==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 30-JAN-01 1H89 . COMPND 2 MOLECULE: CAAT/ENHANCER BINDING PROTEIN BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.H.TAHIROV,K.OGATA . 243 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 84.8 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 . 0 0.0 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 . 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 . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.9 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 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 273 A E >> 0 0 158 0, 0.0 4,-2.9 0, 0.0 3,-1.6 0.000 360.0 360.0 360.0 -86.4 34.8 45.9 87.9 2 274 A Y H 3> + 0 0 157 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.744 360.0 49.0 -21.0 -63.1 33.3 44.3 84.7 3 275 A K H 3> S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.921 120.3 36.4 -49.9 -50.0 33.9 47.5 82.7 4 276 A I H <> S+ 0 0 64 -3,-1.6 4,-3.0 2,-0.2 5,-0.3 0.889 112.3 59.4 -72.8 -38.8 37.5 47.7 83.9 5 277 A R H X S+ 0 0 143 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.959 110.3 44.1 -51.1 -52.2 38.0 43.9 83.9 6 278 A R H X S+ 0 0 89 -4,-3.1 4,-3.1 -5,-0.3 5,-0.3 0.941 111.8 50.6 -58.8 -53.0 37.2 44.0 80.2 7 279 A E H X S+ 0 0 89 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.934 114.6 45.6 -51.7 -48.6 39.3 47.1 79.4 8 280 A R H X S+ 0 0 176 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.860 113.0 48.7 -63.6 -41.1 42.3 45.4 81.1 9 281 A N H X S+ 0 0 68 -4,-2.6 4,-3.3 -5,-0.3 5,-0.2 0.947 106.3 56.7 -65.7 -48.7 41.8 42.0 79.5 10 282 A N H X S+ 0 0 63 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.843 107.1 50.1 -52.2 -35.9 41.5 43.5 76.0 11 283 A I H X S+ 0 0 101 -4,-1.4 4,-3.0 -5,-0.3 -1,-0.2 0.970 111.7 47.5 -66.5 -51.4 44.9 45.1 76.5 12 284 A A H X S+ 0 0 49 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.888 113.7 49.0 -54.9 -42.8 46.3 41.8 77.6 13 285 A V H X S+ 0 0 41 -4,-3.3 4,-2.7 2,-0.2 5,-0.3 0.960 111.2 46.6 -65.0 -51.8 44.7 40.1 74.7 14 286 A R H X S+ 0 0 148 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.938 115.8 49.1 -54.7 -46.1 46.0 42.6 72.1 15 287 A K H X S+ 0 0 130 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.962 110.9 47.3 -56.8 -58.1 49.4 42.3 73.7 16 288 A S H X S+ 0 0 84 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.897 113.9 48.2 -52.0 -46.8 49.5 38.5 73.7 17 289 A R H X S+ 0 0 185 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.878 109.9 52.0 -64.6 -38.8 48.4 38.3 70.1 18 290 A D H X S+ 0 0 92 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.987 106.5 52.9 -60.9 -57.4 50.9 40.9 69.0 19 291 A K H X S+ 0 0 108 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.897 112.4 46.5 -41.4 -52.1 53.8 39.0 70.6 20 292 A A H X S+ 0 0 31 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.933 107.7 54.9 -58.9 -49.7 52.7 35.9 68.8 21 293 A K H X S+ 0 0 138 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.832 111.4 47.4 -54.4 -32.8 52.3 37.7 65.4 22 294 A M H >X S+ 0 0 100 -4,-2.2 4,-2.4 -3,-0.3 3,-0.8 0.918 107.9 51.8 -76.5 -46.5 55.9 38.9 65.8 23 295 A R H 3X S+ 0 0 154 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.881 111.6 49.3 -57.9 -36.2 57.4 35.5 66.8 24 296 A N H 3X S+ 0 0 44 -4,-2.4 4,-1.0 1,-0.2 -1,-0.3 0.690 109.1 53.0 -75.8 -19.4 55.7 34.1 63.7 25 297 A L H X S+ 0 0 103 -4,-2.4 4,-3.4 2,-0.2 3,-1.5 0.989 111.6 49.3 -67.0 -58.5 60.7 36.2 62.8 27 299 A T H 3X S+ 0 0 33 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.841 109.9 52.9 -48.8 -37.8 60.4 32.5 62.3 28 300 A Q H 3X S+ 0 0 80 -4,-1.0 4,-1.3 2,-0.2 -1,-0.3 0.821 114.7 42.5 -68.2 -29.5 59.1 33.2 58.8 29 301 A H H X S+ 0 0 117 -4,-1.3 4,-2.1 2,-0.2 3,-1.0 0.963 113.6 44.6 -50.1 -60.2 63.9 32.7 54.2 33 305 A E H 3X S+ 0 0 91 -4,-2.2 4,-2.3 1,-0.3 5,-0.4 0.920 113.5 50.8 -50.2 -49.8 67.4 33.7 55.1 34 306 A L H 3X S+ 0 0 17 -4,-1.5 4,-1.1 -5,-0.3 -1,-0.3 0.754 111.7 49.0 -61.4 -23.8 68.2 30.1 55.9 35 307 A T H < S+ 0 0 64 -4,-1.8 3,-1.1 -5,-0.3 -1,-0.2 0.909 112.8 44.2 -71.5 -43.2 95.0 14.0 36.1 60 332 A K H 3< S+ 0 0 188 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.877 112.1 55.0 -69.8 -34.2 94.1 10.4 35.4 61 333 A Q T 3< S+ 0 0 154 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.356 82.3 129.0 -79.6 6.6 94.3 11.1 31.7 62 334 A L S < S- 0 0 58 -3,-1.1 -3,-0.1 -5,-0.2 -4,-0.0 -0.107 81.6 -84.5 -57.3 162.6 97.9 12.5 32.0 63 335 A P 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.842 360.0 360.0 -31.8 -65.3 100.6 11.1 29.7 64 336 A E 0 0 227 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.963 360.0 360.0 176.3 360.0 101.4 8.1 31.9 65 !* 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 66 273 B E > 0 0 162 0, 0.0 4,-3.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -14.1 20.9 34.6 54.0 67 274 B Y H > + 0 0 165 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.889 360.0 53.8 -41.5 -51.1 22.8 36.5 56.7 68 275 B K H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.938 112.5 45.1 -50.8 -48.5 22.3 33.5 59.0 69 276 B I H > S+ 0 0 68 -3,-0.5 4,-2.7 1,-0.2 5,-0.3 0.916 108.2 55.8 -62.4 -45.6 23.8 31.3 56.2 70 277 B R H X S+ 0 0 149 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.941 112.7 44.0 -52.2 -49.3 26.6 33.8 55.6 71 278 B R H X S+ 0 0 78 -4,-2.9 4,-3.1 2,-0.2 5,-0.4 0.984 111.3 49.5 -58.0 -67.3 27.6 33.5 59.3 72 279 B E H X S+ 0 0 107 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.880 116.0 45.8 -41.2 -48.5 27.3 29.8 59.7 73 280 B R H X S+ 0 0 180 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.3 0.918 113.0 49.2 -64.3 -44.2 29.5 29.4 56.6 74 281 B N H X S+ 0 0 62 -4,-2.5 4,-3.2 -5,-0.3 5,-0.2 0.902 106.2 54.9 -63.4 -42.9 32.0 32.0 57.7 75 282 B N H X S+ 0 0 78 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.821 110.0 48.6 -61.0 -29.5 32.4 30.6 61.2 76 283 B I H X S+ 0 0 113 -4,-1.2 4,-2.1 -5,-0.4 -1,-0.2 0.881 111.9 48.9 -75.3 -39.2 33.3 27.3 59.5 77 284 B A H X S+ 0 0 47 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.903 107.8 54.5 -65.6 -42.9 35.7 29.0 57.2 78 285 B V H X S+ 0 0 43 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.848 108.9 47.8 -61.5 -36.3 37.4 30.9 60.1 79 286 B R H X S+ 0 0 151 -4,-1.2 4,-2.8 -5,-0.2 5,-0.3 0.940 113.7 46.7 -71.3 -46.2 38.1 27.6 61.9 80 287 B K H X S+ 0 0 146 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.927 111.9 51.6 -59.7 -45.3 39.5 26.0 58.8 81 288 B S H X S+ 0 0 73 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.914 113.6 45.2 -57.4 -44.3 41.6 29.0 58.1 82 289 B R H X S+ 0 0 165 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.882 109.4 51.4 -71.1 -39.3 42.9 29.0 61.6 83 290 B D H X S+ 0 0 82 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.920 111.4 52.5 -61.6 -39.7 43.7 25.2 61.9 84 291 B K H >X S+ 0 0 144 -4,-2.2 4,-2.7 -5,-0.3 3,-0.7 0.969 111.5 43.3 -58.7 -56.3 45.6 25.7 58.6 85 292 B A H 3X S+ 0 0 24 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.841 109.5 57.3 -60.6 -35.4 47.7 28.6 59.9 86 293 B K H 3X S+ 0 0 136 -4,-2.5 4,-1.1 2,-0.2 -1,-0.3 0.838 112.2 43.0 -65.0 -31.5 48.3 26.8 63.2 87 294 B M H X S+ 0 0 116 -4,-1.6 4,-2.2 -3,-0.3 3,-1.0 0.903 101.0 57.3 -73.6 -43.8 60.4 22.9 62.0 95 302 B K H 3X S+ 0 0 113 -4,-2.0 4,-2.8 1,-0.3 5,-0.3 0.873 99.6 61.8 -55.7 -36.3 61.9 24.0 58.7 96 303 B V H 3X S+ 0 0 28 -4,-1.7 4,-1.6 2,-0.2 -1,-0.3 0.873 107.2 44.1 -57.5 -37.2 64.1 26.4 60.8 97 304 B L H X S+ 0 0 65 -4,-3.3 4,-2.5 1,-0.2 3,-0.7 0.990 110.8 53.0 -55.0 -65.3 71.4 21.2 56.6 103 310 B N H 3X S+ 0 0 6 -4,-3.3 4,-2.2 1,-0.3 -1,-0.2 0.769 107.7 55.4 -40.0 -33.8 73.2 24.5 56.2 104 311 B E H 3X S+ 0 0 94 -4,-1.1 4,-1.3 -5,-0.4 -1,-0.3 0.953 108.5 43.7 -70.2 -49.9 75.6 23.2 58.8 105 312 B R H X S+ 0 0 78 -4,-2.5 4,-2.3 1,-0.2 3,-1.4 0.926 113.6 45.6 -43.0 -67.2 86.1 19.7 52.7 113 320 B L H 3X S+ 0 0 7 -4,-2.7 4,-3.3 1,-0.3 5,-0.2 0.886 108.6 57.8 -47.4 -46.2 85.9 20.0 49.0 114 321 B S H 3X S+ 0 0 50 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.3 0.853 108.9 46.3 -55.4 -35.5 87.9 23.2 49.0 115 322 B R H < S+ 0 0 85 -4,-2.5 3,-1.6 2,-0.2 4,-0.3 0.961 108.2 43.2 -63.5 -51.4 99.6 18.3 43.3 124 331 B F H >< S+ 0 0 53 -4,-2.1 3,-3.3 1,-0.3 -2,-0.2 0.969 107.8 58.9 -56.3 -55.4 99.4 19.2 39.6 125 332 B K T 3< S+ 0 0 180 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.509 102.6 59.2 -55.0 -0.3 101.6 22.3 40.2 126 333 B Q T < S+ 0 0 147 -3,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.522 80.7 99.0-107.4 -9.1 104.1 19.8 41.5 127 334 B L S < S- 0 0 80 -3,-3.3 2,-0.2 -4,-0.3 -3,-0.0 -0.606 75.0-120.6 -80.5 139.2 104.5 17.7 38.3 128 335 B P 0 0 112 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.511 360.0 360.0 -80.7 147.7 107.5 18.5 36.1 129 336 B E 0 0 257 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.248 360.0 360.0 -47.4 360.0 107.1 19.7 32.5 130 !* 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 0.0 131 77 C Q > 0 0 204 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -39.4 44.4 36.9 121.8 132 78 C C H > + 0 0 116 1,-0.2 4,-1.1 2,-0.2 5,-0.2 0.944 360.0 42.5 -58.2 -53.3 41.7 39.5 122.2 133 79 C Q H > S+ 0 0 120 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.868 114.5 51.8 -64.1 -36.9 44.0 42.5 122.0 134 80 C H H > S+ 0 0 96 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.820 105.3 55.3 -69.7 -30.9 45.9 41.0 119.0 135 81 C R H <>S+ 0 0 155 -4,-2.0 5,-1.5 2,-0.1 -1,-0.2 0.765 119.7 33.1 -72.2 -25.1 42.7 40.3 117.1 136 82 C W H ><>S+ 0 0 150 -4,-1.1 5,-1.6 -3,-0.2 3,-1.0 0.895 118.9 46.6 -94.3 -55.0 41.8 44.0 117.4 137 83 C Q H 3<5S+ 0 0 95 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.1 0.803 126.0 33.0 -58.6 -31.7 45.2 45.8 117.3 138 84 C K T 3<5S+ 0 0 110 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.1 0.249 133.2 14.4-112.4 12.6 46.3 43.7 114.3 139 85 C V T < 5S+ 0 0 55 -3,-1.0 -3,-0.2 -4,-0.0 5,-0.2 0.348 114.8 44.0-143.0 -79.7 43.0 43.1 112.4 140 86 C L T < - 0 0 45 -5,-1.6 3,-1.5 1,-0.2 -4,-0.0 -0.150 61.1-149.0 -40.9 110.5 41.3 48.5 113.2 142 88 C P T 3 S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.421 88.4 68.3 -67.6 0.2 39.7 50.1 110.0 143 89 C E T 3 + 0 0 131 2,-0.1 2,-1.0 35,-0.0 -2,-0.1 0.378 68.4 113.6-101.3 2.9 42.8 52.3 109.5 144 90 C L < - 0 0 39 -3,-1.5 2,-0.5 -5,-0.2 35,-0.1 -0.652 59.5-149.0 -80.2 103.0 45.1 49.4 108.5 145 91 C I + 0 0 61 -2,-1.0 35,-0.2 1,-0.1 -2,-0.1 -0.610 26.3 167.3 -73.1 118.6 46.0 49.8 104.9 146 92 C K + 0 0 163 -2,-0.5 -1,-0.1 33,-0.1 -2,-0.0 -0.004 43.4 101.2-121.2 27.2 46.5 46.3 103.4 147 93 C G S S- 0 0 37 1,-0.2 2,-0.0 0, 0.0 -2,-0.0 0.127 77.7 -42.7 -92.0-153.4 46.6 47.3 99.8 148 94 C P - 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.298 56.6-109.1 -75.3 160.3 49.3 47.9 97.1 149 95 C W - 0 0 41 4,-0.1 2,-0.2 -2,-0.0 0, 0.0 -0.811 25.7-147.1 -99.0 124.6 52.6 49.7 97.7 150 96 C T > - 0 0 55 -2,-0.5 4,-2.8 1,-0.1 5,-0.4 -0.616 29.2-110.5 -87.8 145.9 53.2 53.1 96.1 151 97 C K H > S+ 0 0 155 1,-0.3 4,-1.3 -2,-0.2 -1,-0.1 0.777 121.6 51.4 -43.0 -33.1 56.7 54.2 94.9 152 98 C E H > S+ 0 0 136 2,-0.2 4,-2.8 3,-0.2 -1,-0.3 0.958 109.1 47.0 -71.0 -53.8 56.6 56.7 97.8 153 99 C E H > S+ 0 0 30 -3,-0.3 4,-1.8 1,-0.3 -2,-0.2 0.942 116.1 45.4 -52.7 -50.9 55.7 54.1 100.5 154 100 C D H X S+ 0 0 14 -4,-2.8 4,-1.9 1,-0.2 -1,-0.3 0.848 111.9 55.9 -62.4 -31.2 58.4 51.8 99.1 155 101 C Q H X S+ 0 0 113 -4,-1.3 4,-2.4 -5,-0.4 -2,-0.2 0.919 103.3 50.5 -67.5 -45.9 60.7 54.8 99.0 156 102 C R H X S+ 0 0 92 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.906 112.3 48.9 -59.3 -42.8 60.3 55.8 102.7 157 103 C V H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.898 111.3 48.7 -64.8 -42.0 61.1 52.2 103.7 158 104 C I H X S+ 0 0 38 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.865 112.4 49.1 -66.3 -37.1 64.2 52.0 101.4 159 105 C K H X S+ 0 0 132 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.972 116.8 41.0 -65.8 -54.3 65.4 55.3 102.8 160 106 C L H >X>S+ 0 0 6 -4,-2.6 4,-3.5 1,-0.2 3,-1.0 0.973 115.1 49.0 -57.3 -60.8 65.0 54.3 106.4 161 107 C V H 3X5S+ 0 0 5 -4,-2.9 4,-0.8 1,-0.3 -1,-0.2 0.781 113.2 50.6 -52.0 -27.4 66.2 50.7 106.0 162 108 C Q H 3<5S+ 0 0 157 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.816 117.6 37.6 -81.7 -29.4 69.2 52.2 104.2 163 109 C K H <<5S+ 0 0 151 -4,-1.8 -2,-0.2 -3,-1.0 -3,-0.2 0.863 133.0 21.5 -89.2 -39.6 69.9 54.7 107.0 164 110 C Y H <5S- 0 0 114 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.1 0.391 110.9-108.7-110.7 2.1 69.1 52.7 110.1 165 111 C G << - 0 0 19 -4,-0.8 2,-1.9 -5,-0.6 -1,-0.2 0.016 42.7 -61.3 91.3 160.7 69.4 49.1 108.8 166 112 C P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.351 104.8 75.5 -78.7 57.8 67.0 46.3 108.1 167 113 C K + 0 0 115 -2,-1.9 5,-0.2 1,-0.2 -3,-0.1 -0.882 56.9 60.3-152.3-178.0 65.6 45.9 111.6 168 114 C R > + 0 0 135 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 0.955 55.9 169.6 54.6 51.3 63.4 47.6 114.2 169 115 C W H > + 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.798 69.5 61.0 -65.3 -29.0 60.4 47.1 111.8 170 116 C S H > S+ 0 0 90 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.925 111.7 39.9 -62.9 -42.9 57.9 48.1 114.5 171 117 C V H >> S+ 0 0 86 -3,-0.2 3,-1.3 2,-0.2 4,-0.6 0.971 114.3 51.3 -69.1 -55.7 59.6 51.4 114.7 172 118 C I H >< S+ 0 0 6 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.872 104.5 60.0 -48.9 -41.5 60.2 51.8 110.9 173 119 C A H >< S+ 0 0 6 -4,-2.6 3,-3.0 1,-0.3 -1,-0.3 0.855 90.2 69.0 -56.6 -37.6 56.5 51.0 110.4 174 120 C K H << S+ 0 0 177 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.761 92.2 60.8 -54.6 -25.0 55.6 54.1 112.5 175 121 C H T << S+ 0 0 100 -3,-1.7 2,-0.4 -4,-0.6 -1,-0.3 0.287 99.0 69.1 -84.3 8.8 56.9 56.2 109.7 176 122 C L S X S- 0 0 10 -3,-3.0 3,-1.1 3,-0.3 -1,-0.1 -0.889 83.5-131.7-135.3 106.5 54.3 54.6 107.4 177 123 C K T 3 S+ 0 0 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X>S+ 0 0 59 -4,-2.4 4,-1.9 -5,-0.2 5,-1.9 0.878 112.3 45.6 -69.3 -36.1 58.0 44.2 101.5 188 134 C W H <>S+ 0 0 25 -4,-2.5 5,-2.9 3,-0.2 -2,-0.2 0.953 114.2 45.8 -72.2 -48.6 61.7 44.9 102.0 189 135 C H H <5S+ 0 0 61 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.832 122.8 35.2 -65.6 -31.1 62.9 41.3 102.0 190 136 C N H <5S+ 0 0 17 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.800 136.6 3.2 -94.9 -28.3 60.9 40.3 99.0 191 137 C H T <5S+ 0 0 83 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.1 0.766 123.8 42.7-125.5 -45.6 60.9 43.4 96.8 192 138 C L T < - 0 0 27 -5,-2.9 3,-1.2 -6,-0.2 -35,-0.0 -0.348 69.9-139.4 -55.2 123.0 66.1 44.9 99.1 194 140 C P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.827 97.8 64.4 -54.3 -36.2 68.6 45.6 96.3 195 141 C E T 3 S+ 0 0 134 2,-0.1 2,-0.3 33,-0.0 -2,-0.1 0.825 77.7 102.7 -59.4 -32.3 70.2 42.1 96.6 196 142 C V S < S- 0 0 24 -3,-1.2 2,-0.3 1,-0.1 34,-0.2 -0.369 71.2-139.8 -59.1 116.2 66.9 40.5 95.6 197 143 C K - 0 0 82 32,-2.4 34,-0.2 -2,-0.3 -1,-0.1 -0.594 19.4-172.2 -79.9 136.3 67.2 39.4 91.9 198 144 C K + 0 0 156 -2,-0.3 -1,-0.1 32,-0.1 3,-0.1 0.122 47.2 122.2-113.3 18.5 64.3 40.0 89.7 199 145 C T S S- 0 0 87 1,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.302 73.5 -85.3 -77.5 160.8 65.8 38.1 86.8 200 146 C S - 0 0 103 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.373 55.4 -93.6 -65.9 146.6 64.3 35.1 85.0 201 147 C W - 0 0 63 -3,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.458 42.0-142.2 -65.7 123.8 65.0 31.7 86.7 202 148 C T > - 0 0 63 -2,-0.3 4,-1.3 1,-0.1 -1,-0.1 -0.225 19.6-114.9 -78.5 173.7 68.0 30.0 85.2 203 149 C E H > S+ 0 0 172 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.839 114.0 58.6 -78.3 -33.3 68.3 26.3 84.6 204 150 C E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 104.8 49.4 -58.9 -51.7 71.1 26.0 87.1 205 151 C E H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.939 109.4 53.5 -53.9 -48.2 69.0 27.4 89.9 206 152 C D H X S+ 0 0 39 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.898 106.6 51.0 -53.4 -46.2 66.2 25.0 88.9 207 153 C R H X S+ 0 0 120 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.936 112.1 47.8 -57.7 -47.5 68.6 22.0 89.2 208 154 C I H X S+ 0 0 30 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.922 112.8 48.5 -59.0 -48.7 69.7 23.2 92.7 209 155 C I H X S+ 0 0 0 -4,-2.9 4,-3.4 2,-0.2 5,-0.2 0.974 114.3 43.8 -57.7 -57.9 66.1 23.7 93.8 210 156 C Y H X S+ 0 0 128 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.925 116.4 47.7 -54.3 -49.2 64.9 20.3 92.6 211 157 C Q H X S+ 0 0 84 -4,-2.9 4,-1.1 -5,-0.3 3,-0.4 0.954 116.2 44.0 -57.2 -51.1 67.9 18.5 94.0 212 158 C A H X>S+ 0 0 8 -4,-3.2 4,-3.0 -5,-0.2 5,-0.5 0.872 109.1 56.2 -63.1 -39.8 67.6 20.3 97.3 213 159 C H H X5S+ 0 0 36 -4,-3.4 4,-0.9 1,-0.2 -1,-0.2 0.823 99.6 60.2 -64.3 -30.5 63.8 19.8 97.5 214 160 C K H <5S+ 0 0 146 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.899 116.6 34.0 -61.7 -40.0 64.3 16.1 97.2 215 161 C R H <5S+ 0 0 176 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.1 0.961 133.3 22.2 -77.7 -59.9 66.4 16.2 100.4 216 162 C L H <5S- 0 0 57 -4,-3.0 2,-0.3 1,-0.2 -3,-0.2 0.794 85.4-156.3 -84.1 -34.9 64.8 19.0 102.5 217 163 C G << - 0 0 19 -4,-0.9 2,-1.7 -5,-0.5 -1,-0.2 -0.687 69.4 -3.6 90.4-144.5 61.3 19.2 101.2 218 164 C N S S+ 0 0 106 -2,-0.3 2,-1.0 1,-0.1 3,-0.2 -0.222 87.6 130.0 -81.6 50.5 59.4 22.5 101.7 219 165 C R > + 0 0 147 -2,-1.7 4,-3.0 1,-0.2 5,-0.3 -0.585 25.2 164.5-101.4 67.3 62.2 24.0 103.7 220 166 C W H > S+ 0 0 34 -2,-1.0 4,-3.1 1,-0.2 -1,-0.2 0.888 71.6 52.7 -50.1 -49.9 62.2 27.1 101.5 221 167 C A H > S+ 0 0 61 -3,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.932 112.8 46.1 -54.8 -46.6 64.2 29.2 104.0 222 168 C E H >4 S+ 0 0 77 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.971 114.4 45.5 -59.6 -57.9 66.8 26.4 104.0 223 169 C I H >X S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.3 4,-0.7 0.851 102.3 68.5 -54.3 -37.6 66.9 26.0 100.2 224 170 C A H >< S+ 0 0 18 -4,-3.1 3,-0.6 1,-0.3 6,-0.3 0.754 89.0 64.2 -55.5 -27.9 67.0 29.8 99.9 225 171 C K T << S+ 0 0 155 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.738 97.8 56.1 -69.3 -22.9 70.5 29.8 101.4 226 172 C L T <4 S+ 0 0 92 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.685 96.7 72.4 -82.0 -20.9 71.7 27.8 98.3 227 173 C L S X< S- 0 0 3 -4,-0.7 3,-1.4 -3,-0.6 -1,-0.1 -0.875 78.5-139.5-106.1 113.4 70.5 30.5 95.9 228 174 C P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -33,-0.0 0.786 90.3 5.4 -27.7 -74.2 72.5 33.8 95.7 229 175 C G T 3 S+ 0 0 10 -33,-0.1 -32,-2.4 2,-0.1 2,-0.4 -0.070 100.0 111.0-116.5 38.1 69.7 36.4 95.4 230 176 C R < - 0 0 19 -3,-1.4 -3,-0.2 -6,-0.3 2,-0.2 -0.916 56.2-137.8-114.0 133.8 66.5 34.5 95.7 231 177 C T >> - 0 0 27 -2,-0.4 4,-1.9 -34,-0.2 3,-0.7 -0.545 27.5-111.8 -85.9 154.7 64.1 34.8 98.7 232 178 C D H 3> S+ 0 0 71 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.883 120.5 55.5 -49.1 -40.6 62.5 31.8 100.3 233 179 C N H 3> S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.882 102.7 55.3 -61.4 -40.4 59.2 33.2 98.9 234 180 C A H <> S+ 0 0 27 -3,-0.7 4,-3.7 2,-0.2 5,-0.2 0.959 111.6 42.6 -58.6 -52.2 60.5 33.3 95.4 235 181 C I H X S+ 0 0 0 -4,-1.9 4,-3.7 1,-0.2 5,-0.4 0.966 111.8 54.5 -59.2 -52.3 61.4 29.6 95.5 236 182 C K H X S+ 0 0 78 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.880 115.9 40.4 -48.2 -41.6 58.1 28.7 97.2 237 183 C N H X S+ 0 0 88 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.967 114.7 50.1 -71.8 -53.9 56.4 30.5 94.3 238 184 C H H ><>S+ 0 0 8 -4,-3.7 5,-3.1 1,-0.2 3,-0.5 0.906 115.3 44.7 -50.2 -47.7 58.6 29.2 91.6 239 185 C W H 3<>S+ 0 0 32 -4,-3.7 5,-0.5 1,-0.2 -1,-0.2 0.948 109.5 53.9 -64.1 -50.7 58.2 25.7 92.8 240 186 C N H 3<5S+ 0 0 75 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.629 129.5 6.9 -62.7 -14.3 54.4 25.8 93.3 241 187 C S T X<5S+ 0 0 73 -4,-1.2 3,-2.6 -3,-0.5 -3,-0.1 0.224 131.5 29.2-127.5-105.7 53.8 27.0 89.8 242 188 C T T 3 5S+ 0 0 76 1,-0.3 -3,-0.2 -5,-0.1 -4,-0.1 0.768 122.6 49.9 -24.5 -59.8 56.5 27.3 87.0 243 189 C M T 3