==== 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 TRANSCRIPTION 06-APR-09 3GZ9 . COMPND 2 MOLECULE: PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,A.SUDOM,N.P.WALKER . 262 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 76.7 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 . 8 3.1 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 . 2 0.8 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 . 1 0.4 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 . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 56.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 1 1 1 1 0 0 1 0 0 0 1 0 1 0 1 0 1 0 0 1 0 0 0 1 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 1 207 A Q >> 0 0 155 0, 0.0 4,-2.7 0, 0.0 3,-1.4 0.000 360.0 360.0 360.0 -70.1 67.4 76.2 19.0 2 208 A V H 3> + 0 0 87 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.650 360.0 40.3 -38.8 -44.5 65.7 73.0 20.4 3 209 A A H 3> S+ 0 0 81 2,-0.2 4,-1.3 3,-0.1 -1,-0.3 0.755 116.1 52.3 -78.7 -32.2 63.6 74.8 23.1 4 210 A D H <> S+ 0 0 107 -3,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.953 110.6 48.6 -53.3 -59.1 62.8 77.6 20.7 5 211 A L H X S+ 0 0 20 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.884 110.4 49.8 -53.9 -48.3 61.6 75.0 18.2 6 212 A K H X S+ 0 0 143 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.891 116.0 42.8 -61.8 -37.4 59.4 73.2 20.7 7 213 A A H X S+ 0 0 57 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.730 111.6 53.7 -81.4 -23.7 57.9 76.5 21.7 8 214 A F H X S+ 0 0 33 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.933 110.0 49.2 -75.2 -42.4 57.5 77.7 18.1 9 215 A S H X S+ 0 0 9 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.826 109.1 53.9 -60.3 -35.4 55.7 74.5 17.3 10 216 A K H X S+ 0 0 136 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.878 108.0 47.6 -66.7 -47.6 53.5 75.1 20.4 11 217 A H H X S+ 0 0 88 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.808 113.2 48.5 -61.7 -37.1 52.4 78.5 19.3 12 218 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.939 110.8 51.0 -72.1 -43.1 51.7 77.3 15.8 13 219 A Y H X S+ 0 0 73 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.869 111.3 49.1 -56.0 -39.1 49.7 74.3 17.2 14 220 A N H X S+ 0 0 81 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.863 108.7 52.1 -69.1 -42.1 47.7 76.9 19.4 15 221 A A H X S+ 0 0 5 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.894 110.6 48.8 -60.8 -41.0 47.0 79.1 16.4 16 222 A Y H >X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 3,-1.5 0.997 112.0 46.4 -64.5 -57.4 45.7 76.1 14.5 17 223 A L H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 115.4 50.9 -50.7 -33.6 43.3 75.0 17.5 18 224 A K H 3< S+ 0 0 172 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.800 118.1 32.5 -74.0 -29.7 42.2 78.5 17.8 19 225 A N H << S+ 0 0 30 -3,-1.5 2,-0.5 -4,-1.4 -2,-0.2 0.591 97.9 78.8-114.3 -17.1 41.4 79.2 14.1 20 226 A F < - 0 0 13 -4,-2.1 61,-0.0 -5,-0.2 -1,-0.0 -0.843 59.2-154.2-105.3 128.4 40.1 76.1 12.5 21 227 A N S S+ 0 0 86 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.779 83.8 44.1 -67.6 -22.5 36.4 75.0 13.2 22 228 A M - 0 0 23 -3,-0.1 2,-0.3 4,-0.0 -1,-0.1 -0.951 66.6-168.9-127.8 142.2 37.3 71.5 12.6 23 229 A T > - 0 0 29 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.838 34.4-120.9-120.7 161.8 40.2 69.3 13.7 24 230 A K H > S+ 0 0 20 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.745 113.8 61.4 -69.4 -24.6 41.3 65.9 12.6 25 231 A K H > S+ 0 0 170 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.961 109.9 39.3 -66.9 -50.8 40.9 64.8 16.2 26 232 A K H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.941 117.3 50.3 -65.4 -42.3 37.2 65.7 16.2 27 233 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.889 110.4 50.7 -56.2 -46.6 36.8 64.3 12.5 28 234 A R H X S+ 0 0 69 -4,-2.9 4,-1.0 2,-0.2 -1,-0.2 0.868 110.9 46.0 -68.0 -34.1 38.4 61.0 13.4 29 235 A S H X>S+ 0 0 34 -4,-1.7 5,-2.1 -5,-0.2 4,-1.6 0.942 113.8 49.0 -75.8 -42.8 36.3 60.3 16.5 30 236 A I H ><5S+ 0 0 22 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.978 113.0 48.7 -52.3 -53.1 33.1 61.3 14.6 31 237 A L H 3<5S+ 0 0 37 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.684 115.3 43.2 -60.9 -23.7 34.1 59.0 11.7 32 238 A T H 3<5S- 0 0 85 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.636 117.4-110.6 -95.3 -14.6 34.9 56.1 14.0 33 239 A G T <<5S+ 0 0 59 -4,-1.6 -3,-0.2 -3,-0.8 -2,-0.1 0.910 87.7 112.5 81.3 42.4 31.8 56.6 16.2 34 240 A K < 0 0 174 -5,-2.1 -4,-0.2 -6,-0.1 -5,-0.1 0.651 360.0 360.0 -94.3 -41.4 33.2 57.8 19.5 35 241 A A 0 0 74 -6,-0.8 -5,-0.2 -9,-0.2 -8,-0.1 0.797 360.0 360.0 -92.6 360.0 31.5 61.2 18.8 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 37 245 A A 0 0 126 0, 0.0 2,-0.2 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 -36.0 25.5 60.9 14.2 38 246 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 97,-0.3 -0.438 360.0-115.0 -67.5 136.0 26.5 62.8 10.9 39 247 A F E -a 135 0A 58 95,-2.9 97,-2.3 15,-0.2 2,-0.7 -0.536 31.8-126.1 -68.1 123.2 23.5 63.4 8.4 40 248 A V E -a 136 0A 64 -2,-0.3 2,-0.6 95,-0.2 97,-0.2 -0.685 21.3-162.3 -82.4 110.3 24.3 61.3 5.3 41 249 A I E +a 137 0A 3 95,-1.8 97,-1.9 -2,-0.7 100,-0.2 -0.815 34.9 136.5 -88.3 115.7 24.1 63.5 2.1 42 250 A H + 0 0 91 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.358 62.0 11.3-148.8 9.3 23.9 61.2 -0.9 43 251 A D S > S- 0 0 55 1,-0.1 4,-2.4 23,-0.0 -1,-0.3 -0.953 90.2 -72.4-172.5-176.3 21.3 62.7 -3.3 44 252 A I H > S+ 0 0 118 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.935 124.9 48.1 -58.9 -46.8 19.1 65.8 -4.1 45 253 A E H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 111.5 47.7 -70.2 -37.9 16.7 65.3 -1.2 46 254 A T H > S+ 0 0 10 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.944 109.4 54.8 -65.8 -39.1 19.4 64.8 1.5 47 255 A L H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.955 111.0 46.7 -57.9 -42.6 21.3 67.8 0.2 48 256 A W H X S+ 0 0 143 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.932 113.7 47.2 -64.1 -48.1 18.0 69.8 0.7 49 257 A Q H ><>S+ 0 0 64 -4,-2.6 3,-1.3 1,-0.2 5,-1.0 0.977 111.7 49.7 -56.5 -55.1 17.5 68.4 4.1 50 258 A A H ><>S+ 0 0 0 -4,-3.5 5,-2.4 1,-0.2 6,-1.9 0.837 113.3 47.9 -51.1 -37.6 21.1 69.1 5.1 51 259 A E H 3<5S+ 0 0 37 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.590 93.2 75.7 -83.6 -12.2 20.8 72.7 3.9 52 260 A K T <<5S- 0 0 141 -3,-1.3 -1,-0.2 -4,-1.1 -2,-0.1 0.119 132.4 -72.0 -88.9 19.0 17.5 73.4 5.7 53 261 A G T < 5S+ 0 0 46 3,-0.7 -3,-0.1 -3,-0.6 -2,-0.1 0.100 113.5 100.8 119.3 -21.8 19.5 73.6 9.0 54 262 A L T S- 0 0 69 1,-0.1 4,-2.0 0, 0.0 -1,-0.2 -0.971 80.5-107.6-154.7 162.7 21.1 71.0 -11.6 66 277 A I H > S+ 0 0 40 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.796 113.7 60.2 -64.1 -32.7 22.6 69.1 -8.7 67 278 A S H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 109.5 41.2 -64.0 -46.9 26.2 69.1 -10.2 68 279 A V H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 112.7 56.7 -64.8 -40.3 26.3 72.9 -10.2 69 280 A H H X S+ 0 0 10 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.904 110.2 42.8 -56.4 -52.1 24.7 73.0 -6.8 70 281 A V H X S+ 0 0 9 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.897 108.9 59.5 -62.2 -41.0 27.4 70.8 -5.3 71 282 A F H X S+ 0 0 14 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.924 107.6 46.5 -50.1 -43.6 30.0 72.9 -7.2 72 283 A Y H X S+ 0 0 9 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.810 107.8 55.3 -73.1 -30.4 28.7 75.9 -5.3 73 284 A R H X S+ 0 0 31 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.909 106.6 52.3 -64.7 -43.7 28.8 74.0 -2.0 74 285 A C H X S+ 0 0 51 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.881 107.7 51.9 -55.0 -45.6 32.5 73.2 -2.7 75 286 A Q H X S+ 0 0 13 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.844 105.7 55.1 -59.8 -33.4 33.0 77.0 -3.2 76 287 A C H X S+ 0 0 51 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.945 110.3 45.4 -66.0 -46.3 31.4 77.9 0.1 77 288 A T H X S+ 0 0 56 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.856 111.1 51.5 -58.6 -41.6 33.7 75.6 2.0 78 289 A T H X S+ 0 0 25 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.910 111.7 47.9 -70.1 -42.0 36.8 76.8 0.2 79 290 A V H X S+ 0 0 26 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.943 112.6 48.4 -67.8 -44.9 35.8 80.4 1.0 80 291 A E H X S+ 0 0 72 -4,-2.7 4,-2.0 -5,-0.2 3,-0.2 0.955 113.3 48.2 -59.9 -42.3 35.2 79.5 4.6 81 292 A T H X S+ 0 0 22 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.850 108.6 53.7 -67.2 -30.3 38.6 77.6 4.7 82 293 A V H X S+ 0 0 9 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.822 106.7 53.1 -68.4 -34.3 40.4 80.5 3.1 83 294 A R H X S+ 0 0 120 -4,-1.8 4,-1.6 -3,-0.2 -2,-0.2 0.959 113.0 41.3 -71.3 -45.9 39.1 82.8 5.8 84 295 A E H X S+ 0 0 15 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.937 112.0 55.8 -67.4 -39.0 40.3 80.6 8.6 85 296 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.889 105.2 54.6 -56.2 -42.4 43.7 79.9 6.9 86 297 A T H X S+ 0 0 35 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.956 110.3 44.0 -58.2 -44.0 44.2 83.7 6.7 87 298 A E H X S+ 0 0 71 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.930 112.2 53.2 -72.3 -39.3 43.7 84.1 10.5 88 299 A F H >< S+ 0 0 0 -4,-3.1 3,-2.3 1,-0.2 4,-0.5 0.987 112.4 45.1 -52.6 -52.8 45.8 81.1 11.2 89 300 A A H >< S+ 0 0 0 -4,-3.0 3,-2.7 1,-0.3 6,-0.3 0.949 100.0 65.7 -63.2 -43.4 48.6 82.7 9.1 90 301 A K H 3< S+ 0 0 120 -4,-2.7 -1,-0.3 1,-0.3 6,-0.2 0.711 107.5 47.4 -53.5 -12.4 48.1 86.1 10.7 91 302 A S T << S+ 0 0 44 -3,-2.3 -1,-0.3 -4,-0.7 -2,-0.2 0.436 81.0 108.0-106.9 -4.8 49.4 84.2 13.8 92 303 A I S X> S- 0 0 3 -3,-2.7 3,-2.7 -4,-0.5 4,-0.8 -0.581 91.5 -83.2 -71.1 138.1 52.4 82.3 12.5 93 304 A P T 34 S- 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.232 107.1 -11.6 -51.8 108.1 55.6 84.0 13.9 94 305 A S T 34 S+ 0 0 43 -2,-0.2 104,-0.1 -4,-0.1 -4,-0.1 0.567 99.8 111.3 78.8 13.2 56.5 86.9 11.7 95 306 A F T X4 S+ 0 0 0 -3,-2.7 3,-1.9 -6,-0.3 -5,-0.1 0.900 79.9 56.6 -68.0 -40.7 54.1 86.1 9.0 96 307 A G T 3< S+ 0 0 45 -4,-0.8 -1,-0.2 1,-0.3 -6,-0.1 0.665 102.2 55.8 -63.0 -21.9 52.3 89.3 10.3 97 308 A S T 3 S+ 0 0 80 2,-0.1 -1,-0.3 6,-0.0 -2,-0.1 0.247 82.4 101.3 -98.9 1.7 55.5 91.3 9.7 98 309 A L S < S- 0 0 13 -3,-1.9 2,-0.1 1,-0.1 -4,-0.0 -0.418 96.5 -75.4 -73.3 167.0 56.0 90.5 6.0 99 310 A F >> - 0 0 147 1,-0.1 4,-2.1 -2,-0.1 3,-1.6 -0.455 46.1-118.3 -60.6 140.7 54.9 93.2 3.6 100 311 A L H 3> S+ 0 0 121 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.858 114.0 53.7 -59.5 -34.7 51.1 93.1 3.5 101 312 A N H 3> S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.764 105.5 52.8 -65.1 -31.3 51.2 92.3 -0.2 102 313 A D H <> S+ 0 0 2 -3,-1.6 4,-3.0 2,-0.2 5,-0.2 0.860 106.4 53.7 -73.4 -35.2 53.5 89.4 0.3 103 314 A Q H X S+ 0 0 18 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.930 111.3 45.4 -57.0 -47.5 51.1 88.0 2.9 104 315 A V H X S+ 0 0 95 -4,-1.9 4,-4.6 2,-0.2 -2,-0.2 0.899 112.9 50.1 -63.2 -44.9 48.3 88.2 0.3 105 316 A T H X S+ 0 0 23 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.925 110.2 50.6 -60.9 -46.1 50.6 86.6 -2.4 106 317 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.921 116.8 41.1 -59.9 -49.2 51.5 83.8 0.0 107 318 A L H X S+ 0 0 20 -4,-2.8 4,-1.8 -5,-0.2 5,-0.2 0.951 110.4 55.4 -64.7 -49.8 47.8 83.2 0.7 108 319 A K H < S+ 0 0 44 -4,-4.6 4,-0.4 1,-0.2 -2,-0.2 0.964 120.3 33.5 -38.8 -57.7 46.6 83.7 -2.9 109 320 A Y H < S+ 0 0 71 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.640 123.6 40.9 -84.5 -17.8 49.1 80.9 -3.9 110 321 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 5,-0.2 0.645 87.5 83.5-104.7 -6.5 49.1 78.6 -0.9 111 322 A V H X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 5,-0.2 0.904 91.1 49.7 -67.4 -33.5 45.5 78.3 0.3 112 323 A H H > S+ 0 0 13 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.935 110.9 50.3 -76.5 -39.2 44.3 75.5 -2.1 113 324 A E H > S+ 0 0 10 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.947 115.4 43.7 -52.0 -50.3 47.3 73.4 -1.3 114 325 A A H >X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.6 0.960 113.5 52.9 -60.6 -42.0 46.6 73.8 2.5 115 326 A I H 3X S+ 0 0 3 -4,-3.4 4,-1.9 1,-0.3 -1,-0.2 0.861 106.9 49.4 -66.0 -41.6 43.0 73.3 1.9 116 327 A F H 3X S+ 0 0 13 -4,-2.5 4,-0.6 2,-0.2 -1,-0.3 0.744 111.0 51.6 -68.4 -31.5 43.4 70.0 0.1 117 328 A A H << S+ 0 0 0 -4,-1.4 4,-0.3 -3,-0.6 -2,-0.2 0.868 113.5 44.9 -64.3 -46.5 45.7 68.7 2.9 118 329 A M H >< S+ 0 0 24 -4,-2.9 3,-1.1 1,-0.2 4,-0.3 0.783 101.4 62.4 -74.3 -28.6 43.2 69.6 5.5 119 330 A L H >< S+ 0 0 42 -4,-1.9 3,-2.7 1,-0.3 4,-0.4 0.876 93.5 70.5 -57.1 -31.8 40.1 68.2 3.7 120 331 A A G >< S+ 0 0 2 -4,-0.6 3,-1.0 1,-0.3 -1,-0.3 0.723 85.1 63.9 -58.2 -29.9 41.9 64.9 4.0 121 332 A S G < S+ 0 0 8 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.704 102.9 51.2 -59.4 -30.4 41.4 64.9 7.8 122 333 A L G < S+ 0 0 23 -3,-2.7 7,-2.3 -4,-0.3 2,-0.2 0.517 98.2 97.1 -87.8 -0.4 37.6 64.7 7.0 123 334 A V E < +B 128 0A 3 -3,-1.0 2,-0.3 -4,-0.4 5,-0.2 -0.599 35.8 165.0-108.3 139.0 37.9 61.7 4.6 124 335 A N E > -B 127 0A 43 3,-2.6 3,-1.0 -2,-0.2 37,-0.1 -0.800 61.2 -87.0-129.7 174.7 37.6 57.9 4.7 125 336 A K T 3 S+ 0 0 149 -2,-0.3 3,-0.1 1,-0.2 36,-0.1 0.794 125.4 48.8 -50.7 -27.6 37.3 55.6 1.6 126 337 A D T 3 S- 0 0 85 1,-0.1 13,-2.8 13,-0.1 14,-0.5 0.552 122.5 -51.7 -94.7 -17.1 33.4 56.2 1.6 127 338 A G E < -BC 124 138A 0 -3,-1.0 -3,-2.6 11,-0.3 2,-0.3 -0.971 55.3 -96.7 174.4-161.6 33.0 59.9 1.9 128 339 A L E -BC 123 137A 24 9,-1.8 9,-2.7 -2,-0.3 -5,-0.2 -0.991 27.4-108.3-150.1 147.7 34.0 62.9 4.0 129 340 A L E - C 0 136A 1 -7,-2.3 2,-0.3 -2,-0.3 7,-0.3 -0.450 39.2-170.6 -69.0 147.4 32.6 65.0 6.9 130 341 A V E >>> + C 0 135A 27 5,-2.3 3,-2.3 -2,-0.1 5,-1.3 -0.813 49.9 18.6-137.4 174.1 31.4 68.4 6.0 131 342 A A T 345S- 0 0 28 -2,-0.3 -75,-0.1 1,-0.3 -76,-0.0 -0.330 133.5 -35.3 49.5-139.1 30.3 71.5 7.8 132 343 A N T 345S- 0 0 72 -77,-0.3 -1,-0.3 1,-0.1 -3,-0.0 -0.009 108.7 -64.2-109.9 45.6 31.7 70.9 11.2 133 344 A G T <45S+ 0 0 8 -3,-2.3 -2,-0.2 2,-0.2 -1,-0.1 0.377 109.4 113.8 102.2 -1.3 31.1 67.2 11.3 134 345 A S T <5S+ 0 0 48 -4,-0.5 -95,-2.9 -79,-0.2 2,-0.3 0.767 76.2 37.2 -74.2 -24.8 27.4 67.5 11.1 135 346 A G E < -aC 39 130A 0 -5,-1.3 -5,-2.3 -97,-0.3 2,-0.4 -0.850 61.8-153.3-125.1 160.5 27.1 65.9 7.6 136 347 A F E -aC 40 129A 24 -97,-2.3 -95,-1.8 -2,-0.3 2,-0.5 -0.936 11.6-156.6-133.1 113.9 28.8 63.1 5.7 137 348 A V E -aC 41 128A 16 -9,-2.7 -9,-1.8 -2,-0.4 2,-0.2 -0.729 20.5-126.5 -92.5 132.9 28.9 63.3 1.9 138 349 A T E > - C 0 127A 27 -97,-1.9 4,-1.8 -2,-0.5 -11,-0.3 -0.486 3.6-139.6 -79.9 142.9 29.3 60.0 0.1 139 350 A R H > S+ 0 0 31 -13,-2.8 4,-2.6 2,-0.2 5,-0.2 0.860 105.3 58.7 -60.9 -39.8 32.1 59.4 -2.4 140 351 A E H > S+ 0 0 124 -14,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.953 104.2 49.0 -59.7 -48.6 29.4 57.5 -4.5 141 352 A F H >> S+ 0 0 16 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.929 113.8 46.6 -50.2 -44.9 27.1 60.5 -4.7 142 353 A L H >< S+ 0 0 14 -4,-1.8 3,-0.5 1,-0.3 -2,-0.2 0.878 108.5 54.0 -74.1 -29.9 30.1 62.7 -5.8 143 354 A R H 3< S+ 0 0 107 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.611 105.0 61.3 -69.0 -10.4 31.3 60.1 -8.4 144 355 A S H << S+ 0 0 80 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.707 79.1 98.4 -93.2 -25.6 27.7 60.3 -9.7 145 356 A L S << S- 0 0 7 -4,-0.9 5,-0.1 -3,-0.5 2,-0.1 -0.113 88.4 -89.3 -57.8 163.0 27.7 64.0 -10.6 146 357 A R >> - 0 0 83 3,-0.1 3,-1.6 4,-0.1 4,-1.1 -0.434 57.3 -76.7 -76.8 148.9 28.3 64.7 -14.3 147 358 A K T 34 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.2 -80,-0.0 -0.450 115.7 40.2 -56.3 149.9 31.8 65.2 -15.6 148 359 A P T 3> S+ 0 0 33 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 -0.953 120.3 50.2 -77.6 -1.5 33.5 67.8 -15.3 149 360 A F H <> S+ 0 0 2 -3,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.877 111.7 44.3 -74.6 -33.7 32.3 68.1 -11.7 150 361 A S H X S+ 0 0 12 -4,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.780 109.4 58.1 -85.9 -26.5 32.9 64.6 -10.5 151 362 A D H 4 S+ 0 0 66 -5,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 103.4 51.7 -67.1 -37.2 36.3 64.6 -12.1 152 363 A I H < S+ 0 0 12 -4,-1.2 4,-0.2 1,-0.1 -1,-0.2 0.700 113.6 46.3 -72.0 -17.6 37.5 67.7 -10.1 153 364 A I H >X S+ 0 0 25 -4,-0.7 3,-1.4 -11,-0.1 4,-0.8 0.888 99.3 63.5 -89.9 -43.6 36.4 66.0 -6.9 154 365 A E H >X S+ 0 0 34 -4,-1.9 4,-2.4 1,-0.2 3,-0.8 0.828 90.7 64.5 -58.4 -35.5 37.8 62.5 -7.1 155 366 A P H 3> S+ 0 0 25 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.844 99.1 58.1 -60.7 -25.4 41.5 63.4 -7.2 156 367 A K H <> S+ 0 0 23 -3,-1.4 4,-2.4 -4,-0.2 -2,-0.2 0.785 104.9 47.5 -74.8 -33.4 41.1 64.8 -3.6 157 368 A F H < S+ 0 0 6 -4,-2.3 3,-1.5 1,-0.2 5,-0.4 0.904 106.4 52.6 -65.2 -40.8 47.9 61.0 3.1 164 375 A N H >< S+ 0 0 25 -4,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.690 92.2 72.8 -70.1 -24.1 45.9 59.5 6.0 165 376 A A T 3< S+ 0 0 73 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.645 90.7 62.7 -61.4 -23.9 48.0 56.3 5.7 166 377 A L T < S- 0 0 36 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.564 99.5-140.7 -80.1 -12.7 50.7 58.6 7.2 167 378 A E < + 0 0 145 -3,-1.3 -3,-0.1 -4,-0.2 -2,-0.1 0.854 30.7 175.4 59.3 40.2 48.8 59.1 10.4 168 379 A L - 0 0 5 -5,-0.4 2,-0.2 4,-0.1 -1,-0.1 -0.412 15.6-148.5 -67.1 155.8 49.5 62.8 11.1 169 380 A D > - 0 0 59 -2,-0.1 4,-2.5 -146,-0.0 3,-0.3 -0.648 34.7 -89.7-119.6 177.0 47.8 64.4 14.0 170 381 A D H > S+ 0 0 9 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.852 124.9 56.3 -57.0 -36.9 46.7 68.0 14.4 171 382 A S H > S+ 0 0 14 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.887 111.9 43.3 -64.2 -41.9 50.0 69.0 16.0 172 383 A D H > S+ 0 0 0 -3,-0.3 4,-1.9 1,-0.2 3,-0.3 0.884 111.9 53.2 -65.0 -45.5 51.9 67.7 12.9 173 384 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.803 100.1 62.4 -65.6 -31.7 49.4 69.3 10.5 174 385 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.907 110.4 38.7 -61.7 -37.6 49.7 72.7 12.0 175 386 A L H X S+ 0 0 1 -4,-0.9 4,-2.2 -3,-0.3 -2,-0.2 0.852 114.2 54.6 -80.2 -27.1 53.4 72.8 11.1 176 387 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.975 110.8 46.1 -71.1 -42.5 52.8 71.2 7.7 177 388 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.887 109.9 53.7 -69.1 -47.2 50.2 73.8 6.8 178 389 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.3 0.924 110.4 48.6 -47.5 -46.8 52.5 76.6 8.0 179 390 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.883 107.6 52.9 -65.7 -37.4 55.2 75.3 5.8 180 391 A I H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.0 43.3 -65.1 -44.1 52.9 75.0 2.8 181 392 A I H < S+ 0 0 0 -4,-2.3 2,-1.9 1,-0.2 -2,-0.2 0.890 102.9 64.3 -73.2 -37.3 51.9 78.8 3.3 182 393 A L S < S+ 0 0 0 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 -0.465 74.2 151.7 -81.6 70.8 55.4 80.2 4.0 183 394 A C > - 0 0 10 -2,-1.9 3,-1.1 -3,-0.2 13,-0.1 -0.921 39.1-155.9-116.4 123.1 56.7 79.4 0.5 184 395 A G T 3 S+ 0 0 7 -2,-0.5 -1,-0.1 1,-0.2 12,-0.1 0.606 86.2 61.4 -76.9 -10.6 59.5 81.5 -1.1 185 396 A D T 3 + 0 0 91 10,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.407 63.8 122.7-105.0 15.2 58.6 80.7 -4.6 186 397 A R S X S- 0 0 15 -3,-1.1 3,-1.0 1,-0.1 2,-0.1 -0.423 73.4 -95.7 -61.7 148.0 55.1 81.9 -5.1 187 398 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -78,-0.1 -0.400 101.5 18.5 -67.1 144.5 55.0 84.3 -8.0 188 399 A G T 3 S+ 0 0 70 1,-0.3 2,-0.1 -2,-0.1 -83,-0.1 0.457 80.4 150.6 84.2 -0.3 55.3 88.0 -7.5 189 400 A L < - 0 0 20 -3,-1.0 3,-0.3 1,-0.1 -1,-0.3 -0.483 32.4-159.2 -64.5 142.2 56.7 87.8 -3.9 190 401 A M S S+ 0 0 114 1,-0.2 2,-0.7 -2,-0.1 -1,-0.1 0.889 81.4 38.9 -84.5 -47.6 59.0 90.8 -3.0 191 402 A N > + 0 0 79 1,-0.2 4,-1.5 -92,-0.1 -1,-0.2 -0.680 63.2 161.0-112.2 71.7 61.1 89.5 -0.1 192 403 A V H > S+ 0 0 48 -2,-0.7 4,-3.0 -3,-0.3 5,-0.3 0.931 71.7 57.2 -49.3 -52.0 61.8 85.9 -1.1 193 404 A P H > S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.882 107.5 47.5 -57.1 -37.2 64.8 85.6 1.3 194 405 A R H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.875 113.8 45.1 -73.5 -40.4 62.7 86.5 4.4 195 406 A V H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.891 112.6 53.3 -63.1 -41.6 59.9 84.1 3.5 196 407 A E H X S+ 0 0 98 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.879 109.6 50.5 -61.9 -30.8 62.5 81.5 2.7 197 408 A A H X S+ 0 0 45 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.917 109.8 45.7 -77.8 -47.3 63.9 82.1 6.1 198 409 A I H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.914 111.3 56.4 -60.8 -38.2 60.6 81.8 8.1 199 410 A Q H X S+ 0 0 38 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.892 104.1 52.0 -61.9 -37.5 60.0 78.7 6.1 200 411 A D H X S+ 0 0 78 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.916 107.5 50.7 -69.7 -38.8 63.2 77.1 7.2 201 412 A T H X S+ 0 0 60 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.917 110.6 51.2 -57.5 -43.0 62.5 77.7 10.8 202 413 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.936 111.3 46.4 -61.5 -44.3 59.1 76.1 10.2 203 414 A L H X S+ 0 0 31 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.818 111.5 51.1 -69.6 -35.9 60.6 73.0 8.6 204 415 A R H X S+ 0 0 143 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.851 110.2 50.9 -66.3 -36.9 63.3 72.6 11.3 205 416 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.902 113.5 44.4 -65.5 -42.2 60.4 72.8 13.8 206 417 A L H X S+ 0 0 0 -4,-2.0 4,-3.5 2,-0.2 5,-0.3 0.929 110.5 53.0 -67.8 -47.6 58.5 70.1 11.9 207 418 A E H X S+ 0 0 105 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.934 114.6 43.6 -54.3 -42.5 61.5 67.9 11.5 208 419 A F H X S+ 0 0 43 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.939 114.0 50.1 -63.2 -51.4 62.1 68.1 15.2 209 420 A H H X S+ 0 0 35 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.873 108.9 50.4 -59.1 -42.8 58.5 67.6 16.0 210 421 A L H X S+ 0 0 5 -4,-3.5 4,-2.1 2,-0.2 -1,-0.2 0.843 107.5 54.1 -68.6 -32.7 58.1 64.6 13.9 211 422 A Q H < S+ 0 0 118 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.859 118.5 36.4 -70.6 -31.3 61.2 62.9 15.5 212 423 A A H < S+ 0 0 57 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.941 123.9 39.3 -77.1 -54.3 59.7 63.4 18.9 213 424 A N H < S+ 0 0 61 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.790 128.1 30.7 -74.4 -30.9 56.0 62.8 18.1 214 425 A H >< + 0 0 34 -4,-2.1 3,-1.0 -5,-0.3 -1,-0.3 -0.550 69.7 167.6-123.6 68.6 56.5 59.9 15.6 215 426 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.834 74.0 47.6 -63.0 -24.0 59.7 58.1 16.8 216 427 A D T 3 S+ 0 0 148 1,-0.1 2,-1.3 2,-0.1 3,-0.1 0.737 87.7 85.8 -92.3 -14.9 59.3 55.0 14.7 217 428 A A X + 0 0 46 -3,-1.0 3,-1.0 -7,-0.2 4,-0.3 -0.670 56.3 177.6 -81.7 89.9 58.6 56.6 11.3 218 429 A Q T 3 S+ 0 0 160 -2,-1.3 -1,-0.2 1,-0.3 3,-0.1 0.697 76.1 36.9 -74.9 -20.9 62.2 57.2 10.3 219 430 A Y T 3> S+ 0 0 159 1,-0.1 4,-1.3 -3,-0.1 -1,-0.3 0.224 79.5 110.2-113.9 11.8 61.4 58.6 7.0 220 431 A L H <> S+ 0 0 7 -3,-1.0 4,-2.1 2,-0.2 5,-0.2 0.870 72.4 61.2 -59.6 -36.6 58.3 60.7 7.6 221 432 A F H >> S+ 0 0 35 -4,-0.3 4,-2.2 1,-0.3 3,-0.8 0.966 110.2 35.5 -63.9 -56.7 60.0 64.1 7.2 222 433 A P H 3> S+ 0 0 75 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.712 115.1 61.9 -64.7 -20.2 61.1 63.7 3.5 223 434 A K H 3X S+ 0 0 107 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.826 106.7 43.2 -66.2 -37.5 57.8 61.8 3.0 224 435 A L H - 0 0 75 -2,-0.4 4,-1.5 1,-0.1 3,-0.2 -0.250 34.4-118.3 -56.2 141.2 32.6 83.4 -5.7 256 467 A P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.877 113.3 51.2 -55.9 -42.0 34.3 86.8 -5.9 257 468 A L H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 111.2 48.1 -59.3 -42.4 37.1 85.9 -3.5 258 469 A L H > S+ 0 0 4 1,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.804 107.6 58.6 -65.4 -26.2 37.9 82.8 -5.5 259 470 A Q H X S+ 0 0 100 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.922 108.0 43.0 -72.6 -44.3 37.8 85.1 -8.5 260 471 A E H >< S+ 0 0 103 -4,-2.3 3,-0.7 2,-0.2 -2,-0.2 0.947 111.9 54.2 -60.3 -47.4 40.6 87.2 -7.1 261 472 A I H 3< S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.939 115.7 40.1 -57.5 -41.5 42.5 84.2 -6.0 262 473 A Y H 3< S+ 0 0 60 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.656 85.8 136.2 -81.7 -13.3 42.3 82.9 -9.5 263 474 A K << 0 0 107 -4,-1.3 -3,-0.1 -3,-0.7 -4,-0.0 -0.055 360.0 360.0 -43.8 135.6 42.9 86.4 -11.1 264 475 A D 0 0 179 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.349 360.0 360.0 111.0 360.0 45.3 86.1 -13.9