==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 06-FEB-13 4J47 . COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE XIAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.LUKACS,C.A.JANSON . 163 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 51.5 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 . 17 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 5 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 3 2 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 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 1 151 A G 0 0 78 0, 0.0 138,-0.1 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 167.2 11.8 14.3 23.4 2 152 A T + 0 0 3 136,-0.1 137,-1.9 148,-0.1 2,-0.3 0.606 360.0 44.8 -89.1 -9.8 14.2 13.4 20.6 3 153 A I - 0 0 36 135,-0.2 135,-0.1 137,-0.1 49,-0.0 -0.827 69.1-169.1-123.4 158.4 15.1 17.1 20.0 4 154 A Y - 0 0 167 -2,-0.3 2,-0.2 48,-0.1 -2,-0.0 -0.922 22.7-119.4-152.1 130.4 15.8 19.7 22.7 5 155 A P - 0 0 16 0, 0.0 47,-0.3 0, 0.0 48,-0.2 -0.452 14.5-134.5 -71.0 138.3 16.2 23.5 22.4 6 156 A R S S+ 0 0 179 46,-1.9 46,-0.2 1,-0.2 45,-0.1 0.869 103.6 28.4 -54.1 -36.1 19.5 25.0 23.4 7 157 A N - 0 0 41 44,-3.1 3,-0.5 1,-0.1 -1,-0.2 -0.808 66.2-178.6-133.9 90.5 17.4 27.7 25.3 8 158 A P S > S+ 0 0 60 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.876 83.7 57.7 -56.2 -33.2 14.0 26.5 26.6 9 159 A A G > S+ 0 0 70 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.906 103.3 53.9 -70.2 -32.0 13.1 29.9 28.1 10 160 A M G 3 S+ 0 0 33 -3,-0.5 -1,-0.3 1,-0.3 41,-0.2 0.362 77.5 100.2 -85.8 10.4 13.5 31.5 24.7 11 161 A Y G < + 0 0 159 -3,-1.9 2,-0.4 40,-0.1 -1,-0.3 0.841 68.9 80.0 -54.5 -37.2 11.1 29.0 23.4 12 162 A S S <> S- 0 0 55 -3,-1.2 4,-2.0 -4,-0.3 5,-0.1 -0.645 74.6-147.8 -76.4 126.1 8.6 31.8 23.6 13 163 A E H > S+ 0 0 98 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.863 102.2 54.9 -59.4 -38.5 8.6 34.3 20.8 14 164 A E H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 106.4 50.1 -64.7 -38.3 7.5 37.0 23.3 15 165 A A H > S+ 0 0 25 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.894 111.4 49.8 -65.1 -38.0 10.5 36.2 25.5 16 166 A R H < S+ 0 0 5 -4,-2.0 25,-0.5 1,-0.2 3,-0.4 0.907 108.7 52.1 -66.2 -43.4 12.7 36.5 22.4 17 167 A L H >< S+ 0 0 40 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.932 105.5 54.7 -58.9 -45.0 11.2 39.8 21.5 18 168 A K H >< S+ 0 0 140 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.815 93.2 71.3 -59.2 -29.3 11.8 41.2 25.0 19 169 A S T 3< S+ 0 0 34 -4,-1.1 3,-0.5 -3,-0.4 -1,-0.3 0.679 86.9 67.6 -62.2 -18.4 15.5 40.3 24.7 20 170 A F T X + 0 0 11 -3,-1.9 3,-1.9 -4,-0.4 -1,-0.3 0.243 61.3 114.4 -87.9 12.0 15.9 43.1 22.2 21 171 A Q T < S+ 0 0 179 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.854 90.0 29.4 -45.8 -41.5 15.3 45.9 24.7 22 172 A N T 3 S+ 0 0 134 -3,-0.5 -1,-0.3 19,-0.0 -2,-0.1 -0.006 82.6 149.1-115.2 26.2 18.8 47.2 24.3 23 173 A W < - 0 0 25 -3,-1.9 23,-0.1 1,-0.1 -3,-0.1 -0.361 58.1 -99.7 -52.6 132.7 19.4 46.1 20.7 24 174 A P > - 0 0 25 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.246 17.7-122.9 -72.2 156.8 21.8 48.7 19.3 25 175 A D T 3 S+ 0 0 170 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.695 109.6 54.7 -68.6 -21.1 20.6 51.6 17.2 26 176 A Y T 3 S+ 0 0 152 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 0.587 81.7 100.8 -85.0 -9.5 22.9 50.7 14.3 27 177 A A < - 0 0 13 -3,-1.5 -4,-0.0 1,-0.2 18,-0.0 -0.617 57.7-166.4 -85.3 112.6 21.5 47.2 14.0 28 178 A H + 0 0 95 -2,-0.7 -1,-0.2 32,-0.1 2,-0.1 0.793 55.4 89.8 -81.5 -24.5 19.1 47.4 11.1 29 179 A L S S- 0 0 3 1,-0.1 36,-0.1 2,-0.0 31,-0.0 -0.405 79.9-116.3 -71.1 146.4 17.0 44.2 11.4 30 180 A T > - 0 0 74 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.586 9.3-127.2 -82.2 144.8 13.9 44.5 13.6 31 181 A P H > S+ 0 0 38 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.890 111.4 60.5 -50.3 -39.1 13.4 42.5 16.8 32 182 A R H > S+ 0 0 176 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.941 108.3 40.5 -55.6 -52.6 10.1 41.4 15.3 33 183 A E H > S+ 0 0 46 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.919 117.5 48.4 -64.9 -43.1 11.8 39.8 12.3 34 184 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-0.5 0.947 112.0 47.4 -66.5 -47.8 14.6 38.3 14.3 35 185 A A H ><5S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.880 107.9 56.8 -61.4 -37.7 12.4 36.8 17.1 36 186 A S H 3<5S+ 0 0 47 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.814 103.8 54.1 -62.5 -32.7 10.1 35.3 14.5 37 187 A A T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.261 128.5 -98.0 -84.3 11.7 13.1 33.5 13.0 38 188 A G T < 5S+ 0 0 0 -3,-1.7 13,-2.2 1,-0.3 2,-0.3 0.534 81.5 133.1 91.9 2.2 13.8 32.0 16.4 39 189 A L E < -A 50 0A 0 -5,-2.4 2,-0.3 11,-0.2 -1,-0.3 -0.707 30.9-176.6-101.5 144.1 16.5 34.5 17.3 40 190 A Y E -A 49 0A 20 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.930 34.8 -95.3-133.4 159.3 17.1 36.4 20.5 41 191 A Y E -A 48 0A 26 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.580 19.2-161.2 -81.3 132.3 19.6 39.0 21.6 42 192 A T - 0 0 38 5,-2.0 -1,-0.1 -2,-0.3 6,-0.1 0.527 43.9-114.9 -84.8 -9.5 22.7 37.8 23.4 43 193 A G S S+ 0 0 53 4,-0.5 2,-0.5 1,-0.2 5,-0.1 0.465 84.8 103.6 88.8 3.1 23.5 41.3 24.7 44 194 A I S > S- 0 0 108 3,-0.4 3,-2.4 0, 0.0 -2,-0.2 -0.979 92.2 -54.8-123.0 124.7 26.7 41.7 22.8 45 195 A G T 3 S- 0 0 34 -2,-0.5 -2,-0.1 1,-0.3 -18,-0.1 -0.184 107.8 -37.5 51.6-134.9 27.0 43.8 19.6 46 196 A D T 3 S+ 0 0 14 -23,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.067 99.6 139.0-106.2 29.8 24.5 42.7 17.0 47 197 A Q < + 0 0 28 -3,-2.4 -5,-2.0 11,-0.1 -4,-0.5 -0.603 26.5 177.8 -86.0 128.7 24.9 39.1 18.0 48 198 A V E -AB 41 57A 0 9,-2.5 9,-2.2 -2,-0.3 2,-0.3 -0.877 12.6-150.6-124.0 162.3 21.8 36.9 18.2 49 199 A Q E -AB 40 56A 28 -9,-2.5 -9,-2.5 -2,-0.3 2,-0.4 -0.976 18.0-119.2-136.1 146.2 21.3 33.3 19.0 50 200 A C E > -A 39 0A 0 5,-2.6 4,-1.2 -2,-0.3 -11,-0.2 -0.718 13.1-148.0 -83.2 129.9 18.7 30.7 18.0 51 201 A F T 4 S+ 0 0 5 -13,-2.2 -44,-3.1 -2,-0.4 -45,-0.2 0.766 95.6 42.5 -64.1 -26.0 16.7 29.2 20.9 52 202 A A T 4 S+ 0 0 4 -14,-0.3 -46,-1.9 -47,-0.3 -48,-0.1 0.959 128.6 17.8 -88.5 -67.1 16.5 25.9 19.1 53 203 A C T 4 S- 0 0 47 -48,-0.2 -2,-0.1 -47,-0.1 3,-0.1 0.661 91.6-130.0 -85.1 -17.7 19.8 25.1 17.4 54 204 A G < + 0 0 15 -4,-1.2 -3,-0.1 1,-0.3 -1,-0.0 0.428 52.9 151.6 79.7 0.6 21.9 27.4 19.5 55 205 A G - 0 0 12 -6,-0.1 -5,-2.6 19,-0.1 2,-0.4 -0.322 33.5-146.0 -65.4 148.5 23.6 28.9 16.5 56 206 A K E -B 49 0A 72 32,-0.4 32,-1.7 -7,-0.2 2,-0.4 -0.945 12.1-167.6-120.1 141.1 24.8 32.5 16.8 57 207 A L E +BC 48 87A 0 -9,-2.2 -9,-2.5 -2,-0.4 2,-0.3 -0.973 12.0 163.7-129.0 140.8 24.9 35.2 14.1 58 208 A K E + C 0 86A 76 28,-2.3 28,-2.5 -2,-0.4 -11,-0.1 -0.873 46.7 49.7-145.3 173.5 26.5 38.6 14.0 59 209 A N - 0 0 83 -2,-0.3 -1,-0.1 26,-0.2 -12,-0.1 0.945 68.9-160.1 57.4 54.5 27.6 41.3 11.6 60 210 A W - 0 0 19 -14,-0.2 -1,-0.1 25,-0.1 -32,-0.1 -0.362 4.5-154.4 -59.3 144.3 24.3 41.6 9.8 61 211 A E > - 0 0 119 1,-0.1 3,-2.2 4,-0.0 -1,-0.0 -0.835 29.3 -82.5-124.8 158.4 24.5 43.3 6.4 62 212 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.313 118.2 28.8 -61.1 136.4 22.0 45.2 4.3 63 213 A G T 3 S+ 0 0 65 1,-0.4 2,-0.1 -3,-0.0 -3,-0.0 0.173 89.1 130.7 98.4 -21.7 19.8 42.8 2.4 64 214 A D < - 0 0 18 -3,-2.2 -1,-0.4 4,-0.0 2,-0.4 -0.450 41.4-159.7 -61.5 138.2 20.2 40.1 5.0 65 215 A R > - 0 0 116 -2,-0.1 4,-2.4 1,-0.1 5,-0.3 -0.940 20.8-127.9-115.2 145.7 16.9 38.5 6.1 66 216 A A H > S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.947 105.5 43.8 -60.3 -48.6 16.7 36.7 9.5 67 217 A W H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 114.4 48.2 -65.5 -44.0 15.2 33.5 8.1 68 218 A S H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 114.3 46.7 -68.0 -37.2 17.4 33.2 5.1 69 219 A E H X S+ 0 0 11 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.919 112.8 49.9 -65.0 -43.0 20.6 33.8 7.2 70 220 A H H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.940 115.6 42.8 -61.0 -45.2 19.4 31.3 9.8 71 221 A R H < S+ 0 0 117 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.868 112.8 53.1 -71.4 -35.3 18.7 28.7 7.2 72 222 A R H < S+ 0 0 151 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.918 121.1 30.2 -64.9 -42.3 21.9 29.4 5.2 73 223 A H H < S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.831 134.2 27.1 -88.6 -32.1 24.2 29.0 8.2 74 224 A F >< + 0 0 34 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.2 -0.506 66.7 158.6-129.7 66.0 22.2 26.4 10.3 75 225 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 61,-0.1 0.697 71.8 56.9 -70.4 -16.9 20.2 24.4 7.8 76 226 A N T 3 S+ 0 0 51 59,-0.2 61,-0.4 -3,-0.1 2,-0.1 0.334 75.8 126.6 -98.1 11.6 19.7 21.4 10.1 77 227 A C <> - 0 0 3 -3,-1.8 4,-2.6 -7,-0.2 5,-0.2 -0.382 62.5-135.4 -68.1 137.5 18.1 23.5 12.9 78 228 A F H > S+ 0 0 34 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.815 105.8 52.8 -67.6 -27.0 14.8 22.0 14.0 79 229 A F H >> S+ 0 0 51 2,-0.2 3,-0.6 1,-0.2 4,-0.5 0.932 111.2 46.5 -72.4 -40.0 13.2 25.4 14.0 80 230 A V H >4 S+ 0 0 10 1,-0.2 3,-0.7 -6,-0.2 -2,-0.2 0.915 117.3 43.6 -59.1 -45.3 14.4 26.0 10.4 81 231 A L H 3< S+ 0 0 17 -4,-2.6 76,-2.5 1,-0.2 77,-0.2 0.500 112.5 52.6 -83.5 -5.8 13.2 22.6 9.4 82 232 A G H << 0 0 43 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.390 360.0 360.0-103.8 -6.7 9.8 22.9 11.2 83 233 A R << 0 0 161 -3,-0.7 -3,-0.0 -4,-0.5 -4,-0.0 -0.269 360.0 360.0 -65.4 360.0 8.9 26.2 9.7 84 !* 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 85 1 B S 0 0 5 0, 0.0 -26,-0.2 0, 0.0 -25,-0.1 0.000 360.0 360.0 360.0 170.3 25.7 37.8 8.6 86 2 B V E -C 58 0A 67 -28,-2.5 -28,-2.3 -13,-0.0 2,-0.1 -0.966 360.0-114.5-131.5 147.8 28.4 35.4 9.9 87 3 B P E C 57 0A 59 0, 0.0 -30,-0.2 0, 0.0 -32,-0.0 -0.419 360.0 360.0 -75.6 153.3 28.2 32.6 12.5 88 4 B I 0 0 122 -32,-1.7 -32,-0.4 -2,-0.1 0, 0.0 -0.903 360.0 360.0 -92.5 360.0 30.1 32.8 15.7 89 !* 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 90 159 C A 0 0 116 0, 0.0 3,-0.3 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -51.7 28.8 8.8 1.4 91 160 C M + 0 0 58 1,-0.2 41,-0.2 41,-0.1 6,-0.1 0.239 360.0 92.6 -90.9 10.5 25.9 8.5 3.9 92 161 C Y + 0 0 186 40,-0.1 2,-0.4 4,-0.1 -1,-0.2 0.858 69.4 81.3 -65.7 -36.6 23.6 8.4 0.8 93 162 C S S > S- 0 0 60 -3,-0.3 4,-1.7 1,-0.2 3,-0.2 -0.592 74.9-146.6 -72.3 125.7 23.8 4.6 0.8 94 163 C E H > S+ 0 0 92 -2,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.836 103.7 57.2 -55.4 -35.6 21.5 2.9 3.3 95 164 C E H > S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.877 105.2 48.4 -63.7 -38.7 24.3 0.3 3.6 96 165 C A H > S+ 0 0 28 -3,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.832 108.5 53.8 -73.2 -30.2 26.9 3.0 4.6 97 166 C R H >< S+ 0 0 8 -4,-1.7 3,-0.6 2,-0.2 25,-0.5 0.915 106.3 54.6 -70.1 -39.0 24.5 4.4 7.2 98 167 C L H >< S+ 0 0 23 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.929 103.2 54.5 -57.7 -46.3 24.2 0.9 8.6 99 168 C K H >< S+ 0 0 133 -4,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.779 94.7 68.7 -61.8 -26.5 27.9 0.6 9.0 100 169 C S T << S+ 0 0 27 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.734 82.6 78.0 -62.4 -19.7 27.9 3.9 11.1 101 170 C F T X + 0 0 14 -3,-2.0 3,-1.8 -4,-0.5 -1,-0.3 0.247 58.5 124.9 -84.3 18.8 26.2 1.9 13.8 102 171 C Q T < S+ 0 0 143 -3,-1.3 22,-0.1 1,-0.3 20,-0.0 -0.506 81.9 21.5 -62.4 137.2 29.3 0.2 14.9 103 172 C N T 3 S+ 0 0 148 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.481 84.3 156.7 78.0 5.7 29.4 1.1 18.6 104 173 C W < - 0 0 29 -3,-1.8 -1,-0.3 1,-0.1 23,-0.1 -0.397 52.3-105.5 -59.2 129.8 25.7 1.7 18.8 105 174 C P > - 0 0 32 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.316 14.8-131.2 -72.9 149.3 24.9 1.2 22.5 106 175 C D T 3 S+ 0 0 173 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.781 103.7 59.0 -68.4 -27.0 23.1 -1.9 23.6 107 176 C Y T 3 S+ 0 0 124 2,-0.0 -1,-0.3 0, 0.0 20,-0.0 0.742 76.7 121.0 -70.2 -25.5 20.6 -0.0 25.7 108 177 C A < - 0 0 16 -3,-1.1 34,-0.1 1,-0.1 -4,-0.0 -0.094 62.9-137.5 -56.9 143.6 19.3 2.0 22.8 109 178 C H S S+ 0 0 95 32,-0.3 35,-0.4 2,-0.0 2,-0.3 0.353 81.1 49.4 -92.0 5.3 15.6 1.6 22.1 110 179 C L S S- 0 0 9 33,-0.1 36,-0.1 31,-0.1 31,-0.1 -0.972 80.8-115.3-134.8 159.1 15.8 1.4 18.2 111 180 C T > - 0 0 77 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.543 20.5-117.7 -92.3 154.2 17.9 -0.7 15.9 112 181 C P H > S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.839 113.5 52.7 -50.3 -44.0 20.6 0.4 13.3 113 182 C R H > S+ 0 0 168 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.917 110.1 46.1 -67.6 -43.2 18.5 -1.0 10.4 114 183 C E H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.938 116.4 45.5 -59.9 -46.6 15.4 0.9 11.3 115 184 C L H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.4 0.935 113.3 49.3 -64.4 -47.7 17.3 4.1 11.8 116 185 C A H ><5S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.890 107.6 54.8 -63.9 -36.4 19.3 3.7 8.6 117 186 C S H 3<5S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.848 104.4 54.2 -65.3 -29.5 16.2 3.0 6.6 118 187 C A T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.208 129.2 -97.3 -88.5 11.1 14.7 6.3 7.9 119 188 C G T < 5S+ 0 0 0 -3,-1.6 13,-2.4 1,-0.3 2,-0.3 0.453 82.6 132.0 94.4 6.1 17.8 8.2 6.6 120 189 C L E < -D 131 0B 0 -5,-2.4 2,-0.3 11,-0.2 -1,-0.3 -0.695 32.3-175.1-102.9 140.5 19.6 8.3 9.9 121 190 C Y E -D 130 0B 45 9,-2.3 9,-2.1 -2,-0.3 2,-0.2 -0.918 34.2 -96.5-127.5 158.8 23.2 7.5 10.8 122 191 C Y E -D 129 0B 21 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.524 18.3-158.1 -79.4 136.9 25.0 7.3 14.1 123 192 C T - 0 0 46 5,-2.2 -1,-0.1 2,-0.3 6,-0.1 0.546 46.6-110.6 -88.1 -13.6 27.1 10.3 15.1 124 193 C G S S+ 0 0 49 4,-0.5 2,-0.4 1,-0.2 5,-0.1 0.337 86.8 93.2 102.0 -5.6 29.2 8.2 17.4 125 194 C I S > S- 0 0 110 3,-0.3 3,-2.3 -21,-0.0 -2,-0.3 -0.967 93.3 -41.2-123.4 137.1 27.9 9.6 20.8 126 195 C G T 3 S- 0 0 46 -2,-0.4 -2,-0.1 1,-0.3 -18,-0.1 -0.177 109.9 -43.5 57.0-135.3 25.1 8.4 23.0 127 196 C D T 3 S+ 0 0 4 -23,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.061 97.1 141.8-112.9 29.9 22.2 7.3 21.0 128 197 C Q < + 0 0 28 -3,-2.3 -5,-2.2 11,-0.1 -4,-0.5 -0.546 24.7 178.8 -80.8 135.9 22.4 10.3 18.7 129 198 C V E -DE 122 138B 0 9,-2.9 9,-2.5 -2,-0.3 2,-0.3 -0.842 12.2-152.7-130.1 164.3 21.7 10.0 15.0 130 199 C Q E -DE 121 137B 42 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.3 -0.995 20.8-114.7-139.6 145.7 21.6 12.4 12.1 131 200 C C E > -D 120 0B 1 5,-2.1 4,-1.4 -2,-0.3 -11,-0.2 -0.613 12.7-145.3 -85.4 136.2 19.8 12.5 8.8 132 201 C F T 4 S+ 0 0 48 -13,-2.4 -1,-0.1 -2,-0.3 -41,-0.1 0.696 98.5 39.4 -69.4 -20.2 21.9 12.3 5.6 133 202 C A T 4 S+ 0 0 46 -14,-0.2 -1,-0.1 3,-0.1 26,-0.1 0.877 131.1 18.2 -99.1 -53.5 19.5 14.6 3.8 134 203 C C T 4 S- 0 0 19 2,-0.1 -2,-0.2 -58,-0.1 3,-0.1 0.637 88.6-132.3 -96.2 -15.4 18.5 17.4 6.3 135 204 C G < + 0 0 13 -4,-1.4 -59,-0.2 1,-0.2 -3,-0.1 0.451 49.8 155.7 77.5 -1.7 21.2 17.0 8.8 136 205 C G - 0 0 0 -6,-0.1 -5,-2.1 -61,-0.1 2,-0.4 -0.307 33.6-139.3 -62.2 142.6 18.7 17.0 11.7 137 206 C K E -E 130 0B 94 -61,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.850 18.8-176.2-108.3 141.0 19.9 15.3 14.9 138 207 C L E +E 129 0B 0 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.3 -0.990 12.6 153.3-134.9 141.9 17.8 13.1 17.1 139 208 C K + 0 0 94 -137,-1.9 -11,-0.1 -2,-0.3 -13,-0.1 -0.921 43.4 58.7-155.2 179.7 18.7 11.5 20.4 140 209 C N - 0 0 88 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.925 67.6-166.1 53.9 50.0 17.3 10.2 23.7 141 210 C W - 0 0 6 -14,-0.2 -32,-0.3 -3,-0.1 -1,-0.2 -0.412 3.1-150.0 -63.8 138.3 15.0 7.7 22.0 142 211 C E > - 0 0 115 -2,-0.1 3,-2.3 1,-0.1 -1,-0.0 -0.790 31.5 -77.8-112.0 154.7 12.4 6.2 24.2 143 212 C P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.213 118.6 22.7 -49.9 134.6 10.7 2.7 24.1 144 213 C G T 3 S+ 0 0 76 -35,-0.4 2,-0.1 1,-0.3 -34,-0.0 0.276 88.3 136.1 89.0 -13.1 8.1 2.6 21.4 145 214 C D < - 0 0 34 -3,-2.3 2,-0.4 -36,-0.1 -1,-0.3 -0.416 43.9-147.1 -62.8 147.9 9.5 5.5 19.4 146 215 C R > - 0 0 120 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.949 11.5-134.4-115.3 139.9 9.7 4.9 15.6 147 216 C A H > S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.925 104.3 45.9 -57.0 -53.3 12.5 6.4 13.5 148 217 C W H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.906 110.8 53.0 -60.6 -42.2 10.3 7.7 10.7 149 218 C S H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 113.2 42.4 -61.2 -44.1 7.8 9.2 13.1 150 219 C E H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.919 113.0 53.2 -69.0 -41.5 10.3 11.2 15.0 151 220 C H H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.934 114.7 41.7 -57.7 -50.0 12.2 12.2 11.9 152 221 C R H < S+ 0 0 117 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.886 111.9 55.4 -67.2 -37.2 9.0 13.5 10.3 153 222 C R H < S+ 0 0 155 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.946 120.1 28.5 -61.5 -42.8 7.7 15.1 13.6 154 223 C H H < S+ 0 0 30 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.753 130.3 33.7 -94.4 -24.8 10.8 17.2 14.1 155 224 C F >< + 0 0 3 -4,-2.2 3,-1.9 -5,-0.3 -1,-0.2 -0.484 64.3 155.3-128.4 59.2 12.1 17.8 10.6 156 225 C P T 3 S+ 0 0 41 0, 0.0 -74,-0.2 0, 0.0 -1,-0.1 0.785 72.9 56.2 -64.2 -24.2 9.0 18.0 8.4 157 226 C N T 3 S+ 0 0 64 -76,-2.5 2,-0.1 -3,-0.1 -75,-0.1 0.382 76.0 123.0 -88.4 3.7 10.7 20.1 5.7 158 227 C C <> - 0 0 2 -3,-1.9 4,-2.7 -77,-0.2 5,-0.2 -0.457 65.3-135.9 -58.7 132.3 13.4 17.5 5.2 159 228 C F H > S+ 0 0 170 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.843 103.9 52.8 -63.2 -35.0 13.3 16.6 1.6 160 229 C F H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 110.8 47.0 -67.9 -45.4 13.6 12.9 2.4 161 230 C V H > S+ 0 0 0 -6,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.942 110.3 53.7 -55.9 -47.7 10.7 13.1 4.8 162 231 C L H < S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.872 111.5 45.4 -60.7 -36.5 8.7 15.0 2.2 163 232 C G H < S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.900 108.8 54.8 -72.3 -45.0 9.3 12.3 -0.4 164 233 C R H < 0 0 151 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.817 360.0 360.0 -54.5 -37.2 8.5 9.4 2.1 165 234 C N < 0 0 113 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.712 360.0 360.0 -69.9 360.0 5.1 11.2 2.7