==== 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 09-JAN-09 2ZXZ . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR RXR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.SATO,P.ANTONY,N.ROCHEL,D.MORAS,STRUCTURAL GENOMICS . 224 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 4 1 0 1 1 0 1 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 229 A D 0 0 132 0, 0.0 150,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.1 43.2 67.2 12.6 2 230 A M - 0 0 5 149,-0.2 2,-0.1 42,-0.0 153,-0.1 -0.642 360.0-168.2-131.2 74.7 45.0 65.4 15.5 3 231 A P > - 0 0 44 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.423 24.3-147.5 -75.3 137.5 42.1 64.8 17.9 4 232 A V H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.743 99.9 63.9 -70.2 -24.6 42.9 63.7 21.5 5 233 A E H > S+ 0 0 132 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.819 104.4 45.9 -65.3 -33.9 39.6 61.7 21.4 6 234 A R H > S+ 0 0 122 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.848 110.9 51.2 -78.9 -38.1 41.1 59.5 18.7 7 235 A I H X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -2,-0.2 0.866 108.2 54.1 -63.6 -38.4 44.5 59.1 20.5 8 236 A L H X S+ 0 0 47 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.864 105.3 53.1 -62.8 -38.9 42.5 58.1 23.6 9 237 A E H X S+ 0 0 127 -4,-1.1 4,-1.8 1,-0.2 -1,-0.2 0.810 103.7 56.7 -68.4 -31.5 40.7 55.4 21.6 10 238 A A H < S+ 0 0 1 -4,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.890 109.9 45.5 -62.9 -42.1 44.1 54.0 20.4 11 239 A E H >X S+ 0 0 12 -4,-1.5 3,-0.8 1,-0.2 4,-0.7 0.890 113.9 47.8 -66.7 -43.2 45.1 53.5 24.1 12 240 A L H 3< S+ 0 0 82 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.779 105.4 58.5 -72.4 -29.0 41.7 52.0 25.1 13 241 A A T 3< S+ 0 0 53 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.629 107.0 51.0 -71.1 -13.5 41.8 49.5 22.1 14 242 A V T <4 S+ 0 0 24 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.646 79.7 114.5-102.1 -20.3 45.1 48.2 23.5 15 243 A E < 0 0 101 -4,-0.7 -3,-0.0 -3,-0.3 68,-0.0 -0.271 360.0 360.0 -57.8 132.2 44.1 47.5 27.1 16 244 A P 0 0 120 0, 0.0 -1,-0.1 0, 0.0 67,-0.0 0.795 360.0 360.0 -89.6 360.0 44.2 43.8 28.1 17 ! 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 18 262 A N 0 0 202 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -33.8 61.1 31.5 38.6 19 263 A D > - 0 0 56 1,-0.1 4,-1.5 2,-0.0 3,-0.5 -0.884 360.0-156.2 -96.3 114.9 63.2 34.3 37.0 20 264 A P H > S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.812 93.4 57.4 -58.5 -35.0 61.4 37.7 37.1 21 265 A V H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.842 103.5 53.2 -66.3 -35.9 63.5 39.0 34.2 22 266 A T H > S+ 0 0 33 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.900 110.3 47.8 -63.4 -42.4 62.2 36.1 32.0 23 267 A N H X S+ 0 0 45 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.815 111.7 49.9 -66.5 -33.4 58.6 37.0 32.9 24 268 A I H X S+ 0 0 44 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.856 111.7 47.4 -75.1 -36.2 59.3 40.7 32.1 25 269 A C H X S+ 0 0 4 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.797 108.7 55.4 -73.2 -32.0 60.8 39.9 28.7 26 270 A Q H X S+ 0 0 97 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.917 109.8 46.5 -62.0 -46.1 57.9 37.5 28.0 27 271 A A H X S+ 0 0 6 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.796 108.8 57.4 -65.3 -31.4 55.5 40.5 28.6 28 272 A A H X S+ 0 0 21 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.920 106.5 46.4 -66.5 -46.9 57.8 42.7 26.4 29 273 A D H X S+ 0 0 13 -4,-1.9 4,-1.0 1,-0.2 3,-0.4 0.894 110.5 53.5 -63.2 -43.4 57.4 40.5 23.4 30 274 A K H X S+ 0 0 107 -4,-1.7 4,-1.1 1,-0.2 3,-0.4 0.889 110.0 48.3 -56.8 -42.8 53.7 40.2 23.8 31 275 A Q H X S+ 0 0 20 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.694 97.0 69.8 -76.7 -21.6 53.4 44.0 23.9 32 276 A L H X S+ 0 0 2 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.2 0.867 101.3 47.1 -63.2 -38.1 55.5 44.5 20.8 33 277 A F H X S+ 0 0 74 -4,-1.0 4,-1.4 -3,-0.4 -1,-0.2 0.910 113.4 48.3 -65.7 -44.0 52.7 43.0 18.7 34 278 A T H X S+ 0 0 37 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.841 106.7 57.9 -65.2 -36.0 50.2 45.2 20.5 35 279 A L H X S+ 0 0 6 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.894 102.5 52.8 -61.4 -43.7 52.4 48.3 20.0 36 280 A V H X S+ 0 0 3 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.887 111.8 46.5 -60.5 -39.8 52.4 47.9 16.2 37 281 A E H X S+ 0 0 98 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.835 111.5 52.9 -69.1 -34.4 48.5 47.8 16.4 38 282 A W H >X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 3,-0.5 0.930 105.2 53.2 -64.0 -48.4 48.6 50.8 18.6 39 283 A A H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 6,-0.2 0.853 104.0 56.9 -58.2 -38.6 50.8 52.9 16.3 40 284 A K H 3< S+ 0 0 39 -4,-1.3 6,-0.5 1,-0.3 -1,-0.2 0.855 102.1 55.0 -61.9 -38.8 48.4 52.3 13.4 41 285 A R H << S+ 0 0 132 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.585 85.4 98.5 -73.6 -12.8 45.4 53.8 15.3 42 286 A I S XX S- 0 0 1 -3,-1.0 3,-2.0 -4,-0.6 4,-0.5 -0.708 92.6-100.8 -76.5 120.1 47.4 57.0 15.8 43 287 A P T 34 S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.086 98.2 2.7 -45.7 132.5 46.2 59.5 13.2 44 288 A H T 34 S+ 0 0 42 -4,-0.1 4,-0.3 1,-0.1 -4,-0.1 0.320 99.7 103.9 75.1 -3.6 48.5 59.9 10.1 45 289 A F T X4 S+ 0 0 0 -3,-2.0 3,-1.0 -6,-0.2 -5,-0.1 0.901 82.1 47.9 -73.4 -42.3 51.0 57.2 11.2 46 290 A S T 3< S+ 0 0 60 -4,-0.5 -1,-0.2 -6,-0.5 -6,-0.1 0.720 105.4 61.4 -69.0 -21.9 49.7 54.6 8.8 47 291 A E T 3 S+ 0 0 143 -7,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.587 85.6 95.1 -80.7 -13.7 49.8 57.3 6.1 48 292 A L S < S- 0 0 4 -3,-1.0 5,-0.1 -4,-0.3 -4,-0.0 -0.481 96.6 -83.0 -72.7 149.2 53.6 57.7 6.5 49 293 A P >> - 0 0 56 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.217 40.7-115.3 -51.6 144.9 55.8 55.6 4.1 50 294 A L H 3> S+ 0 0 81 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.822 115.0 52.7 -55.7 -37.9 56.2 52.0 5.3 51 295 A D H 3> S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.859 107.8 51.0 -66.0 -37.0 60.0 52.4 5.8 52 296 A D H <> S+ 0 0 3 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.831 105.2 55.8 -71.1 -33.9 59.5 55.5 8.1 53 297 A Q H X S+ 0 0 11 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.846 108.9 49.3 -62.9 -36.7 56.9 53.6 10.2 54 298 A V H X S+ 0 0 4 -4,-1.3 4,-2.7 -5,-0.2 5,-0.3 0.969 110.8 48.1 -64.7 -55.0 59.7 51.0 10.7 55 299 A I H X S+ 0 0 40 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.860 113.0 49.6 -54.3 -40.6 62.3 53.7 11.7 56 300 A L H X S+ 0 0 1 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.922 114.6 41.4 -66.7 -47.5 59.8 55.3 14.1 57 301 A L H X S+ 0 0 1 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.838 114.3 52.2 -72.4 -33.9 58.8 52.1 15.9 58 302 A R H < S+ 0 0 40 -4,-2.7 4,-0.2 1,-0.2 -1,-0.2 0.825 111.6 47.5 -69.8 -31.6 62.3 50.8 16.1 59 303 A A H < S+ 0 0 54 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.768 124.8 26.9 -80.3 -27.9 63.6 54.0 17.6 60 304 A G H X S+ 0 0 4 -4,-1.3 4,-3.0 -5,-0.1 5,-0.3 0.412 80.9 109.2-118.6 2.7 60.9 54.4 20.3 61 305 A W H X S+ 0 0 9 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.840 83.7 49.5 -53.2 -40.9 59.6 50.9 21.2 62 306 A N H > S+ 0 0 16 -4,-0.2 4,-3.3 2,-0.2 5,-0.2 0.977 115.0 41.5 -59.2 -59.3 61.3 51.0 24.6 63 307 A E H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.857 115.7 52.2 -57.3 -39.1 60.0 54.4 25.6 64 308 A L H X S+ 0 0 0 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.910 115.5 39.5 -64.7 -44.3 56.6 53.5 24.2 65 309 A L H X S+ 0 0 17 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.881 114.2 53.3 -73.5 -40.1 56.3 50.3 26.1 66 310 A I H X S+ 0 0 4 -4,-3.3 4,-1.7 1,-0.2 5,-0.2 0.923 107.5 51.1 -61.5 -46.2 57.8 51.7 29.3 67 311 A A H X S+ 0 0 5 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.879 110.0 53.3 -55.2 -39.5 55.3 54.5 29.4 68 312 A S H X S+ 0 0 15 -4,-1.2 4,-1.2 1,-0.2 -2,-0.2 0.917 112.0 39.3 -66.5 -48.4 52.5 51.9 28.9 69 313 A F H X S+ 0 0 39 -4,-2.1 4,-0.6 2,-0.2 12,-0.5 0.691 113.1 57.7 -79.2 -17.3 53.4 49.6 31.8 70 314 A S H >< S+ 0 0 0 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.925 109.1 43.1 -74.2 -47.5 54.3 52.5 34.1 71 315 A H H >< S+ 0 0 21 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.781 110.9 57.6 -66.9 -28.7 50.9 54.2 33.8 72 316 A R H 3< S+ 0 0 62 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.776 101.9 57.5 -68.2 -26.4 49.3 50.7 34.2 73 317 A S T X< + 0 0 0 -4,-0.6 3,-1.8 -3,-0.5 6,-0.3 0.234 69.7 113.3 -95.6 12.9 51.1 50.4 37.5 74 318 A I T < S+ 0 0 41 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.915 80.3 42.9 -47.8 -56.7 49.6 53.5 39.2 75 319 A A T 3 S+ 0 0 105 -3,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.220 94.5 107.6 -81.9 16.8 47.6 51.6 41.9 76 320 A V S < S- 0 0 28 -3,-1.8 2,-0.8 3,-0.2 3,-0.5 -0.823 70.6-128.5-101.0 132.6 50.4 49.2 42.5 77 321 A K S S- 0 0 169 -2,-0.4 13,-0.2 1,-0.2 3,-0.1 -0.715 81.4 -30.7 -82.0 111.0 52.4 49.4 45.8 78 322 A D S S+ 0 0 82 -2,-0.8 12,-2.9 1,-0.2 2,-0.3 0.863 123.9 70.6 50.4 48.7 56.2 49.5 45.0 79 323 A G E S-A 89 0A 0 -3,-0.5 2,-0.4 10,-0.3 10,-0.2 -0.977 73.8-104.7-171.2 177.7 55.9 47.4 41.8 80 324 A I E -A 88 0A 4 8,-2.6 8,-3.0 -2,-0.3 2,-0.7 -0.949 20.7-132.3-123.1 144.3 54.7 47.1 38.2 81 325 A L E -A 87 0A 43 -12,-0.5 6,-0.2 -2,-0.4 2,-0.1 -0.861 26.3-144.6 -93.4 115.4 51.8 45.3 36.6 82 326 A L > - 0 0 7 4,-3.0 3,-1.9 -2,-0.7 -58,-0.1 -0.472 19.0-120.1 -77.8 152.2 52.9 43.2 33.6 83 327 A A T 3 S+ 0 0 10 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.763 112.1 67.8 -63.1 -28.6 50.6 42.8 30.5 84 328 A T T 3 S- 0 0 53 -61,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.621 122.4-107.0 -63.5 -14.7 50.6 39.1 31.1 85 329 A G S < S+ 0 0 49 -3,-1.9 2,-0.2 1,-0.4 -2,-0.1 0.098 81.5 124.7 108.0 -19.8 48.6 39.8 34.2 86 330 A L - 0 0 81 -63,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.478 54.2-136.9 -74.1 138.8 51.5 39.1 36.7 87 331 A H E -A 81 0A 116 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.756 12.7-157.8 -90.1 143.5 52.6 41.7 39.2 88 332 A V E -A 80 0A 6 -8,-3.0 -8,-2.6 -2,-0.3 2,-0.1 -0.966 10.7-150.1-126.5 116.7 56.3 42.3 39.8 89 333 A H E >> -A 79 0A 73 -2,-0.5 4,-1.8 -10,-0.2 3,-0.6 -0.448 26.4-109.8 -86.6 154.7 57.4 43.8 43.1 90 334 A R H 3> S+ 0 0 92 -12,-2.9 4,-2.0 1,-0.2 5,-0.1 0.848 119.0 48.2 -42.5 -49.2 60.5 46.0 43.9 91 335 A N H 3> S+ 0 0 91 -13,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.818 105.9 57.5 -67.3 -34.6 62.1 43.2 45.9 92 336 A S H <> S+ 0 0 45 -3,-0.6 4,-0.7 2,-0.2 -1,-0.2 0.893 111.2 42.3 -63.6 -42.0 61.5 40.6 43.2 93 337 A A H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 6,-0.3 0.887 112.7 52.6 -71.7 -42.5 63.4 42.7 40.7 94 338 A H H ><5S+ 0 0 120 -4,-2.0 3,-1.2 4,-0.3 5,-0.4 0.897 109.1 50.2 -58.7 -43.0 66.2 43.6 43.1 95 339 A S H 3<5S+ 0 0 93 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.708 105.5 57.2 -69.6 -22.8 66.7 39.9 43.9 96 340 A A T 3<5S- 0 0 33 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.464 122.6-108.2 -84.3 -4.8 66.9 39.2 40.2 97 341 A G T < 5S+ 0 0 64 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.738 99.7 92.8 86.0 25.8 69.8 41.7 39.9 98 342 A V >< + 0 0 16 -5,-2.2 4,-1.7 2,-0.1 -4,-0.3 -0.003 41.6 119.3-135.1 27.3 68.0 44.5 38.1 99 343 A G H > + 0 0 4 -5,-0.4 4,-2.5 -6,-0.3 5,-0.2 0.802 65.8 63.9 -66.2 -33.9 66.8 46.6 41.1 100 344 A A H > S+ 0 0 85 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.921 111.7 34.5 -58.2 -49.5 68.7 49.8 40.2 101 345 A I H > S+ 0 0 17 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 114.3 58.6 -74.4 -36.5 66.7 50.3 36.9 102 346 A F H X S+ 0 0 14 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.915 106.6 48.3 -59.2 -44.7 63.5 49.0 38.4 103 347 A D H X S+ 0 0 49 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.794 107.2 56.9 -65.4 -30.9 63.6 51.6 41.1 104 348 A R H X S+ 0 0 68 -4,-0.9 4,-2.4 2,-0.2 5,-0.4 0.912 107.8 47.1 -66.4 -42.7 64.3 54.3 38.4 105 349 A V H X>S+ 0 0 7 -4,-2.1 4,-1.7 2,-0.2 5,-1.4 0.944 116.0 46.2 -59.0 -49.7 61.1 53.2 36.6 106 350 A L H <>S+ 0 0 19 -4,-2.3 5,-2.8 3,-0.2 6,-0.3 0.940 120.1 36.3 -59.6 -53.7 59.2 53.3 40.0 107 351 A T H <5S+ 0 0 89 -4,-3.1 5,-0.4 1,-0.2 -2,-0.2 0.915 124.4 36.6 -70.1 -47.2 60.5 56.7 41.2 108 352 A E H <5S+ 0 0 43 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.2 0.705 133.3 11.2 -85.4 -23.8 60.8 58.7 38.0 109 353 A L T X5S+ 0 0 2 -4,-1.7 4,-3.2 -5,-0.4 5,-0.3 0.685 124.4 40.4-117.5 -79.4 57.7 57.4 36.1 110 354 A V H > S+ 0 0 91 -5,-0.4 4,-0.9 -6,-0.3 -1,-0.2 0.823 111.3 52.1 -65.8 -33.4 55.4 60.7 39.2 113 357 A M H X>S+ 0 0 6 -4,-3.2 5,-2.0 2,-0.2 4,-0.6 0.931 110.0 49.2 -64.1 -47.5 52.4 59.6 37.1 114 358 A R H ><5S+ 0 0 90 -4,-2.4 3,-1.1 -5,-0.3 -2,-0.2 0.910 104.1 56.8 -60.7 -48.3 50.3 58.8 40.2 115 359 A D H 3<5S+ 0 0 116 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 117.4 34.6 -59.3 -33.1 50.9 62.0 42.1 116 360 A M H 3<5S- 0 0 14 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.431 107.3-128.2 -97.7 -1.8 49.5 64.1 39.2 117 361 A Q T <<5 - 0 0 152 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.942 26.8-151.3 51.7 55.9 47.0 61.4 38.3 118 362 A M < - 0 0 5 -5,-2.0 -1,-0.2 -6,-0.1 2,-0.1 -0.340 11.2-138.3 -55.5 128.0 48.0 61.4 34.6 119 363 A D > - 0 0 23 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.362 21.7-104.2 -87.1 173.0 45.0 60.3 32.5 120 364 A K H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -109,-0.1 0.728 119.5 57.0 -69.0 -24.1 44.9 57.9 29.6 121 365 A T H > S+ 0 0 10 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 109.8 44.1 -73.2 -39.9 44.6 60.8 27.1 122 366 A E H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.873 113.4 50.6 -71.1 -42.2 47.8 62.4 28.4 123 367 A L H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 111.6 49.5 -58.4 -47.3 49.6 59.1 28.5 124 368 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.890 111.6 48.0 -58.1 -44.7 48.5 58.6 24.9 125 369 A C H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.889 110.4 50.1 -66.9 -42.5 49.7 62.0 23.8 126 370 A L H X S+ 0 0 11 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.905 112.9 48.5 -60.9 -41.2 53.1 61.6 25.5 127 371 A R H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.905 110.7 50.1 -63.8 -43.1 53.4 58.2 23.7 128 372 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.849 108.8 52.4 -63.8 -37.3 52.3 59.8 20.4 129 373 A I H < S+ 0 0 4 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.925 111.3 46.9 -62.1 -45.4 55.0 62.5 20.9 130 374 A V H < S+ 0 0 7 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.907 110.5 53.8 -62.5 -43.4 57.6 59.8 21.4 131 375 A L H < S+ 0 0 1 -4,-2.7 2,-1.7 1,-0.3 -2,-0.2 0.921 103.5 56.6 -55.5 -50.1 56.3 57.9 18.4 132 376 A F S < S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.1 17,-0.1 -0.465 73.4 158.7 -87.0 66.1 56.7 61.0 16.1 133 377 A N > - 0 0 15 -2,-1.7 3,-1.2 -3,-0.4 13,-0.1 -0.813 25.3-170.8 -92.0 108.9 60.4 61.5 16.8 134 378 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 12,-0.1 0.665 82.4 70.7 -74.2 -13.6 62.0 63.6 13.9 135 379 A D T 3 + 0 0 116 2,-0.1 2,-0.2 -3,-0.1 -2,-0.0 0.551 69.1 119.6 -77.9 -9.8 65.4 62.9 15.4 136 380 A S X - 0 0 8 -3,-1.2 3,-1.0 1,-0.1 2,-0.1 -0.415 69.9-121.1 -57.8 123.1 65.1 59.3 14.3 137 381 A K T 3 S+ 0 0 185 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.395 90.0 28.9 -71.3 144.2 68.0 58.6 11.9 138 382 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.1 0.097 76.5 154.4 97.2 -22.0 67.1 57.5 8.3 139 383 A L < - 0 0 18 -3,-1.0 -1,-0.3 1,-0.1 -87,-0.0 -0.111 38.0-148.8 -44.5 127.2 63.8 59.2 8.1 140 384 A S S S+ 0 0 84 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.952 92.5 14.7 -66.0 -53.1 62.9 60.0 4.5 141 385 A N S >> S+ 0 0 76 1,-0.1 4,-1.0 2,-0.0 3,-0.7 -0.800 70.7 171.3-124.2 86.1 60.9 63.2 5.3 142 386 A P H 3> S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.796 76.1 62.2 -66.5 -31.0 61.7 64.2 8.9 143 387 A A H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.779 100.7 54.9 -64.1 -29.5 59.9 67.5 8.6 144 388 A E H <> S+ 0 0 71 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.859 110.0 45.0 -69.3 -39.0 56.7 65.6 8.1 145 389 A V H X S+ 0 0 0 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.849 111.7 53.5 -73.4 -35.5 57.2 63.6 11.3 146 390 A E H X S+ 0 0 98 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.878 107.3 51.6 -63.5 -40.6 58.2 66.9 13.1 147 391 A A H X S+ 0 0 29 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.832 107.9 51.4 -66.1 -36.0 54.9 68.5 11.9 148 392 A L H X S+ 0 0 14 -4,-1.3 4,-1.0 2,-0.2 -1,-0.2 0.817 109.3 50.7 -71.2 -33.1 52.9 65.5 13.2 149 393 A R H >X S+ 0 0 50 -4,-1.6 4,-2.1 2,-0.2 3,-0.8 0.934 106.5 55.0 -64.7 -48.4 54.6 65.8 16.6 150 394 A E H 3X S+ 0 0 94 -4,-2.2 4,-1.5 1,-0.3 -2,-0.2 0.821 107.4 51.1 -53.1 -35.4 53.7 69.6 16.7 151 395 A K H 3X S+ 0 0 84 -4,-1.2 4,-1.0 2,-0.2 -1,-0.3 0.765 107.4 52.7 -76.4 -27.7 50.1 68.6 16.2 152 396 A V H < + 0 0 36 -4,-2.6 3,-0.9 -5,-0.3 -1,-0.2 -0.614 68.6 153.9-128.6 72.5 42.7 70.9 34.1 165 409 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.566 71.2 63.2 -79.6 -6.5 42.6 74.8 33.9 166 410 A E T 3 S+ 0 0 128 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.612 94.4 64.6 -85.9 -16.8 43.5 75.1 37.6 167 411 A Q X + 0 0 66 -3,-0.9 3,-1.6 -7,-0.2 4,-0.3 -0.784 64.1 176.7-109.1 84.2 46.9 73.5 37.0 168 412 A P T 3 S+ 0 0 125 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.713 78.8 44.1 -67.5 -22.1 48.6 76.0 34.6 169 413 A G T 3> S+ 0 0 47 1,-0.2 4,-1.6 2,-0.1 5,-0.1 0.054 78.5 104.1-110.3 24.0 51.9 74.1 34.5 170 414 A R H <> S+ 0 0 6 -3,-1.6 4,-1.8 -6,-0.2 -1,-0.2 0.798 76.9 59.2 -72.8 -29.2 50.5 70.5 34.0 171 415 A F H > S+ 0 0 35 -4,-0.3 4,-1.7 -3,-0.3 -1,-0.2 0.933 109.8 40.5 -65.0 -48.4 51.5 70.6 30.3 172 416 A A H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.862 110.3 60.0 -67.1 -38.3 55.2 71.2 31.0 173 417 A K H < S+ 0 0 105 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.879 107.4 46.6 -56.0 -41.6 55.1 68.7 33.9 174 418 A L H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 4,-0.3 0.920 111.7 49.6 -65.5 -47.1 54.0 66.0 31.5 175 419 A L H >< S+ 0 0 51 -4,-1.7 3,-0.9 1,-0.3 -2,-0.2 0.745 102.4 63.2 -67.2 -24.4 56.6 66.9 28.9 176 420 A L T 3< S+ 0 0 111 -4,-1.8 4,-0.4 1,-0.2 -1,-0.3 0.465 90.0 65.7 -85.4 -0.6 59.4 66.8 31.6 177 421 A R T <> S+ 0 0 47 -3,-1.4 4,-2.3 -4,-0.2 -1,-0.2 0.588 86.6 77.2 -85.1 -13.1 58.8 63.1 32.2 178 422 A L H <> S+ 0 0 32 -3,-0.9 4,-2.6 -4,-0.3 -2,-0.2 0.864 88.9 50.4 -67.1 -41.9 60.1 62.5 28.7 179 423 A P H > S+ 0 0 80 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.911 112.4 49.5 -61.8 -39.6 63.8 63.0 29.4 180 424 A A H > S+ 0 0 12 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.936 111.3 48.9 -59.4 -47.2 63.4 60.5 32.3 181 425 A L H X S+ 0 0 8 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.883 112.2 49.1 -59.7 -41.8 61.6 58.1 29.9 182 426 A R H X S+ 0 0 93 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.956 113.2 46.1 -60.3 -52.9 64.4 58.6 27.4 183 427 A S H X S+ 0 0 53 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.874 115.9 45.4 -58.8 -42.9 67.1 58.0 30.0 184 428 A I H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.819 110.2 56.4 -71.9 -31.9 65.3 54.9 31.4 185 429 A G H X S+ 0 0 3 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.892 106.4 48.1 -66.0 -43.2 64.7 53.6 27.9 186 430 A L H X S+ 0 0 105 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.889 109.3 53.2 -64.0 -41.8 68.4 53.6 27.0 187 431 A K H X S+ 0 0 79 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.801 106.4 54.3 -66.2 -29.8 69.3 51.8 30.2 188 432 A C H X S+ 0 0 27 -4,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.922 104.6 53.2 -65.9 -47.8 66.7 49.1 29.3 189 433 A L H X S+ 0 0 41 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.924 106.9 52.9 -52.2 -49.4 68.3 48.5 25.9 190 434 A E H X S+ 0 0 117 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.926 111.4 45.7 -50.6 -52.5 71.6 48.0 27.6 191 435 A H H X S+ 0 0 50 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.925 113.2 49.5 -57.4 -48.4 70.1 45.3 29.9 192 436 A L H X S+ 0 0 19 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.848 109.4 51.7 -63.1 -37.4 68.3 43.6 27.1 193 437 A F H X S+ 0 0 96 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.837 111.5 48.9 -63.9 -35.0 71.5 43.5 25.0 194 438 A F H X S+ 0 0 113 -4,-1.7 4,-2.4 -5,-0.2 5,-0.3 0.866 106.6 52.9 -75.0 -39.0 73.2 41.9 28.0 195 439 A F H X S+ 0 0 27 -4,-2.5 4,-1.9 2,-0.2 6,-0.6 0.872 113.7 47.4 -61.6 -35.0 70.5 39.3 28.5 196 440 A K H < S+ 0 0 82 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.959 110.4 49.5 -67.6 -54.1 71.0 38.5 24.8 197 441 A L H < S+ 0 0 143 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.911 117.4 40.1 -52.7 -50.9 74.8 38.4 25.0 198 442 A I H < S- 0 0 87 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.925 92.0-151.4 -66.5 -48.2 74.9 36.0 28.0 199 443 A G < + 0 0 56 -4,-1.9 -3,-0.1 -5,-0.3 -4,-0.1 0.637 58.7 120.5 85.2 17.2 71.9 33.9 26.8 200 444 A D + 0 0 105 -5,-0.3 -4,-0.1 2,-0.1 -5,-0.1 0.319 64.5 67.4 -92.2 5.6 70.7 32.9 30.2 201 445 A T S S- 0 0 9 -6,-0.6 2,-0.1 -5,-0.1 -2,-0.1 -0.994 87.3-120.4-129.2 123.0 67.3 34.5 29.5 202 446 A P - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -177,-0.1 -0.433 30.1-166.7 -57.4 130.3 64.8 33.2 26.9 203 447 A I - 0 0 28 -2,-0.1 -177,-0.1 -4,-0.1 5,-0.1 -0.953 13.1-134.7-128.6 112.4 64.1 36.0 24.4 204 448 A D > - 0 0 81 -2,-0.5 4,-2.1 -179,-0.2 5,-0.2 -0.025 29.6 -98.1 -62.1 168.0 61.1 35.6 22.0 205 449 A T H > S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 14,-0.1 0.813 117.4 45.5 -63.9 -41.2 61.3 36.3 18.3 206 450 A F H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.918 114.0 48.9 -70.8 -44.2 59.9 39.9 18.1 207 451 A L H > S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.871 110.4 53.3 -60.2 -37.9 62.0 41.1 21.1 208 452 A M H < S+ 0 0 60 -4,-2.1 4,-0.3 1,-0.2 3,-0.3 0.820 105.2 54.1 -65.5 -34.2 65.1 39.5 19.4 209 453 A E H >< S+ 0 0 8 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.799 104.3 53.4 -73.1 -30.5 64.4 41.4 16.2 210 454 A M H 3< S+ 0 0 9 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.663 107.7 53.7 -75.4 -16.8 64.3 44.8 18.0 211 455 A L T 3< S+ 0 0 5 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.459 89.5 98.3 -96.0 -5.3 67.7 43.9 19.4 212 456 A E S < S- 0 0 86 -3,-0.5 -3,-0.0 -4,-0.3 5,-0.0 -0.471 82.5 -56.6 -74.5 155.0 69.2 43.2 15.9 213 457 A A 0 0 91 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.437 360.0 360.0 -76.3 152.5 71.2 45.9 14.3 214 458 A P 0 0 144 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 -0.974 360.0 360.0 -80.4 360.0 71.0 48.8 13.5 215 !* 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 0.0 216 471 B K 0 0 209 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.0 65.8 43.1 7.3 217 472 B H > + 0 0 25 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.630 360.0 176.3 -89.5 83.3 63.2 43.5 10.1 218 473 B K H > + 0 0 127 -2,-1.5 4,-2.0 1,-0.2 3,-0.2 0.933 68.6 39.9 -57.5 -67.1 61.0 40.6 9.1 219 474 B I H > S+ 0 0 38 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.861 115.4 52.8 -55.2 -42.8 58.3 40.3 11.8 220 475 B L H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 109.0 48.3 -63.1 -44.0 57.8 44.1 12.1 221 476 B H H < S+ 0 0 50 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.900 110.1 52.7 -62.2 -42.7 57.3 44.6 8.3 222 477 B R H < S+ 0 0 177 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.761 111.9 45.9 -65.1 -28.3 54.8 41.7 8.2 223 478 B L H < S+ 0 0 54 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.761 106.4 56.7 -86.6 -29.3 52.8 43.3 11.0 224 479 B L S < S+ 0 0 6 -4,-1.8 2,-0.3 -5,-0.2 -2,-0.2 0.495 84.1 114.0 -78.4 -3.5 52.8 46.8 9.5 225 480 B Q 0 0 147 -4,-0.4 -3,-0.0 1,-0.2 -4,-0.0 -0.550 360.0 360.0 -73.1 127.8 51.2 45.3 6.5 226 481 B D 0 0 179 -2,-0.3 -1,-0.2 -180,-0.1 -2,-0.1 -0.119 360.0 360.0 66.9 360.0 47.7 46.6 5.9