==== 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 4J45 . 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) . 9294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 50.3 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 . 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 . 20 12.3 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 82 0, 0.0 138,-0.1 0, 0.0 149,-0.0 0.000 360.0 360.0 360.0-171.3 11.7 13.9 23.4 2 152 A T + 0 0 2 136,-0.1 137,-1.9 148,-0.0 2,-0.3 0.606 360.0 46.1 -90.7 -12.1 14.1 13.4 20.6 3 153 A I - 0 0 39 135,-0.2 135,-0.1 137,-0.1 49,-0.0 -0.837 65.6-170.0-120.4 159.5 15.0 17.1 20.0 4 154 A Y - 0 0 167 -2,-0.3 2,-0.1 48,-0.1 -2,-0.0 -0.939 23.4-118.8-152.7 127.0 15.8 19.6 22.7 5 155 A P - 0 0 16 0, 0.0 47,-0.3 0, 0.0 48,-0.2 -0.439 15.2-133.8 -67.2 142.1 16.2 23.4 22.4 6 156 A R S S+ 0 0 202 46,-1.8 46,-0.2 1,-0.2 45,-0.1 0.854 103.5 27.1 -59.9 -31.6 19.6 24.9 23.3 7 157 A N > + 0 0 43 44,-2.8 3,-1.3 1,-0.1 -1,-0.2 -0.832 65.9 179.2-135.8 87.2 17.7 27.6 25.3 8 158 A P G > S+ 0 0 60 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.870 81.5 63.7 -59.1 -30.4 14.2 26.5 26.7 9 159 A A G 3 S+ 0 0 73 1,-0.3 3,-0.5 2,-0.2 6,-0.1 0.748 103.3 49.6 -67.5 -23.3 13.6 29.8 28.3 10 160 A M G < S+ 0 0 33 -3,-1.3 -1,-0.3 1,-0.2 41,-0.2 0.220 76.2 106.6-101.7 15.7 13.6 31.4 24.9 11 161 A Y < + 0 0 155 -3,-1.9 2,-0.3 40,-0.1 -1,-0.2 0.851 66.4 78.7 -53.2 -39.7 11.3 28.9 23.6 12 162 A S S > S- 0 0 56 -3,-0.5 4,-2.1 -4,-0.3 5,-0.2 -0.612 74.4-144.9 -76.2 127.9 8.7 31.6 23.7 13 163 A E H > S+ 0 0 97 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.875 103.9 53.9 -57.9 -38.9 8.6 34.3 20.9 14 164 A E H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 107.2 50.2 -65.0 -36.5 7.5 36.9 23.4 15 165 A A H > S+ 0 0 24 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.885 112.1 48.7 -68.0 -37.7 10.5 36.0 25.6 16 166 A R H < S+ 0 0 5 -4,-2.1 25,-0.5 2,-0.2 3,-0.5 0.901 108.9 52.6 -66.9 -42.8 12.7 36.4 22.5 17 167 A L H >< S+ 0 0 47 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.933 105.2 54.8 -60.9 -43.1 11.1 39.7 21.6 18 168 A K H >< S+ 0 0 139 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.805 92.9 71.7 -59.4 -28.4 11.8 41.1 25.1 19 169 A S T 3< S+ 0 0 34 -4,-1.0 3,-0.5 -3,-0.5 -1,-0.3 0.686 86.2 68.5 -63.6 -16.5 15.5 40.3 24.8 20 170 A F T X + 0 0 11 -3,-1.8 3,-1.8 -4,-0.4 -1,-0.3 0.265 60.7 113.5 -89.5 11.6 15.8 43.1 22.3 21 171 A Q T < S+ 0 0 183 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.873 90.7 29.5 -43.6 -45.5 15.2 45.9 24.8 22 172 A N T 3 S+ 0 0 136 -3,-0.5 -1,-0.3 19,-0.0 -2,-0.1 0.018 82.4 148.6-112.5 25.5 18.8 47.2 24.4 23 173 A W < - 0 0 25 -3,-1.8 23,-0.1 1,-0.1 -3,-0.1 -0.384 57.8-101.5 -53.3 133.0 19.3 46.1 20.7 24 174 A P > - 0 0 27 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.237 17.1-123.3 -71.9 155.3 21.7 48.7 19.3 25 175 A D T 3 S+ 0 0 169 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.667 108.8 57.3 -71.4 -17.6 20.6 51.6 17.2 26 176 A Y T 3 S+ 0 0 152 2,-0.0 2,-0.8 1,-0.0 -1,-0.3 0.595 81.4 100.2 -82.3 -11.6 22.9 50.7 14.3 27 177 A A < - 0 0 14 -3,-1.5 -4,-0.0 1,-0.2 18,-0.0 -0.610 57.0-168.0 -83.3 112.6 21.4 47.2 14.1 28 178 A H + 0 0 96 -2,-0.8 -1,-0.2 32,-0.1 2,-0.1 0.744 55.0 90.6 -81.4 -23.9 19.0 47.4 11.2 29 179 A L S S- 0 0 3 1,-0.1 36,-0.1 2,-0.0 31,-0.0 -0.464 79.7-117.2 -71.6 144.7 17.0 44.2 11.5 30 180 A T > - 0 0 75 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.546 8.4-127.0 -80.8 144.3 13.9 44.5 13.6 31 181 A P H > S+ 0 0 38 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.877 111.5 59.8 -49.0 -40.8 13.4 42.5 16.8 32 182 A R H > S+ 0 0 182 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.947 108.8 41.1 -54.3 -51.3 10.0 41.4 15.3 33 183 A E H > S+ 0 0 48 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.931 117.3 47.5 -65.8 -44.1 11.7 39.7 12.3 34 184 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 3,-0.4 0.933 112.0 48.3 -66.2 -49.4 14.6 38.2 14.4 35 185 A A H ><5S+ 0 0 0 -4,-3.1 3,-1.8 1,-0.2 -1,-0.2 0.878 108.2 56.3 -58.5 -36.9 12.4 36.8 17.2 36 186 A S H 3<5S+ 0 0 48 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.827 103.9 53.6 -66.0 -31.3 10.1 35.3 14.5 37 187 A A T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.281 128.5 -97.7 -85.5 15.0 13.0 33.4 13.0 38 188 A G T < 5S+ 0 0 0 -3,-1.8 13,-2.3 1,-0.3 2,-0.3 0.501 81.4 132.6 90.0 3.8 13.9 31.9 16.4 39 189 A L E < -A 50 0A 1 -5,-2.3 2,-0.3 11,-0.2 -1,-0.3 -0.698 31.4-175.8-102.8 145.0 16.6 34.4 17.4 40 190 A Y E -A 49 0A 23 9,-2.5 9,-2.4 -2,-0.3 2,-0.3 -0.910 35.5 -94.9-132.8 158.8 17.1 36.3 20.6 41 191 A Y E -A 48 0A 26 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.576 20.3-159.9 -81.3 130.0 19.7 39.0 21.6 42 192 A T - 0 0 38 5,-2.2 -1,-0.1 -2,-0.3 6,-0.1 0.524 42.3-115.9 -83.2 -7.3 22.8 37.8 23.4 43 193 A G S S+ 0 0 53 4,-0.4 2,-0.5 1,-0.2 5,-0.1 0.422 85.2 103.8 87.4 -1.2 23.5 41.3 24.8 44 194 A I S > S- 0 0 112 3,-0.4 3,-2.4 -21,-0.0 -2,-0.2 -0.966 92.6 -55.1-119.7 119.7 26.8 41.6 22.8 45 195 A G T 3 S- 0 0 36 -2,-0.5 -2,-0.1 1,-0.3 -18,-0.1 -0.226 106.9 -37.8 57.8-137.9 27.1 43.8 19.7 46 196 A D T 3 S+ 0 0 12 -23,-0.1 2,-0.5 2,-0.1 -1,-0.3 -0.082 100.2 138.0-105.5 29.4 24.5 42.8 17.0 47 197 A Q < + 0 0 20 -3,-2.4 -5,-2.2 11,-0.1 -3,-0.4 -0.660 27.4 177.9 -85.4 123.9 24.9 39.1 18.0 48 198 A V E -AB 41 57A 0 9,-2.8 9,-2.4 -2,-0.5 2,-0.3 -0.797 11.9-151.3-117.3 166.7 21.8 37.0 18.2 49 199 A Q E -AB 40 56A 34 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.4 -0.983 18.2-116.6-140.2 147.7 21.3 33.3 19.0 50 200 A C E > -A 39 0A 0 5,-2.6 4,-1.1 -2,-0.3 -11,-0.2 -0.712 12.8-148.8 -85.0 128.1 18.8 30.6 18.0 51 201 A F T 4 S+ 0 0 5 -13,-2.3 -44,-2.8 -2,-0.4 -45,-0.2 0.757 95.6 42.7 -62.5 -27.1 16.8 29.2 21.0 52 202 A A T 4 S+ 0 0 4 -14,-0.3 -46,-1.8 -47,-0.3 -48,-0.1 0.959 129.2 16.6 -86.7 -65.8 16.5 25.8 19.1 53 203 A C T 4 S- 0 0 44 -48,-0.2 -2,-0.1 -47,-0.1 -1,-0.0 0.693 91.8-129.7 -88.5 -16.4 19.9 25.0 17.4 54 204 A G < + 0 0 14 -4,-1.1 -3,-0.1 1,-0.3 -1,-0.0 0.436 52.8 152.6 77.6 3.3 22.0 27.5 19.5 55 205 A G - 0 0 12 -6,-0.1 -5,-2.6 19,-0.1 2,-0.4 -0.323 33.6-143.1 -62.8 149.2 23.6 29.0 16.4 56 206 A K E -B 49 0A 70 32,-0.4 32,-2.0 -7,-0.2 2,-0.4 -0.907 13.5-168.0-120.9 143.7 24.8 32.6 16.6 57 207 A L E +BC 48 87A 0 -9,-2.4 -9,-2.8 -2,-0.4 2,-0.2 -0.995 15.0 156.0-132.1 136.7 24.7 35.3 14.0 58 208 A K E + C 0 86A 73 28,-2.1 28,-2.6 -2,-0.4 -11,-0.1 -0.836 45.9 51.3-150.3 175.6 26.4 38.7 14.0 59 209 A N S S- 0 0 91 -2,-0.2 -1,-0.2 26,-0.2 2,-0.1 0.946 71.6-159.3 52.7 57.0 27.6 41.5 11.7 60 210 A W - 0 0 22 -14,-0.2 -1,-0.1 25,-0.2 -32,-0.1 -0.388 3.1-150.1 -64.8 147.6 24.4 41.7 9.8 61 211 A E > - 0 0 116 1,-0.1 3,-2.4 -2,-0.1 -1,-0.0 -0.828 28.7 -82.3-122.2 158.1 24.5 43.3 6.3 62 212 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.238 118.1 24.5 -64.1 139.1 22.1 45.3 4.2 63 213 A G T 3 S+ 0 0 67 1,-0.3 2,-0.1 -3,-0.0 -3,-0.0 0.307 90.0 135.4 90.2 -13.7 19.7 43.0 2.4 64 214 A D < - 0 0 16 -3,-2.4 2,-0.4 4,-0.0 -1,-0.3 -0.473 40.0-157.8 -63.1 138.6 20.2 40.2 5.0 65 215 A R > - 0 0 117 1,-0.1 4,-2.4 -2,-0.1 5,-0.3 -0.944 19.0-128.5-114.5 147.0 16.9 38.6 6.1 66 216 A A H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.957 104.8 44.0 -61.1 -48.3 16.7 36.7 9.5 67 217 A W H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 114.3 48.2 -65.9 -44.2 15.2 33.5 8.2 68 218 A S H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 113.8 47.1 -68.6 -37.0 17.5 33.1 5.1 69 219 A E H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.910 113.5 49.4 -64.8 -39.4 20.7 33.8 7.2 70 220 A H H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.952 115.2 42.7 -61.8 -47.4 19.5 31.4 9.8 71 221 A R H < S+ 0 0 116 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.865 112.6 54.4 -70.5 -34.1 18.8 28.7 7.2 72 222 A R H < S+ 0 0 150 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.924 120.5 29.5 -66.3 -44.4 22.1 29.4 5.3 73 223 A H H < S+ 0 0 48 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.813 134.7 27.2 -83.9 -33.0 24.2 29.0 8.3 74 224 A F >< + 0 0 36 -4,-2.5 3,-1.9 -5,-0.3 6,-0.2 -0.456 65.7 158.0-131.4 66.4 22.3 26.4 10.3 75 225 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 61,-0.1 0.672 71.5 57.8 -71.6 -17.8 20.2 24.5 7.8 76 226 A N T 3 S+ 0 0 54 59,-0.2 61,-0.4 -3,-0.1 2,-0.1 0.310 74.6 127.7 -96.0 11.9 19.7 21.5 10.1 77 227 A C <> - 0 0 2 -3,-1.9 4,-2.6 -7,-0.2 5,-0.2 -0.392 61.8-136.2 -66.2 132.4 18.1 23.5 12.9 78 228 A F H > S+ 0 0 33 2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.845 106.5 53.2 -63.7 -25.8 14.7 21.9 14.0 79 229 A F H >> S+ 0 0 52 2,-0.2 3,-0.8 1,-0.2 4,-0.5 0.949 111.1 45.7 -73.1 -42.7 13.2 25.4 14.0 80 230 A V H >4 S+ 0 0 11 1,-0.2 3,-0.7 -6,-0.2 -2,-0.2 0.894 116.7 45.1 -56.2 -46.3 14.4 26.0 10.4 81 231 A L H 3< S+ 0 0 17 -4,-2.6 76,-2.6 1,-0.2 -1,-0.2 0.455 112.0 51.8 -82.1 -5.3 13.1 22.6 9.4 82 232 A G H << 0 0 43 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.362 360.0 360.0-105.1 -5.2 9.8 22.9 11.2 83 233 A R << 0 0 161 -3,-0.7 -3,-0.1 -4,-0.5 -46,-0.0 -0.208 360.0 360.0 -64.5 360.0 8.9 26.3 9.6 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 A 0 0 5 0, 0.0 2,-0.3 0, 0.0 -26,-0.2 0.000 360.0 360.0 360.0 167.9 25.6 37.8 8.6 86 2 B T E -C 58 0A 63 -28,-2.6 -28,-2.1 -13,-0.0 2,-0.4 -0.883 360.0-111.9-113.7 144.1 28.5 35.7 9.9 87 3 B A E C 57 0A 54 -2,-0.3 -30,-0.2 -30,-0.2 -32,-0.0 -0.600 360.0 360.0 -78.8 127.0 28.2 32.6 12.1 88 4 B A 0 0 72 -32,-2.0 -32,-0.4 -2,-0.4 -1,-0.1 -0.261 360.0 360.0-107.4 360.0 29.6 33.7 15.5 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 0 118 0, 0.0 3,-0.3 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -57.7 28.9 9.0 1.5 91 160 C M + 0 0 55 1,-0.2 41,-0.2 41,-0.1 6,-0.1 0.205 360.0 94.8 -94.7 13.1 25.9 8.5 3.8 92 161 C Y + 0 0 188 40,-0.1 2,-0.4 4,-0.1 -1,-0.2 0.837 68.7 81.8 -68.2 -34.3 23.6 8.4 0.8 93 162 C S S > S- 0 0 61 -3,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.620 74.8-146.7 -73.7 122.8 23.8 4.6 0.8 94 163 C E H > S+ 0 0 87 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.823 103.8 56.4 -52.7 -35.3 21.5 2.9 3.3 95 164 C E H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 105.6 49.2 -66.8 -35.0 24.3 0.3 3.6 96 165 C A H > S+ 0 0 28 -3,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.846 108.2 53.6 -74.7 -31.8 26.9 3.0 4.6 97 166 C R H < S+ 0 0 8 -4,-1.8 25,-0.5 2,-0.2 3,-0.5 0.905 107.6 52.8 -66.6 -38.1 24.4 4.4 7.2 98 167 C L H >< S+ 0 0 22 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.928 103.5 55.7 -62.8 -45.9 24.2 0.8 8.6 99 168 C K H >< S+ 0 0 133 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.793 95.3 67.6 -58.0 -28.0 28.0 0.6 8.9 100 169 C S T 3< S+ 0 0 26 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.718 82.0 78.7 -64.7 -18.3 28.0 3.7 11.0 101 170 C F T X + 0 0 15 -3,-2.0 3,-1.9 -4,-0.4 -1,-0.3 0.243 57.6 125.5 -83.1 20.2 26.2 1.8 13.8 102 171 C Q T < S+ 0 0 147 -3,-1.2 22,-0.1 1,-0.3 -3,-0.0 -0.489 82.2 22.0 -65.3 139.8 29.4 0.1 15.0 103 172 C N T 3 S+ 0 0 148 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.449 84.1 156.2 75.8 4.7 29.5 1.0 18.6 104 173 C W < - 0 0 31 -3,-1.9 -1,-0.2 1,-0.1 23,-0.1 -0.357 52.7-105.8 -57.2 130.0 25.6 1.6 18.8 105 174 C P > - 0 0 32 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.382 15.2-131.5 -74.2 148.7 24.9 1.1 22.5 106 175 C D T 3 S+ 0 0 173 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.769 103.6 59.3 -68.0 -25.7 23.1 -2.1 23.6 107 176 C Y T 3 S+ 0 0 127 2,-0.0 -1,-0.3 0, 0.0 20,-0.0 0.770 77.0 122.3 -70.1 -24.8 20.6 -0.2 25.7 108 177 C A < - 0 0 17 -3,-1.1 34,-0.1 1,-0.1 -4,-0.0 -0.044 63.4-136.4 -56.2 142.1 19.3 1.8 22.8 109 178 C H S S+ 0 0 94 32,-0.3 35,-0.4 2,-0.0 2,-0.3 0.348 81.1 46.5 -88.3 7.8 15.6 1.5 22.1 110 179 C L S S- 0 0 10 33,-0.1 36,-0.1 31,-0.1 31,-0.1 -0.971 81.1-111.8-141.3 159.9 15.8 1.1 18.2 111 180 C T > - 0 0 77 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.524 21.7-117.6 -93.1 154.6 17.9 -0.9 15.8 112 181 C P H > S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.845 114.5 52.8 -52.9 -38.4 20.6 0.3 13.3 113 182 C R H > S+ 0 0 169 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.921 108.7 46.8 -71.0 -44.0 18.5 -1.1 10.4 114 183 C E H > S+ 0 0 78 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.942 116.6 45.8 -57.9 -46.2 15.3 0.8 11.3 115 184 C L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.4 0.940 112.6 48.2 -64.2 -46.2 17.3 4.0 11.8 116 185 C A H ><5S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.878 107.9 56.4 -67.4 -33.8 19.3 3.7 8.6 117 186 C S H 3<5S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.855 104.1 53.7 -65.2 -29.2 16.1 3.0 6.6 118 187 C A T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.230 129.0 -97.8 -89.1 10.2 14.7 6.2 7.9 119 188 C G T < 5S+ 0 0 0 -3,-1.6 13,-2.4 1,-0.3 2,-0.3 0.437 82.8 131.8 95.0 5.3 17.8 8.1 6.6 120 189 C L E < -D 131 0B 0 -5,-2.5 2,-0.3 11,-0.2 -1,-0.3 -0.697 32.5-175.5-103.5 143.4 19.6 8.2 9.9 121 190 C Y E -D 130 0B 44 9,-2.3 9,-2.2 -2,-0.3 2,-0.2 -0.914 34.2 -95.6-130.5 159.3 23.1 7.4 10.8 122 191 C Y E -D 129 0B 22 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.498 19.0-159.3 -78.8 136.9 25.0 7.2 14.1 123 192 C T - 0 0 45 5,-2.3 -1,-0.1 2,-0.3 6,-0.1 0.561 47.4-109.8 -88.3 -14.7 27.1 10.3 15.1 124 193 C G S S+ 0 0 48 4,-0.5 2,-0.4 1,-0.2 5,-0.1 0.331 86.5 90.1 105.3 -5.2 29.2 8.2 17.4 125 194 C I S > S- 0 0 111 3,-0.3 3,-2.3 -21,-0.0 -2,-0.3 -0.970 93.0 -36.6-125.9 140.8 27.9 9.4 20.8 126 195 C G T 3 S- 0 0 48 -2,-0.4 -2,-0.1 1,-0.3 -18,-0.1 -0.206 109.7 -46.6 57.2-136.5 25.1 8.3 23.1 127 196 C D T 3 S+ 0 0 4 -23,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.063 96.9 141.5-113.1 29.3 22.2 7.2 21.0 128 197 C Q < + 0 0 30 -3,-2.3 -5,-2.3 11,-0.1 -4,-0.5 -0.566 25.1 179.4 -81.9 136.0 22.4 10.3 18.8 129 198 C V E -DE 122 138B 0 9,-2.9 9,-2.5 -2,-0.3 2,-0.3 -0.836 12.0-151.7-131.7 161.5 21.7 9.9 15.0 130 199 C Q E -DE 121 137B 42 -9,-2.2 -9,-2.3 -2,-0.3 2,-0.3 -0.997 20.2-114.7-136.0 145.6 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 -0.600 12.4-146.5 -83.6 132.5 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 0.686 98.1 39.5 -66.6 -20.6 21.9 12.2 5.6 133 202 C A T 4 S+ 0 0 47 -14,-0.2 -1,-0.1 3,-0.1 26,-0.0 0.875 131.0 18.4 -97.6 -52.2 19.4 14.6 3.8 134 203 C C T 4 S- 0 0 18 2,-0.1 -2,-0.1 -58,-0.1 3,-0.1 0.657 88.4-131.3 -95.4 -14.0 18.4 17.3 6.3 135 204 C G < + 0 0 15 -4,-1.4 -59,-0.2 1,-0.2 -3,-0.1 0.419 50.4 155.6 76.3 -2.5 21.2 17.0 8.9 136 205 C G - 0 0 0 -6,-0.1 -5,-2.1 -61,-0.1 2,-0.4 -0.309 33.6-140.4 -59.1 138.1 18.7 16.9 11.7 137 206 C K E -E 130 0B 97 -61,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.842 18.1-175.6-106.3 139.9 19.9 15.2 14.9 138 207 C L E +E 129 0B 0 -9,-2.5 -9,-2.9 -2,-0.4 2,-0.3 -0.995 12.8 153.9-132.0 143.0 17.8 13.0 17.2 139 208 C K + 0 0 94 -137,-1.9 -11,-0.1 -2,-0.4 -13,-0.1 -0.884 43.8 57.2-155.0 177.3 18.7 11.4 20.5 140 209 C N - 0 0 87 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.927 68.1-165.9 58.6 48.5 17.3 10.1 23.8 141 210 C W - 0 0 6 -14,-0.2 -32,-0.3 -3,-0.1 -1,-0.2 -0.414 3.2-149.3 -64.1 141.7 15.0 7.6 22.0 142 211 C E > - 0 0 111 -2,-0.1 3,-2.3 1,-0.1 -1,-0.1 -0.783 30.9 -79.7-114.4 156.4 12.3 6.1 24.3 143 212 C P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.259 118.0 23.7 -53.3 134.9 10.7 2.7 24.2 144 213 C G T 3 S+ 0 0 75 -35,-0.4 2,-0.1 1,-0.3 -34,-0.0 0.240 87.9 134.7 93.4 -13.8 8.0 2.6 21.5 145 214 C D < - 0 0 41 -3,-2.3 2,-0.4 -36,-0.1 -1,-0.3 -0.430 44.6-147.1 -65.1 147.4 9.5 5.4 19.4 146 215 C R > - 0 0 184 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.945 12.9-132.8-115.1 139.5 9.6 4.8 15.6 147 216 C A H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.919 105.2 45.2 -55.6 -51.9 12.5 6.3 13.5 148 217 C W H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.916 109.9 53.9 -63.3 -44.3 10.3 7.6 10.8 149 218 C S H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 113.3 42.2 -57.7 -44.8 7.7 9.1 13.1 150 219 C E H X S+ 0 0 19 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.891 112.9 53.3 -69.2 -43.2 10.3 11.1 15.0 151 220 C H H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.947 114.4 41.7 -55.2 -50.5 12.1 12.2 11.9 152 221 C R H < S+ 0 0 119 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.892 112.5 56.2 -68.6 -34.5 8.9 13.5 10.3 153 222 C R H < S+ 0 0 155 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.941 119.2 27.8 -59.5 -45.7 7.8 15.1 13.6 154 223 C H H < S+ 0 0 28 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.719 130.2 34.2 -93.2 -26.4 10.8 17.2 14.1 155 224 C F >< + 0 0 5 -4,-2.2 3,-2.0 -5,-0.3 6,-0.2 -0.469 63.9 156.7-129.7 64.0 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 0.752 72.8 56.0 -64.8 -27.0 9.0 18.1 8.5 157 226 C N T 3 S+ 0 0 65 -76,-2.6 2,-0.2 -3,-0.1 -75,-0.1 0.317 75.7 124.2 -88.1 4.3 10.6 20.1 5.8 158 227 C C <> - 0 0 2 -3,-2.0 4,-2.7 -77,-0.2 5,-0.2 -0.480 64.4-135.9 -56.0 132.4 13.4 17.5 5.2 159 228 C F H > S+ 0 0 173 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.832 104.7 52.3 -61.6 -37.0 13.3 16.5 1.6 160 229 C F H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 111.3 47.0 -66.5 -42.9 13.6 12.8 2.4 161 230 C V H > S+ 0 0 0 -6,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.938 110.1 53.8 -60.3 -45.6 10.6 13.1 4.8 162 231 C L H < S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 111.3 45.7 -64.0 -36.2 8.6 15.0 2.2 163 232 C G H < S+ 0 0 66 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.898 109.4 53.3 -70.8 -45.0 9.2 12.2 -0.3 164 233 C R H < 0 0 148 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.831 360.0 360.0 -55.1 -37.8 8.4 9.4 2.1 165 234 C N < 0 0 112 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.735 360.0 360.0 -66.0 360.0 5.1 11.2 2.9