==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 02-MAR-10 3M0D . COMPND 2 MOLECULE: TNF RECEPTOR-ASSOCIATED FACTOR 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.KABALEESWARAN,H.WU . 264 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15045.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 82.6 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 . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 71.6 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+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 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 1 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 . 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 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 1 267 A E > 0 0 118 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -88.5 21.8 42.8 23.7 2 268 A L H > + 0 0 28 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.768 360.0 55.2 -67.9 -28.5 24.3 41.5 26.3 3 269 A L H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 112.4 40.8 -68.2 -51.2 21.7 41.2 29.0 4 270 A Q H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.804 112.5 57.0 -69.8 -28.0 19.4 38.9 27.0 5 271 A R H X S+ 0 0 59 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.949 111.2 42.9 -63.9 -49.6 22.5 37.0 25.7 6 272 A C H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.888 113.3 51.0 -64.9 -41.5 23.6 36.2 29.2 7 273 A E H X S+ 0 0 39 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.918 113.1 47.2 -60.9 -42.4 20.1 35.3 30.4 8 274 A S H X S+ 0 0 38 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.861 111.8 48.7 -63.7 -41.9 19.6 33.0 27.4 9 275 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.800 103.2 61.5 -73.9 -30.5 23.0 31.3 27.9 10 276 A E H X S+ 0 0 66 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.746 109.2 44.5 -66.2 -26.4 22.3 30.8 31.6 11 277 A K H X S+ 0 0 159 -4,-0.8 4,-3.0 -3,-0.4 3,-0.5 0.938 113.1 46.5 -78.6 -59.0 19.3 28.7 30.4 12 278 A K H X S+ 0 0 74 -4,-2.4 4,-2.1 1,-0.3 -2,-0.2 0.859 112.9 54.8 -51.0 -34.5 21.2 26.7 27.7 13 279 A T H X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 -1,-0.3 0.897 108.7 44.8 -65.7 -43.6 23.9 26.3 30.4 14 280 A A H X S+ 0 0 41 -4,-0.9 4,-1.9 -3,-0.5 -2,-0.2 0.918 110.5 56.0 -69.3 -44.5 21.4 24.8 32.9 15 281 A T H X S+ 0 0 75 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.900 107.5 49.2 -44.1 -50.5 19.9 22.6 30.1 16 282 A F H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.951 107.5 53.7 -61.7 -49.8 23.4 21.2 29.5 17 283 A E H X S+ 0 0 74 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.832 107.8 52.7 -49.3 -38.3 23.9 20.5 33.2 18 284 A N H X S+ 0 0 116 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.953 108.5 47.2 -67.2 -53.1 20.7 18.5 33.2 19 285 A I H X S+ 0 0 57 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.937 113.5 49.0 -47.8 -52.6 21.5 16.2 30.3 20 286 A V H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.881 105.8 58.6 -62.5 -37.9 25.0 15.5 31.7 21 287 A C H X S+ 0 0 84 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.951 111.8 39.2 -51.1 -55.1 23.4 14.8 35.1 22 288 A V H X S+ 0 0 83 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.870 111.7 56.6 -67.6 -43.5 21.2 12.0 33.6 23 289 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.950 107.7 49.4 -54.5 -50.2 23.9 10.6 31.3 24 290 A N H X S+ 0 0 65 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.889 108.0 53.4 -56.0 -43.9 26.2 10.1 34.2 25 291 A R H X S+ 0 0 128 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.934 110.4 47.8 -57.8 -45.2 23.6 8.3 36.2 26 292 A E H X S+ 0 0 61 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.895 106.0 55.8 -69.0 -39.6 23.0 5.9 33.3 27 293 A V H X S+ 0 0 10 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.940 109.3 50.1 -51.2 -46.4 26.7 5.2 32.8 28 294 A E H X S+ 0 0 94 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.882 110.2 47.7 -60.6 -42.1 26.7 4.2 36.5 29 295 A R H X S+ 0 0 135 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.890 114.3 47.2 -68.5 -37.1 23.7 1.9 36.1 30 296 A V H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.933 110.9 51.7 -66.7 -44.4 25.3 0.3 33.0 31 297 A A H X S+ 0 0 33 -4,-3.2 4,-1.6 -5,-0.2 -2,-0.2 0.883 113.0 46.7 -57.2 -39.3 28.6 -0.0 34.8 32 298 A M H X S+ 0 0 101 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.879 110.6 48.7 -73.4 -41.3 26.7 -1.8 37.7 33 299 A T H X S+ 0 0 48 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.673 110.6 53.5 -77.8 -14.6 24.6 -4.2 35.6 34 300 A A H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.850 106.8 51.1 -78.2 -39.4 27.9 -5.1 33.7 35 301 A E H X S+ 0 0 45 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.923 115.6 43.5 -57.1 -44.1 29.5 -5.9 37.1 36 302 A A H X S+ 0 0 32 -4,-2.1 4,-2.3 2,-0.2 3,-0.4 0.898 109.0 55.1 -71.0 -42.4 26.5 -8.1 37.9 37 303 A C H X S+ 0 0 16 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.940 112.3 45.6 -53.7 -45.9 26.3 -9.6 34.4 38 304 A S H X S+ 0 0 54 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.630 107.3 57.0 -75.6 -18.3 30.0 -10.7 35.0 39 305 A R H X S+ 0 0 159 -4,-1.0 4,-1.1 -3,-0.4 -1,-0.2 0.865 108.7 47.4 -73.0 -40.8 29.3 -11.9 38.5 40 306 A Q H X S+ 0 0 89 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.898 108.8 53.8 -66.4 -42.8 26.7 -14.3 37.1 41 307 A H H X S+ 0 0 39 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.902 104.9 54.9 -55.8 -41.6 29.0 -15.5 34.4 42 308 A R H X S+ 0 0 56 -4,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.850 109.7 48.3 -61.5 -31.0 31.5 -16.3 37.1 43 309 A L H < S+ 0 0 112 -4,-1.1 4,-0.4 -3,-0.3 -1,-0.2 0.758 116.0 40.6 -81.7 -28.4 28.9 -18.5 38.8 44 310 A D H X S+ 0 0 23 -4,-1.7 4,-3.1 -3,-0.2 5,-0.2 0.767 106.7 62.7 -90.5 -30.4 27.8 -20.4 35.7 45 311 A Q H X S+ 0 0 39 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.791 105.6 48.3 -61.7 -30.6 31.3 -20.8 34.3 46 312 A D H X S+ 0 0 60 -4,-0.7 4,-1.0 -5,-0.2 -1,-0.2 0.736 111.2 49.7 -81.4 -27.4 32.1 -22.8 37.5 47 313 A K H > S+ 0 0 79 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.871 111.2 49.4 -75.4 -44.6 28.9 -24.9 36.9 48 314 A I H X S+ 0 0 6 -4,-3.1 4,-3.5 2,-0.2 5,-0.3 0.918 109.1 51.3 -55.6 -49.2 29.8 -25.5 33.3 49 315 A E H X S+ 0 0 113 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.887 110.2 50.9 -59.6 -35.4 33.3 -26.6 34.3 50 316 A A H X S+ 0 0 43 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.890 112.9 45.1 -70.5 -41.2 31.7 -28.9 36.8 51 317 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.961 112.3 49.8 -62.3 -53.1 29.4 -30.4 34.0 52 318 A S H X S+ 0 0 53 -4,-3.5 4,-1.8 1,-0.3 -2,-0.2 0.824 111.7 51.7 -57.7 -30.3 32.2 -30.7 31.5 53 319 A S H X S+ 0 0 75 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.3 0.898 111.9 44.3 -72.6 -41.5 34.2 -32.4 34.2 54 320 A K H X S+ 0 0 92 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.775 112.1 53.4 -74.4 -26.8 31.4 -34.9 34.9 55 321 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.891 107.8 49.7 -76.5 -38.1 30.7 -35.5 31.2 56 322 A Q H X S+ 0 0 94 -4,-1.8 4,-2.4 -5,-0.2 5,-0.3 0.948 107.9 53.7 -61.4 -49.6 34.4 -36.4 30.5 57 323 A Q H X S+ 0 0 124 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.887 112.3 46.2 -51.0 -43.8 34.4 -38.9 33.5 58 324 A L H X S+ 0 0 11 -4,-1.4 4,-0.8 2,-0.2 3,-0.3 0.946 109.0 52.0 -64.4 -54.7 31.3 -40.6 31.9 59 325 A E H >X S+ 0 0 53 -4,-2.5 4,-1.0 1,-0.3 3,-1.0 0.889 110.3 49.9 -49.2 -44.7 32.6 -40.7 28.4 60 326 A R H 3< S+ 0 0 167 -4,-2.4 3,-0.4 1,-0.2 -1,-0.3 0.852 101.6 65.3 -61.2 -36.9 35.8 -42.4 29.6 61 327 A S H 3< S+ 0 0 70 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.717 120.1 17.6 -59.4 -23.8 33.7 -44.8 31.5 62 328 A I H << 0 0 78 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.376 360.0 360.0-130.3 1.8 32.3 -46.3 28.3 63 329 A G < 0 0 94 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 -0.722 360.0 360.0 82.6 360.0 34.6 -45.3 25.5 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 65 267 B E > 0 0 187 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-117.8 24.9 41.5 38.9 66 268 B L H > + 0 0 44 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.789 360.0 54.3 -71.1 -32.9 25.7 41.2 35.2 67 269 B L H > S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 114.4 42.3 -66.3 -40.9 29.5 41.5 35.2 68 270 B Q H > S+ 0 0 61 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.830 110.2 58.1 -73.8 -33.0 29.7 38.6 37.8 69 271 B R H X S+ 0 0 74 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.956 107.3 46.7 -60.2 -55.1 27.1 36.6 35.9 70 272 B C H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.844 110.8 53.0 -47.3 -43.0 29.2 36.6 32.7 71 273 B E H X S+ 0 0 49 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.923 106.2 53.1 -67.0 -41.2 32.3 35.7 34.7 72 274 B S H X S+ 0 0 77 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.882 109.8 51.1 -55.5 -41.5 30.4 32.7 36.2 73 275 B L H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.950 107.3 47.0 -64.5 -57.1 29.6 31.6 32.6 74 276 B E H < S+ 0 0 69 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.726 115.5 50.9 -61.4 -19.3 33.1 31.7 31.0 75 277 B K H X S+ 0 0 53 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.824 110.5 48.5 -78.8 -36.8 34.2 29.8 34.1 76 278 B K H X S+ 0 0 87 -4,-1.5 4,-1.4 -3,-0.2 3,-0.2 0.957 112.9 44.4 -70.8 -52.8 31.4 27.2 33.7 77 279 B T H X S+ 0 0 6 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.760 107.3 61.4 -67.1 -25.6 31.9 26.5 30.1 78 280 B A H >> S+ 0 0 60 -4,-0.5 3,-0.8 -5,-0.4 4,-0.6 0.950 109.3 42.2 -59.6 -47.3 35.7 26.3 30.7 79 281 B T H 3X S+ 0 0 76 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.743 100.8 72.6 -72.8 -23.4 35.0 23.4 33.0 80 282 B F H 3X S+ 0 0 5 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.818 89.1 61.8 -61.9 -31.5 32.5 22.0 30.6 81 283 B E H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 3,-0.6 0.923 110.3 52.7 -56.7 -47.3 29.3 -4.2 27.9 99 301 B E H 3X S+ 0 0 70 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.951 109.2 48.9 -50.1 -51.7 30.7 -5.5 24.6 100 302 B A H 3X S+ 0 0 50 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.709 108.3 55.9 -65.8 -20.1 33.1 -7.8 26.5 101 303 B C H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 3,-1.0 0.954 105.2 55.3 -55.7 -50.9 28.2 -14.7 27.2 106 308 B R H 3X S+ 0 0 111 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.860 106.2 52.0 -55.6 -35.9 28.4 -15.9 23.6 107 309 B L H 3X S+ 0 0 92 -4,-1.9 4,-1.5 2,-0.2 -1,-0.3 0.810 109.0 50.7 -65.5 -33.9 31.4 -18.2 24.5 108 310 B D H + 0 0 153 2,-0.2 4,-1.5 1,-0.1 5,-0.1 0.632 360.0 67.5-106.0 -17.1 33.9 42.4 23.0 131 268 C K H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.816 99.7 53.3 -70.9 -26.9 31.9 40.8 25.9 132 269 C E H > S+ 0 0 55 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.766 107.6 52.9 -73.5 -22.1 29.1 40.1 23.4 133 270 C K H > S+ 0 0 157 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.801 107.2 50.9 -79.7 -33.4 31.7 38.4 21.3 134 271 C L H X S+ 0 0 43 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.992 109.1 50.5 -61.0 -62.4 32.8 36.3 24.3 135 272 C L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.3 -2,-0.2 0.800 108.9 52.5 -45.8 -38.8 29.2 35.2 24.9 136 273 C A H X S+ 0 0 39 -4,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.962 106.8 53.0 -61.2 -52.2 28.9 34.3 21.3 137 274 C E H X S+ 0 0 107 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.911 111.5 46.4 -46.1 -51.7 32.0 32.1 21.6 138 275 C L H X S+ 0 0 6 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.931 106.6 56.3 -60.1 -49.4 30.5 30.4 24.6 139 276 C E H X S+ 0 0 43 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.893 110.5 46.6 -51.1 -44.1 27.1 29.8 22.9 140 277 C G H X S+ 0 0 41 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.905 111.9 47.5 -67.7 -46.6 28.8 27.9 20.1 141 278 C K H >X S+ 0 0 47 -4,-2.0 4,-2.7 -5,-0.2 3,-0.5 0.957 109.5 55.3 -57.0 -50.3 31.0 25.8 22.2 142 279 C L H 3X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.3 -2,-0.2 0.858 103.7 54.9 -52.5 -37.2 28.0 24.9 24.3 143 280 C R H 3X S+ 0 0 37 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.3 0.896 109.1 48.2 -62.4 -38.8 26.2 23.7 21.2 144 281 C V H X S+ 0 0 102 -4,-1.1 3,-1.6 -5,-0.2 4,-1.3 0.909 107.7 49.8 -70.8 -46.5 18.3 -12.2 29.3 169 306 C Q H 3X S+ 0 0 78 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.786 105.0 61.8 -65.0 -23.5 19.6 -15.0 27.1 170 307 C S H 3X S+ 0 0 27 -4,-1.2 4,-1.0 -5,-0.2 -1,-0.3 0.548 96.5 57.6 -83.6 -6.5 21.7 -16.0 30.1 171 308 C Q H <> S+ 0 0 104 -3,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.879 109.2 44.0 -82.4 -44.1 18.7 -16.7 32.2 172 309 C L H X S+ 0 0 89 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.786 111.8 57.6 -62.8 -30.2 17.4 -19.2 29.6 173 310 C D H X S+ 0 0 28 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.843 101.7 51.7 -72.1 -35.9 21.0 -20.4 29.6 174 311 C R H X S+ 0 0 27 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.723 107.3 56.3 -71.3 -21.8 21.0 -21.2 33.3 175 312 C E H X S+ 0 0 120 -4,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.925 106.5 47.1 -71.2 -49.5 17.8 -23.2 32.7 176 313 C R H X S+ 0 0 38 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.884 111.5 55.0 -56.4 -39.6 19.5 -25.4 30.2 177 314 C I H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.964 109.2 43.8 -60.3 -51.2 22.4 -25.7 32.7 178 315 C L H X S+ 0 0 91 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.859 113.5 52.0 -67.8 -33.5 20.2 -27.0 35.5 179 316 C S H X S+ 0 0 58 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.930 110.0 49.8 -59.8 -47.7 18.4 -29.3 33.1 180 317 C L H X S+ 0 0 3 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.851 107.7 53.1 -62.1 -36.7 21.8 -30.6 32.0 181 318 C E H X S+ 0 0 56 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.934 112.4 45.2 -63.9 -42.6 22.9 -31.2 35.6 182 319 C Q H X S+ 0 0 134 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.961 112.6 49.2 -65.3 -53.4 19.8 -33.2 36.2 183 320 C R H X S+ 0 0 63 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.853 115.2 47.3 -48.1 -40.2 20.1 -35.2 33.0 184 321 C V H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.850 106.6 53.3 -76.9 -39.6 23.7 -35.8 33.9 185 322 C V H X S+ 0 0 60 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.910 106.9 56.9 -57.8 -40.8 23.0 -36.9 37.5 186 323 C E H X S+ 0 0 101 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.931 106.5 47.7 -53.1 -50.5 20.6 -39.4 35.9 187 324 C L H < S+ 0 0 9 -4,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.864 107.2 56.7 -62.1 -37.7 23.4 -40.8 33.9 188 325 C Q H >< S+ 0 0 75 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.860 108.9 47.8 -58.8 -34.8 25.6 -41.1 36.9 189 326 C Q H 3< S+ 0 0 149 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.560 103.3 57.3 -94.8 -11.2 23.0 -43.2 38.7 190 327 C T T 3< 0 0 91 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.1 -0.330 360.0 360.0-105.2 47.7 22.2 -45.7 36.0 191 328 C L < 0 0 117 -3,-0.6 -1,-0.2 0, 0.0 -2,-0.1 0.105 360.0 360.0-139.6 360.0 25.9 -46.6 35.9 192 !* 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 0.0 193 25 D M 0 0 160 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.7 39.9 23.0 23.3 194 26 D L - 0 0 17 1,-0.1 -112,-0.0 2,-0.1 5,-0.0 -0.476 360.0 -89.0 -87.6 157.9 38.3 19.6 22.3 195 27 D S > - 0 0 59 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.212 27.4-119.6 -68.0 152.7 39.8 17.2 19.8 196 28 D C H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.854 116.9 59.1 -56.7 -35.6 39.0 17.4 16.1 197 29 D E H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 106.4 46.3 -56.0 -49.1 37.6 13.9 16.5 198 30 D L H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.923 110.6 51.5 -60.5 -46.1 35.1 15.1 19.2 199 31 D Y H < S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.864 111.5 49.1 -58.9 -36.9 34.1 18.0 17.1 200 32 D R H >< S+ 0 0 26 -4,-2.0 3,-1.2 -5,-0.2 25,-0.5 0.880 109.9 51.8 -65.7 -40.5 33.5 15.5 14.2 201 33 D M H >< S+ 0 0 4 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.924 96.1 67.1 -62.2 -45.5 31.5 13.3 16.6 202 34 D S G >< S+ 0 0 10 -4,-2.8 3,-0.7 1,-0.3 -1,-0.3 0.625 87.5 71.5 -53.0 -12.3 29.3 16.2 17.7 203 35 D T G < S+ 0 0 49 -3,-1.2 -1,-0.3 1,-0.2 3,-0.3 0.368 84.9 70.9 -83.5 7.0 27.9 16.2 14.1 204 36 D Y G X + 0 0 0 -3,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.188 56.0 107.5-112.4 16.1 26.1 12.9 14.8 205 37 D S T < S+ 0 0 35 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.780 88.7 43.4 -65.0 -24.1 23.3 14.0 17.2 206 38 D T T 3 S+ 0 0 100 -3,-0.3 -1,-0.3 19,-0.0 -2,-0.1 0.011 83.5 134.1-113.4 21.3 20.8 13.4 14.4 207 39 D F < - 0 0 5 -3,-1.5 23,-0.1 1,-0.1 -3,-0.1 -0.491 59.6-107.3 -74.4 139.9 22.2 10.1 13.1 208 40 D P - 0 0 50 0, 0.0 3,-0.5 0, 0.0 2,-0.2 -0.262 26.9-119.5 -66.6 156.1 19.6 7.4 12.4 209 41 D A S S+ 0 0 105 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.588 90.5 49.0 -87.8 160.0 19.1 4.3 14.6 210 42 D G S S+ 0 0 77 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 0.231 71.5 136.7 97.4 -12.2 19.6 0.8 13.2 211 43 D V - 0 0 34 -3,-0.5 -1,-0.3 1,-0.1 34,-0.1 -0.566 55.5-137.1 -74.7 124.8 22.9 1.6 11.6 212 44 D P S S+ 0 0 62 0, 0.0 35,-0.6 0, 0.0 2,-0.4 0.407 81.4 67.0 -65.9 -0.8 25.4 -1.3 12.2 213 45 D V S S- 0 0 16 31,-0.1 -2,-0.1 33,-0.1 31,-0.1 -0.980 83.0-115.8-131.2 142.9 28.3 1.1 13.0 214 46 D S > - 0 0 53 -2,-0.4 4,-1.3 1,-0.1 3,-0.2 -0.334 17.0-128.9 -75.0 147.4 28.9 3.5 15.9 215 47 D E H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.731 107.4 66.8 -64.1 -17.4 29.1 7.2 15.4 216 48 D R H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.952 102.8 37.4 -69.1 -52.9 32.3 6.8 17.4 217 49 D S H > S+ 0 0 15 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.724 114.1 59.8 -74.1 -20.2 34.4 4.8 14.9 218 50 D L H <>S+ 0 0 0 -4,-1.3 5,-2.0 2,-0.2 -1,-0.2 0.891 110.2 40.4 -69.4 -45.3 32.9 6.8 12.1 219 51 D A H ><5S+ 0 0 1 -4,-1.8 3,-2.3 3,-0.2 -2,-0.2 0.910 113.0 54.0 -67.4 -45.1 34.2 10.0 13.6 220 52 D R H 3<5S+ 0 0 90 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.793 102.9 60.0 -59.2 -28.4 37.6 8.3 14.5 221 53 D A T 3<5S- 0 0 0 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.345 126.4-102.5 -81.1 2.2 37.8 7.3 10.8 222 54 D G T < 5S+ 0 0 0 -3,-2.3 13,-1.2 1,-0.3 2,-0.4 0.534 79.0 127.3 92.4 9.6 37.7 11.0 9.9 223 55 D F E < -A 234 0A 0 -5,-2.0 2,-0.3 11,-0.2 -1,-0.3 -0.787 40.4-159.1-103.3 140.8 34.1 11.4 8.7 224 56 D Y E -A 233 0A 82 9,-3.1 9,-2.1 -2,-0.4 2,-0.4 -0.825 36.6 -95.6-106.4 156.5 31.5 13.9 9.8 225 57 D Y E -A 232 0A 17 -25,-0.5 7,-0.3 -2,-0.3 -20,-0.1 -0.570 23.5-154.3 -73.1 126.2 27.7 13.3 9.4 226 58 D T - 0 0 38 5,-2.7 6,-0.1 -2,-0.4 -1,-0.1 0.543 37.3-119.3 -77.8 -8.0 26.3 14.9 6.2 227 59 D G S S+ 0 0 49 4,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.222 83.8 105.8 89.0 -11.6 22.8 15.1 7.8 228 60 D V S > S- 0 0 81 3,-0.4 3,-2.3 -21,-0.0 -2,-0.2 -0.899 93.5 -58.6-109.3 121.2 21.4 12.9 5.1 229 61 D N T 3 S- 0 0 119 -2,-0.5 -2,-0.1 1,-0.3 13,-0.0 -0.213 108.3 -33.3 48.6-123.9 20.5 9.3 5.9 230 62 D D T 3 S+ 0 0 21 -23,-0.1 2,-0.3 -4,-0.1 -1,-0.3 0.059 101.7 135.5-109.6 25.6 23.5 7.4 7.2 231 63 D K < + 0 0 51 -3,-2.3 -5,-2.7 11,-0.1 -4,-0.4 -0.558 28.9 178.9 -86.8 128.9 25.9 9.4 4.9 232 64 D V E -AB 225 241A 0 9,-2.0 9,-1.4 -2,-0.3 2,-0.3 -0.719 11.7-149.0-122.7 172.6 29.2 10.7 6.2 233 65 D K E -AB 224 240A 58 -9,-2.1 -9,-3.1 -2,-0.2 2,-0.6 -0.996 19.4-121.3-149.0 134.2 32.0 12.7 4.7 234 66 D C E > -A 223 0A 1 5,-2.2 4,-0.9 -2,-0.3 -11,-0.2 -0.693 19.7-148.3 -73.1 120.5 35.8 13.0 5.1 235 67 D F T 4 S+ 0 0 93 -13,-1.2 -1,-0.2 -2,-0.6 -12,-0.1 0.849 93.4 41.9 -52.8 -31.6 36.5 16.6 5.9 236 68 D C T 4 S+ 0 0 47 -14,-0.3 -1,-0.1 1,-0.1 -13,-0.0 0.981 128.7 15.2 -91.7 -68.1 39.8 16.2 4.2 237 69 D C T 4 S- 0 0 27 2,-0.1 -2,-0.1 21,-0.1 -1,-0.1 0.746 93.9-128.5 -83.4 -24.8 39.6 14.2 0.9 238 70 D G < + 0 0 21 -4,-0.9 2,-0.2 1,-0.3 -3,-0.1 0.605 45.3 163.6 87.4 12.2 35.8 14.5 0.7 239 71 D L - 0 0 28 19,-0.1 -5,-2.2 -6,-0.1 2,-0.4 -0.475 23.3-154.8 -58.8 127.9 35.1 10.8 0.3 240 72 D M E -B 233 0A 91 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.935 14.3-178.5-108.8 136.6 31.4 10.3 1.0 241 73 D L E +B 232 0A 18 -9,-1.4 -9,-2.0 -2,-0.4 2,-0.2 -0.989 6.7 161.2-135.8 144.1 30.1 6.9 2.1 242 74 D D + 0 0 74 -2,-0.3 -11,-0.1 1,-0.2 -13,-0.1 -0.748 45.1 58.7-144.5-167.9 26.6 5.4 3.0 243 75 D N - 0 0 132 -2,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.939 66.0-159.1 37.6 82.3 24.6 2.2 3.4 244 76 D W - 0 0 9 -3,-0.1 -1,-0.2 -31,-0.1 2,-0.1 -0.797 1.9-148.8 -94.1 119.8 26.8 0.6 6.2 245 77 D K > - 0 0 60 -2,-0.6 3,-1.6 1,-0.1 -34,-0.0 -0.428 37.0 -73.8 -85.6 161.1 26.5 -3.2 6.5 246 78 D R T 3 S+ 0 0 92 1,-0.3 -1,-0.1 -2,-0.1 -33,-0.1 -0.281 117.8 11.6 -55.9 127.9 26.8 -5.1 9.8 247 79 D G T 3 S+ 0 0 75 -35,-0.6 -1,-0.3 1,-0.2 -34,-0.1 0.660 86.2 160.1 79.5 18.6 30.5 -5.3 10.9 248 80 D D < - 0 0 49 -3,-1.6 -1,-0.2 1,-0.1 -4,-0.0 -0.310 37.7-134.1 -66.3 153.0 31.9 -2.7 8.4 249 81 D S > - 0 0 60 1,-0.1 4,-2.7 -36,-0.1 5,-0.2 -0.911 14.2-169.1-114.3 106.2 35.3 -1.1 9.2 250 82 D P H > S+ 0 0 6 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.853 88.9 49.9 -60.5 -41.5 35.0 2.7 8.6 251 83 D T H >> S+ 0 0 51 2,-0.2 4,-2.1 1,-0.2 3,-1.1 0.969 111.2 46.3 -60.7 -57.9 38.8 3.1 8.8 252 84 D E H 3> S+ 0 0 41 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.901 111.0 53.4 -55.6 -44.4 39.6 0.3 6.4 253 85 D K H 3X S+ 0 0 52 -4,-2.7 4,-1.4 1,-0.2 -1,-0.3 0.726 109.1 50.1 -63.4 -22.7 37.0 1.6 3.9 254 86 D H H < + 0 0 96 -4,-0.6 3,-2.2 -3,-0.2 -1,-0.2 -0.189 61.2 166.8-170.9 64.6 41.0 7.0 -1.1 259 91 D P T 3 S+ 0 0 83 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.615 75.8 70.9 -64.2 -12.0 44.6 6.1 0.1 260 92 D S T 3 + 0 0 87 4,-0.0 2,-0.2 5,-0.0 5,-0.1 0.570 67.3 121.7 -81.5 -12.5 45.6 9.6 -1.0 261 93 D C <> - 0 0 2 -3,-2.2 4,-1.3 -7,-0.2 5,-0.2 -0.354 59.5-144.9 -62.0 123.4 43.8 11.3 1.9 262 94 D R H > S+ 0 0 169 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.880 102.1 45.1 -51.4 -42.2 46.1 13.4 4.0 263 95 D F H >> S+ 0 0 21 1,-0.2 4,-1.8 2,-0.2 3,-1.2 0.943 108.3 53.6 -67.7 -50.4 44.1 12.4 7.0 264 96 D V H 34 S+ 0 0 14 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.677 105.0 59.3 -64.1 -14.2 43.7 8.8 6.2 265 97 D Q H 3< S+ 0 0 140 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.779 106.3 44.5 -83.6 -27.8 47.6 8.7 6.0 266 98 D S H << 0 0 92 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.1 0.764 360.0 360.0 -82.6 -28.7 48.1 9.9 9.6 267 99 D L < 0 0 110 -4,-1.8 -46,-0.0 -46,-0.1 -47,-0.0 -0.537 360.0 360.0 -74.5 360.0 45.5 7.5 10.9