 -86.3-154.3 176.1 69.3 15.3 3.2 49 252 A M H > S+ 0 0 84 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.886 124.2 51.6 -59.1 -41.6 70.3 16.9 -0.1 50 253 A N H > S+ 0 0 103 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 111.8 44.1 -60.6 -46.0 69.8 13.6 -2.0 51 254 A S H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.778 108.4 60.3 -73.9 -26.9 66.2 13.1 -0.7 52 255 A L H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.952 108.8 42.5 -59.2 -51.8 65.4 16.7 -1.3 53 256 A M H X S+ 0 0 107 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.894 115.2 48.8 -61.9 -44.9 66.2 16.3 -5.0 54 257 A M H X S+ 0 0 80 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.797 111.3 52.1 -62.3 -32.7 64.3 12.9 -5.2 55 258 A G H X S+ 0 0 0 -4,-1.7 4,-3.4 2,-0.2 -2,-0.2 0.830 101.6 57.5 -77.1 -36.0 61.4 14.5 -3.4 56 259 A E H < S+ 0 0 63 -4,-2.0 5,-0.2 1,-0.2 -1,-0.2 0.788 111.4 46.4 -60.4 -27.8 61.2 17.4 -5.8 57 260 A D H < S+ 0 0 136 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.862 118.7 38.9 -78.3 -40.9 60.8 14.6 -8.4 58 261 A K H < S+ 0 0 117 -4,-1.7 2,-0.6 -5,-0.1 -2,-0.2 0.894 101.8 76.4 -78.6 -42.3 58.2 12.6 -6.5 59 262 A I S < S- 0 0 7 -4,-3.4 2,-1.1 -5,-0.1 -1,-0.0 -0.611 74.1-142.0 -79.6 117.2 56.1 15.5 -5.0 60 263 A K - 0 0 75 -2,-0.6 2,-0.2 72,-0.1 75,-0.1 -0.710 26.5-157.2 -73.6 99.6 53.7 17.1 -7.5 61 264 A F - 0 0 94 -2,-1.1 13,-0.0 -5,-0.2 -5,-0.0 -0.555 19.4-145.4 -79.4 146.7 54.0 20.7 -6.4 62 265 A K 0 0 92 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.760 360.0 360.0 -78.2 -29.4 51.3 23.3 -7.1 63 266 A H 0 0 95 11,-0.0 -2,-0.1 0, 0.0 11,-0.0 -0.694 360.0 360.0 -89.4 360.0 53.9 26.1 -7.6 64 ! 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 65 275 A K 0 0 241 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 112.7 68.5 27.9 -8.5 66 276 A E >> - 0 0 75 1,-0.1 4,-2.4 4,-0.0 3,-0.8 -0.304 360.0-119.4 -73.6 144.2 70.0 27.0 -5.1 67 277 A V H 3> S+ 0 0 31 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.809 110.7 51.1 -54.7 -42.3 68.3 24.7 -2.6 68 278 A A H 3> S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.844 114.0 46.5 -64.7 -34.2 67.9 27.2 0.3 69 279 A I H <> S+ 0 0 55 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.890 109.8 52.7 -72.6 -42.7 66.3 29.6 -2.1 70 280 A R H X S+ 0 0 81 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.888 111.2 47.7 -57.7 -40.7 64.0 26.9 -3.6 71 281 A I H X S+ 0 0 25 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.930 109.6 52.5 -66.9 -46.0 62.9 26.1 -0.0 72 282 A F H X S+ 0 0 40 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.870 110.4 48.5 -55.3 -41.8 62.3 29.9 0.7 73 283 A Q H X S+ 0 0 56 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.902 108.5 53.5 -66.8 -45.0 60.1 30.1 -2.4 74 284 A G H X S+ 0 0 43 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.884 110.8 46.9 -53.8 -42.5 58.1 27.0 -1.5 75 285 A C H X S+ 0 0 63 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.828 110.6 52.9 -71.3 -34.3 57.4 28.6 1.9 76 286 A Q H X S+ 0 0 8 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.934 113.2 42.3 -66.1 -48.9 56.4 31.9 0.3 77 287 A F H X S+ 0 0 86 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.893 115.3 49.4 -64.9 -41.7 53.9 30.2 -2.1 78 288 A R H X S+ 0 0 104 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.929 111.1 53.0 -57.2 -43.8 52.6 27.9 0.7 79 289 A S H X S+ 0 0 15 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.881 107.5 47.7 -63.2 -41.4 52.3 31.1 2.8 80 290 A V H X S+ 0 0 26 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.866 111.1 52.3 -70.3 -34.4 50.2 33.0 0.1 81 291 A E H X S+ 0 0 102 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.911 107.8 52.9 -59.7 -44.6 47.9 30.0 -0.2 82 292 A A H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.881 103.4 56.4 -58.2 -40.9 47.5 30.0 3.6 83 293 A V H X S+ 0 0 13 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.879 107.5 49.5 -62.8 -35.9 46.5 33.7 3.5 84 294 A Q H X S+ 0 0 150 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.899 112.8 45.7 -62.7 -47.7 43.7 32.8 1.0 85 295 A E H X S+ 0 0 23 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.893 114.1 48.2 -60.5 -43.1 42.5 30.0 3.3 86 296 A I H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.854 110.3 52.6 -69.7 -36.1 42.6 32.2 6.4 87 297 A T H X S+ 0 0 40 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.936 108.7 49.5 -62.7 -49.0 40.8 35.0 4.5 88 298 A E H < S+ 0 0 108 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.867 114.2 46.6 -56.0 -41.0 38.0 32.5 3.6 89 299 A Y H >X S+ 0 0 0 -4,-2.0 3,-1.4 2,-0.2 4,-0.5 0.917 106.8 55.5 -68.3 -47.9 37.8 31.4 7.2 90 300 A A H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 6,-0.2 0.888 102.5 58.9 -50.5 -41.3 37.8 34.9 8.7 91 301 A K T 3< S+ 0 0 114 -4,-1.8 6,-0.4 1,-0.3 -1,-0.3 0.712 100.7 55.5 -65.9 -20.5 34.8 35.7 6.5 92 302 A S T <4 S+ 0 0 30 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.580 79.7 106.3 -86.3 -9.8 32.8 32.9 8.2 93 303 A I S X< S- 0 0 1 -3,-1.8 3,-2.7 -4,-0.5 4,-0.4 -0.581 87.9-108.0 -72.0 114.4 33.5 34.4 11.7 94 304 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.199 101.8 14.5 -55.8 127.3 30.0 35.8 12.6 95 305 A G T 3 S+ 0 0 26 -4,-0.1 4,-0.3 4,-0.0 3,-0.3 0.161 97.1 104.4 96.9 -15.4 30.1 39.6 12.4 96 306 A F S X S+ 0 0 0 -3,-2.7 3,-1.3 1,-0.2 -5,-0.1 0.919 78.2 49.0 -67.5 -44.9 33.4 39.8 10.6 97 307 A V T 3 S+ 0 0 78 -4,-0.4 -1,-0.2 -6,-0.4 4,-0.1 0.690 105.4 60.5 -70.9 -17.2 32.0 40.7 7.1 98 308 A N T 3 S+ 0 0 140 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.473 85.5 95.6 -84.5 -7.0 29.9 43.5 8.7 99 309 A L S < S- 0 0 19 -3,-1.3 5,-0.1 -4,-0.3 -4,-0.0 -0.510 100.5 -77.7 -73.6 154.9 33.0 45.3 10.0 100 310 A D >> - 0 0 78 -2,-0.2 4,-2.1 1,-0.1 3,-1.5 -0.315 42.2-121.9 -54.4 134.1 34.3 48.1 7.7 101 311 A L H 3> S+ 0 0 119 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.808 112.1 57.2 -50.8 -35.8 36.2 46.5 4.8 102 312 A N H 3> S+ 0 0 76 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.835 107.0 46.3 -64.0 -36.3 39.3 48.4 5.8 103 313 A D H <> S+ 0 0 1 -3,-1.5 4,-2.9 2,-0.2 5,-0.2 0.868 106.9 59.6 -75.7 -35.6 39.4 46.9 9.3 104 314 A Q H X S+ 0 0 15 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.919 110.4 41.1 -51.4 -48.9 38.7 43.5 7.8 105 315 A V H X S+ 0 0 77 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.855 113.3 53.3 -73.9 -34.8 42.0 43.8 5.8 106 316 A T H X S+ 0 0 15 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.899 109.9 48.8 -62.9 -44.5 43.9 45.4 8.7 107 317 A L H X S+ 0 0 0 -4,-2.9 4,-1.0 2,-0.2 -2,-0.2 0.867 115.3 43.7 -57.7 -43.2 42.9 42.4 10.9 108 318 A L H X S+ 0 0 19 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.890 111.1 55.0 -74.2 -42.3 43.9 39.9 8.3 109 319 A K H < S+ 0 0 43 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.918 117.8 33.3 -57.6 -50.0 47.2 41.8 7.5 110 320 A Y H < S+ 0 0 41 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.662 124.1 47.3 -82.1 -15.1 48.4 41.8 11.1 111 321 A G H X S+ 0 0 1 -4,-1.0 4,-1.9 -5,-0.2 3,-0.2 0.726 87.0 79.4 -99.7 -26.6 46.9 38.4 12.0 112 322 A V H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 -3,-0.1 0.838 92.7 49.6 -61.4 -40.2 47.7 36.0 9.2 113 323 A H H > S+ 0 0 5 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.901 109.3 52.5 -67.7 -37.6 51.3 35.1 10.2 114 324 A E H > S+ 0 0 9 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.917 113.7 44.3 -58.2 -44.5 50.2 34.4 13.8 115 325 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.920 110.8 55.8 -66.1 -42.5 47.5 32.0 12.4 116 326 A I H X S+ 0 0 23 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.903 110.7 42.4 -56.7 -46.4 50.1 30.5 9.9 117 327 A Y H X S+ 0 0 18 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.866 112.5 54.7 -71.3 -36.9 52.6 29.6 12.7 118 328 A T H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.941 115.2 38.8 -52.4 -53.8 49.7 28.3 15.0 119 329 A M H >X S+ 0 0 27 -4,-2.6 3,-0.7 1,-0.2 4,-0.6 0.823 107.1 64.7 -74.1 -31.8 48.5 26.0 12.2 120 330 A L H >< S+ 0 0 36 -4,-2.1 3,-1.8 -5,-0.3 4,-0.3 0.896 94.1 61.7 -55.9 -42.4 52.1 25.1 11.2 121 331 A A H >< S+ 0 0 1 -4,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.858 94.6 62.6 -51.6 -38.6 52.5 23.5 14.6 122 332 A S H << S+ 0 0 4 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.795 104.7 47.6 -55.0 -29.2 49.7 21.1 13.6 123 333 A L T << S+ 0 0 23 -3,-1.8 7,-2.2 -4,-0.6 2,-0.3 0.390 103.7 83.6 -96.5 0.5 52.0 19.8 10.8 124 334 A M B < +B 129 0A 1 -3,-1.7 2,-0.2 -4,-0.3 5,-0.2 -0.768 43.0 172.4-108.9 144.9 55.1 19.4 13.0 125 335 A N - 0 0 45 3,-2.3 3,-0.2 -2,-0.3 37,-0.1 -0.687 58.3 -84.6-125.3-166.6 56.5 16.9 15.4 126 336 A K S S+ 0 0 144 -2,-0.2 3,-0.1 1,-0.2 14,-0.1 0.781 127.6 48.9 -73.2 -20.3 60.0 17.0 17.0 127 337 A D S S- 0 0 90 1,-0.2 13,-2.8 13,-0.1 14,-0.4 0.705 120.1 -53.5 -89.1 -27.4 61.6 15.4 13.9 128 338 A G E - C 0 139A 0 11,-0.3 -3,-2.3 -3,-0.2 2,-0.4 -0.977 51.4 -76.9 177.3-162.0 60.1 17.6 11.1 129 339 A V E -BC 124 138A 9 9,-2.4 9,-3.0 -2,-0.3 2,-0.3 -0.975 32.3-115.8-136.2 139.9 57.2 19.2 9.2 130 340 A L E - C 0 137A 6 -7,-2.2 2,-0.3 -2,-0.4 7,-0.3 -0.575 36.8-170.1 -68.7 130.6 54.6 18.2 6.7 131 341 A I E >> + C 0 136A 38 5,-3.3 5,-2.3 -2,-0.3 4,-0.6 -0.879 54.3 18.3-120.7 159.2 55.1 20.0 3.3 132 342 A S T >45S- 0 0 35 -2,-0.3 3,-2.6 1,-0.2 -1,-0.2 0.920 133.4 -45.4 48.6 68.8 52.9 20.2 0.2 133 343 A E T 345S- 0 0 86 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.0 0.757 113.4 -53.3 49.6 34.1 49.5 19.1 1.6 134 344 A G T 345S+ 0 0 10 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.524 111.0 117.6 82.2 7.6 51.2 16.2 3.4 135 345 A Q T <<5S+ 0 0 82 -3,-2.6 -91,-2.6 -4,-0.6 2,-0.3 0.861 78.7 34.4 -71.7 -35.2 52.9 14.8 0.4 136 346 A G E < -aC 44 131A 0 -5,-2.3 -5,-3.3 -93,-0.3 2,-0.4 -0.835 62.2-153.4-122.2 161.4 56.3 15.4 1.9 137 347 A F E -aC 45 130A 26 -93,-2.3 -91,-3.3 -2,-0.3 2,-0.5 -0.966 14.4-162.8-131.5 113.4 58.0 15.5 5.3 138 348 A M E -aC 46 129A 13 -9,-3.0 -9,-2.4 -2,-0.4 -91,-0.2 -0.850 20.8-122.1-103.1 130.0 61.0 17.8 5.8 139 349 A T E > - C 0 128A 23 -93,-2.7 4,-2.1 -2,-0.5 -11,-0.3 -0.283 6.4-132.5 -77.5 147.7 63.3 17.2 8.8 140 350 A R H > S+ 0 0 44 -13,-2.8 4,-2.3 1,-0.2 5,-0.1 0.918 110.2 47.1 -58.5 -43.7 64.1 19.7 11.5 141 351 A E H > S+ 0 0 117 -14,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.786 107.3 55.1 -73.9 -28.2 67.9 18.9 11.1 142 352 A F H 4 S+ 0 0 5 -96,-0.2 4,-0.3 2,-0.2 3,-0.3 0.924 112.0 46.0 -65.0 -39.6 67.8 19.1 7.4 143 353 A L H >< S+ 0 0 13 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.873 109.3 52.7 -67.2 -44.1 66.4 22.6 7.8 144 354 A K H 3< S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.710 104.0 61.0 -60.4 -22.8 68.9 23.5 10.5 145 355 A S T 3< S+ 0 0 79 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.526 76.7 110.8 -86.7 -11.5 71.7 22.5 8.1 146 356 A L S < >S- 0 0 13 -3,-1.0 5,-0.5 -4,-0.3 -3,-0.0 -0.370 83.7 -82.6 -64.1 147.1 70.9 25.0 5.3 147 357 A R T >>5S- 0 0 113 3,-0.2 3,-2.0 1,-0.1 4,-0.7 -0.037 70.9 -53.3 -56.6 149.3 73.5 27.7 4.9 148 358 A K T 345S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 -0.422 123.8 17.6 -56.9 133.1 73.5 30.8 7.2 149 359 A P T >45S+ 0 0 32 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 -0.955 116.7 63.0-101.8 12.0 71.0 32.5 7.5 150 360 A F G X>5S+ 0 0 20 -3,-2.0 3,-1.1 1,-0.3 4,-0.5 0.720 89.9 72.2 -71.8 -20.7 68.3 30.1 6.3 151 361 A G G 3<X S+ 0 0 30 -4,-0.5 4,-2.1 1,-0.2 3,-1.0 0.777 99.5 79.5 -86.7 -27.2 62.4 27.3 11.0 155 365 A E H 3> S+ 0 0 33 -4,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.882 94.4 48.4 -54.7 -48.4 64.0 26.4 14.4 156 366 A P H 3> S+ 0 0 20 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.791 109.4 55.1 -62.3 -24.8 62.0 28.9 16.5 157 367 A K H <> S+ 0 0 4 -3,-1.0 4,-2.4 -4,-0.3 -2,-0.2 0.901 109.5 46.6 -70.8 -40.9 58.8 27.6 14.8 158 368 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.859 111.5 51.4 -63.2 -40.6 59.7 24.1 15.9 159 369 A E H X S+ 0 0 106 -4,-2.3 4,-1.3 -5,-0.2 5,-0.2 0.953 112.7 44.7 -63.8 -50.0 60.5 25.3 19.4 160 370 A F H X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.926 113.4 53.6 -54.5 -46.1 57.1 27.0 19.7 161 371 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.850 102.4 52.9 -64.2 -42.6 55.4 23.9 18.2 162 372 A V H X S+ 0 0 61 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.923 116.1 40.8 -64.3 -39.9 56.7 21.2 20.5 163 373 A K H < S+ 0 0 107 -4,-1.3 4,-0.5 2,-0.2 -2,-0.2 0.878 118.1 48.4 -69.5 -39.0 55.5 23.2 23.6 164 374 A F H >< S+ 0 0 2 -4,-2.6 3,-1.1 1,-0.2 5,-0.4 0.905 109.9 50.8 -66.9 -43.3 52.3 24.2 21.8 165 375 A N H >< S+ 0 0 23 -4,-3.3 3,-1.8 1,-0.2 -1,-0.2 0.751 96.9 68.7 -68.2 -25.4 51.5 20.6 20.7 166 376 A A T 3< S+ 0 0 74 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.755 88.2 67.1 -63.8 -21.8 52.0 19.4 24.2 167 377 A L T < S- 0 0 26 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.640 99.8-143.9 -67.1 -16.5 48.8 21.3 25.0 168 378 A E < + 0 0 151 -3,-1.8 -3,-0.1 -4,-0.2 -2,-0.1 0.865 29.0 177.5 49.5 46.4 47.1 18.7 22.8 169 379 A L - 0 0 6 -5,-0.4 2,-0.2 4,-0.1 -1,-0.1 -0.384 14.6-147.5 -65.0 151.9 44.5 21.1 21.2 170 380 A D > - 0 0 61 -2,-0.1 4,-2.7 1,-0.0 3,-0.3 -0.666 33.1 -90.9-113.0 179.8 42.2 19.6 18.6 171 381 A D H > S+ 0 0 8 1,-0.2 4,-2.7 -2,-0.2 5,-0.1 0.874 125.7 56.1 -57.9 -41.2 40.7 21.2 15.5 172 382 A S H > S+ 0 0 36 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.882 111.5 43.1 -55.6 -44.9 37.6 22.2 17.5 173 383 A D H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 3,-0.3 0.930 114.5 50.4 -63.5 -49.6 39.8 24.1 20.0 174 384 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.850 100.0 63.7 -59.2 -40.9 42.0 25.7 17.2 175 385 A A H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.937 112.8 35.6 -51.2 -47.5 38.9 26.9 15.2 176 386 A I H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.3 -2,-0.2 0.901 114.1 56.5 -76.1 -43.3 38.0 29.2 18.1 177 387 A F H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.920 108.9 47.9 -48.9 -50.1 41.6 30.0 19.1 178 388 A I H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.871 109.5 52.6 -64.4 -39.5 42.3 31.3 15.5 179 389 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.899 107.2 52.6 -61.3 -44.8 39.1 33.4 15.5 180 390 A V H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.939 110.5 48.4 -54.8 -47.8 40.2 35.1 18.8 181 391 A I H >< S+ 0 0 2 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.908 110.4 49.5 -62.5 -44.1 43.6 35.9 17.2 182 392 A I H 3< S+ 0 0 1 -4,-2.4 2,-1.4 1,-0.2 -1,-0.2 0.917 105.1 61.8 -59.5 -41.6 42.0 37.3 14.0 183 393 A L T 3< + 0 0 0 -4,-2.3 2,-0.7 -5,-0.2 -1,-0.2 -0.271 69.1 145.9 -87.0 52.9 39.7 39.5 16.1 184 394 A S X - 0 0 6 -2,-1.4 3,-1.0 -3,-0.6 13,-0.1 -0.808 35.7-161.9 -93.3 113.7 42.3 41.6 17.9 185 395 A G T 3 S+ 0 0 9 -2,-0.7 -1,-0.1 1,-0.2 5,-0.1 0.496 81.9 71.1 -72.5 -3.5 41.1 45.2 18.6 186 396 A D T 3 + 0 0 100 2,-0.0 -1,-0.2 3,-0.0 3,-0.0 0.091 63.5 123.3-104.8 21.4 44.7 46.3 19.1 187 397 A R S X S- 0 0 16 -3,-1.0 3,-0.9 1,-0.1 -80,-0.1 -0.621 72.0 -98.7 -74.7 140.6 46.0 46.1 15.6 188 398 A P T 3 S+ 0 0 79 0, 0.0 -78,-0.1 0, 0.0 -1,-0.1 -0.298 101.6 20.2 -59.6 142.7 47.4 49.5 14.3 189 399 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 2,-0.1 -83,-0.1 0.665 79.7 158.5 78.1 20.7 45.2 51.7 12.0 190 400 A L < - 0 0 22 -3,-0.9 3,-0.3 1,-0.1 -1,-0.2 -0.602 28.8-159.3 -80.5 134.4 41.9 50.1 13.1 191 401 A L S S+ 0 0 95 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.968 81.0 22.1 -78.2 -59.4 38.9 52.4 12.4 192 402 A N > + 0 0 83 1,-0.1 4,-0.8 -92,-0.1 -1,-0.2 -0.810 64.2 170.3-117.9 87.0 36.2 51.0 14.8 193 403 A V H > S+ 0 0 61 -2,-0.6 4,-2.8 -3,-0.3 3,-0.2 0.840 70.2 65.5 -67.0 -34.5 37.8 49.0 17.6 194 404 A K H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 98.4 50.6 -60.8 -50.3 34.7 48.5 19.7 195 405 A P H > S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.855 114.1 47.4 -52.3 -38.9 32.8 46.3 17.2 196 406 A I H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.2 -2,-0.2 0.931 110.1 50.9 -66.9 -49.8 35.9 44.0 17.0 197 407 A E H X S+ 0 0 85 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.855 109.2 52.8 -57.2 -38.1 36.4 43.9 20.8 198 408 A D H X S+ 0 0 75 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.885 109.5 47.5 -63.9 -43.2 32.7 42.8 21.2 199 409 A I H X S+ 0 0 29 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.948 114.6 47.6 -62.9 -43.4 33.2 40.0 18.7 200 410 A Q H X S+ 0 0 34 -4,-2.6 4,-3.7 2,-0.2 5,-0.2 0.897 105.5 55.1 -68.4 -43.9 36.3 38.8 20.4 201 411 A D H X S+ 0 0 85 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.889 112.3 46.7 -55.5 -40.2 35.0 38.9 24.0 202 412 A N H X S+ 0 0 69 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.887 112.4 48.2 -65.0 -43.2 32.2 36.6 22.7 203 413 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.912 110.0 54.0 -62.5 -43.4 34.7 34.4 20.9 204 414 A L H X S+ 0 0 34 -4,-3.7 4,-2.7 2,-0.2 -2,-0.2 0.880 107.4 49.7 -56.5 -46.6 36.8 34.3 24.2 205 415 A Q H X S+ 0 0 112 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.893 111.5 49.3 -56.7 -43.7 33.8 33.1 26.1 206 416 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.875 112.4 48.1 -66.3 -40.1 33.2 30.4 23.5 207 417 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.927 111.0 49.9 -61.8 -50.0 36.9 29.3 23.7 208 418 A E H X S+ 0 0 78 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.914 114.1 45.3 -61.9 -39.2 36.9 29.2 27.5 209 419 A L H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.931 112.5 50.9 -66.3 -45.8 33.7 27.1 27.5 210 420 A Q H X S+ 0 0 9 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.919 111.0 48.8 -56.9 -48.1 35.1 24.8 24.8 211 421 A L H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.877 110.7 49.6 -59.4 -43.9 38.4 24.3 26.7 212 422 A K H < S+ 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.913 118.7 39.6 -63.4 -43.4 36.6 23.4 30.0 213 423 A L H < S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.850 121.4 40.7 -71.4 -41.2 34.4 20.9 28.3 214 424 A N H < S+ 0 0 59 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.726 118.4 44.3 -89.3 -19.3 36.9 19.4 25.9 215 425 A H >< + 0 0 31 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 -0.568 53.8 161.3-127.7 71.1 39.9 19.2 28.3 216 426 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.790 73.6 67.0 -60.3 -26.9 38.8 17.9 31.8 217 427 A E T 3 S+ 0 0 186 1,-0.1 2,-0.4 2,-0.1 -2,-0.0 0.581 101.5 51.0 -71.1 -12.4 42.5 17.1 32.6 218 428 A S < + 0 0 42 -3,-1.8 -1,-0.1 -7,-0.2 -3,-0.1 -0.968 40.9 172.6-136.5 130.0 43.6 20.8 32.7 219 429 A S S S+ 0 0 123 -2,-0.4 3,-0.3 1,-0.1 4,-0.3 0.601 85.8 62.1 -92.0 -18.0 42.3 23.9 34.4 220 430 A Q S > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.490 74.8 97.2 -88.1 -2.3 45.2 26.0 33.2 221 431 A L H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.837 78.6 50.3 -62.3 -45.6 44.6 25.7 29.5 222 432 A F H > S+ 0 0 41 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.959 114.1 46.8 -57.1 -49.5 42.7 28.9 28.8 223 433 A A H > S+ 0 0 65 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.847 111.7 49.9 -64.5 -38.8 45.4 31.0 30.6 224 434 A K H X S+ 0 0 75 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.907 108.9 53.4 -65.4 -41.3 48.3 29.2 28.8 225 435 A L H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.892 104.9 53.8 -58.5 -41.4 46.5 29.8 25.4 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