==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JAN-08 3C4H . COMPND 2 MOLECULE: POLY(ADP-RIBOSE) POLYMERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.LEHTIO,R.COLLINS,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA,R.BUS . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 16.0 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 . 2 0.6 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 . 26 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 3 0 0 0 1 3 2 0 0 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 PARALLEL BRIDGES PER LADDER . 2 0 4 1 2 0 0 2 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 . 2 1 1 0 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 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 1 176 A S 0 0 158 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-142.5 23.7 40.6 22.6 2 177 A M - 0 0 177 1,-0.1 2,-0.2 133,-0.0 132,-0.0 -0.547 360.0-143.5 -76.6 112.9 20.7 38.3 23.0 3 178 A K - 0 0 73 -2,-0.6 2,-0.3 1,-0.1 132,-0.2 -0.504 18.5-119.1 -70.2 140.3 19.9 36.2 20.0 4 179 A R E -a 135 0A 159 130,-1.7 132,-3.0 -2,-0.2 2,-0.6 -0.653 15.4-142.8 -79.3 135.7 16.2 35.5 19.2 5 180 A V E -a 136 0A 87 -2,-0.3 133,-0.1 130,-0.2 3,-0.1 -0.903 21.9-136.3 -97.4 120.3 15.0 31.9 19.2 6 181 A Q - 0 0 81 130,-3.1 132,-0.3 -2,-0.6 3,-0.1 -0.455 28.7 -92.1 -78.9 147.0 12.4 31.5 16.4 7 182 A P - 0 0 117 0, 0.0 131,-0.4 0, 0.0 2,-0.3 -0.167 48.5 -97.2 -55.5 151.5 9.2 29.6 17.1 8 183 A C - 0 0 33 1,-0.1 7,-0.0 129,-0.1 -3,-0.0 -0.547 25.9-162.6 -72.8 133.1 9.2 25.8 16.2 9 184 A S + 0 0 96 -2,-0.3 2,-0.2 129,-0.1 -1,-0.1 0.543 58.5 102.9 -86.3 -10.7 7.7 24.9 12.8 10 185 A L S S- 0 0 22 1,-0.1 -2,-0.1 2,-0.1 131,-0.1 -0.490 72.5-118.4 -87.8 145.0 7.3 21.2 13.7 11 186 A D > - 0 0 51 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.327 37.8-101.9 -70.3 159.6 4.1 19.4 14.7 12 187 A P H > S+ 0 0 107 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.842 119.9 50.6 -54.7 -43.8 4.0 17.8 18.2 13 188 A A H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.933 112.6 45.8 -62.7 -47.0 4.6 14.2 17.0 14 189 A T H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 110.7 54.3 -65.0 -38.8 7.7 15.2 15.0 15 190 A Q H X S+ 0 0 61 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.902 109.5 48.1 -56.0 -43.5 9.0 17.4 17.9 16 191 A K H X S+ 0 0 51 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.932 111.6 49.3 -65.5 -47.0 8.7 14.3 20.1 17 192 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 112.3 47.8 -53.6 -49.2 10.5 12.1 17.6 18 193 A I H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.888 112.7 48.7 -65.9 -38.7 13.3 14.7 17.2 19 194 A T H < S+ 0 0 72 -4,-2.4 4,-0.4 -5,-0.2 3,-0.4 0.936 113.3 48.8 -62.4 -47.2 13.6 15.0 21.0 20 195 A N H >< S+ 0 0 23 -4,-3.0 3,-0.8 1,-0.2 -2,-0.2 0.896 110.4 47.3 -57.9 -47.0 13.7 11.2 21.3 21 196 A I H 3< S+ 0 0 0 -4,-2.5 196,-0.4 1,-0.3 -1,-0.2 0.618 119.2 38.3 -84.5 -12.1 16.4 10.4 18.7 22 197 A F T 3< S+ 0 0 9 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.289 86.4 135.5-108.8 6.1 18.9 13.1 19.8 23 198 A S <> - 0 0 33 -3,-0.8 4,-2.3 -4,-0.4 5,-0.1 -0.346 47.1-154.0 -63.2 126.4 18.1 12.5 23.5 24 199 A K H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.860 97.3 53.6 -67.5 -39.5 21.3 12.3 25.7 25 200 A E H > S+ 0 0 110 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.931 109.5 48.8 -57.0 -46.6 19.5 10.1 28.2 26 201 A M H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.943 111.6 48.7 -60.3 -49.3 18.5 7.7 25.5 27 202 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.909 115.0 44.9 -57.9 -44.9 22.1 7.6 24.1 28 203 A K H X S+ 0 0 72 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.842 110.3 54.3 -69.2 -38.3 23.5 7.0 27.6 29 204 A N H X S+ 0 0 65 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.925 107.5 51.7 -54.7 -47.8 20.8 4.4 28.3 30 205 A T H X S+ 0 0 3 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.919 109.7 49.2 -57.7 -44.2 21.9 2.5 25.2 31 206 A M H ><>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 3,-0.6 0.927 111.1 48.4 -62.4 -46.2 25.5 2.6 26.3 32 207 A A H ><5S+ 0 0 58 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.859 109.2 54.4 -61.6 -36.2 24.6 1.2 29.8 33 208 A L H 3<5S+ 0 0 114 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.742 106.8 51.1 -68.6 -23.8 22.5 -1.5 28.1 34 209 A M T <<5S- 0 0 30 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.226 122.4-108.8 -96.5 12.7 25.6 -2.5 26.1 35 210 A D T < 5 + 0 0 66 -3,-1.2 54,-3.5 1,-0.2 -3,-0.2 0.634 67.7 151.7 71.1 20.9 27.7 -2.7 29.3 36 211 A L B < -B 88 0B 4 -5,-2.7 2,-1.1 52,-0.3 52,-0.3 -0.493 52.7-119.0 -82.2 149.3 29.7 0.5 28.6 37 212 A D > - 0 0 18 50,-2.6 4,-1.8 1,-0.2 3,-0.3 -0.761 27.9-175.6 -89.3 96.8 31.1 2.7 31.3 38 213 A V T 4 S+ 0 0 36 -2,-1.1 -1,-0.2 1,-0.2 5,-0.1 0.772 82.3 57.3 -65.2 -26.5 29.4 6.0 30.6 39 214 A K T 4 S+ 0 0 197 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.881 114.2 36.6 -71.0 -38.3 31.4 7.7 33.3 40 215 A K T 4 S+ 0 0 145 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.660 126.9 40.4 -85.2 -19.6 34.7 6.7 31.7 41 216 A M S < S- 0 0 1 -4,-1.8 -1,-0.2 46,-0.1 -2,-0.1 -0.576 82.0-170.2-128.8 67.0 33.3 7.2 28.2 42 217 A P >> - 0 0 51 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.133 33.7-114.8 -56.9 154.8 31.1 10.4 28.2 43 218 A L T 34 S+ 0 0 15 1,-0.3 3,-0.4 2,-0.2 78,-0.1 0.871 119.3 48.0 -56.4 -42.1 28.9 11.2 25.2 44 219 A G T 34 S+ 0 0 82 1,-0.2 -1,-0.3 77,-0.0 74,-0.0 0.510 108.4 56.9 -78.2 -6.6 31.0 14.4 24.5 45 220 A K T <4 S+ 0 0 139 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.621 78.5 113.9 -96.1 -18.7 34.2 12.4 24.9 46 221 A L < - 0 0 14 -4,-1.1 2,-0.3 -3,-0.4 3,-0.0 -0.299 45.6-179.5 -53.3 129.7 33.3 9.8 22.1 47 222 A S > - 0 0 44 1,-0.1 4,-1.8 -2,-0.0 5,-0.1 -0.934 42.1-125.3-132.5 158.3 35.6 10.1 19.1 48 223 A K H > S+ 0 0 129 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.848 113.4 57.4 -65.4 -36.0 36.0 8.4 15.7 49 224 A Q H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 106.1 48.5 -59.2 -46.5 39.7 7.7 16.7 50 225 A Q H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.938 112.0 48.4 -60.8 -49.1 38.6 5.8 19.8 51 226 A I H X S+ 0 0 13 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.877 111.3 50.5 -58.8 -40.1 36.0 3.7 17.9 52 227 A A H X S+ 0 0 48 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.899 109.2 51.0 -64.8 -43.1 38.6 2.9 15.2 53 228 A R H X S+ 0 0 100 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.808 108.2 53.2 -61.6 -34.4 41.1 1.8 17.8 54 229 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 3,-0.2 0.904 108.3 49.0 -66.9 -45.3 38.4 -0.5 19.3 55 230 A F H X S+ 0 0 21 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.841 107.6 55.9 -60.7 -36.5 37.8 -2.1 16.0 56 231 A E H X S+ 0 0 127 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.804 106.6 50.2 -64.9 -32.0 41.6 -2.6 15.6 57 232 A A H X S+ 0 0 4 -4,-1.1 4,-1.7 -3,-0.2 -2,-0.2 0.855 110.4 49.5 -72.5 -37.7 41.5 -4.5 19.0 58 233 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.846 107.4 54.5 -69.6 -36.9 38.7 -6.7 17.7 59 234 A E H X S+ 0 0 86 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.880 108.7 48.5 -61.5 -42.4 40.5 -7.4 14.5 60 235 A A H X S+ 0 0 41 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.876 112.3 49.5 -64.8 -39.4 43.5 -8.6 16.5 61 236 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.850 108.2 53.5 -65.3 -37.9 41.2 -10.8 18.6 62 237 A E H X S+ 0 0 38 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.897 108.5 49.4 -62.7 -42.3 39.6 -12.2 15.4 63 238 A E H < S+ 0 0 136 -4,-1.9 4,-0.2 1,-0.2 -2,-0.2 0.857 110.6 50.2 -66.8 -36.2 43.0 -13.2 14.1 64 239 A A H >< S+ 0 0 37 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.849 112.5 47.9 -68.9 -37.0 43.8 -14.9 17.5 65 240 A L H 3< S+ 0 0 48 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.904 101.4 61.7 -68.9 -44.7 40.5 -16.8 17.4 66 241 A K T 3< S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.1 -2,-0.2 0.465 105.9 163.0 -70.7 -1.0 40.8 -18.0 13.8 67 242 A G S < S- 0 0 40 -3,-0.6 2,-0.2 -4,-0.2 -1,-0.1 0.232 72.7-174.4 73.4 172.7 44.0 -19.9 14.8 68 243 A P - 0 0 111 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.596 56.8-105.0 -87.1-166.4 46.3 -21.6 15.2 69 244 A T + 0 0 149 -2,-0.2 -5,-0.0 1,-0.1 -4,-0.0 -0.737 52.8 163.2 -66.1 108.9 48.1 -21.2 18.5 70 245 A D - 0 0 89 -2,-0.8 -1,-0.1 3,-0.1 3,-0.1 0.225 61.3 -96.9-120.4 8.9 51.1 -19.3 16.9 71 246 A G S S+ 0 0 76 1,-0.1 3,-0.1 2,-0.1 -2,-0.1 0.641 80.4 135.8 80.9 16.9 52.6 -17.8 20.1 72 247 A G - 0 0 66 1,-0.2 -1,-0.1 -8,-0.1 2,-0.0 0.009 66.6 -54.3 -74.7-169.4 50.8 -14.5 19.8 73 248 A Q - 0 0 119 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 -0.338 65.3-103.9 -66.4 151.8 49.2 -12.6 22.7 74 249 A S > - 0 0 61 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.240 23.3-113.1 -72.2 165.6 46.5 -14.6 24.7 75 250 A L H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 23,-0.5 0.852 120.3 51.7 -66.8 -35.9 42.8 -14.0 24.3 76 251 A E H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 111.6 46.4 -64.1 -43.7 42.7 -12.6 27.9 77 252 A E H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.876 114.2 46.2 -68.0 -40.2 45.5 -10.2 27.1 78 253 A L H X S+ 0 0 15 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.757 112.9 51.2 -76.4 -25.8 44.0 -9.0 23.8 79 254 A S H X S+ 0 0 3 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.931 105.9 55.4 -67.7 -49.3 40.6 -8.7 25.6 80 255 A S H X S+ 0 0 73 -4,-2.5 4,-0.7 1,-0.3 -2,-0.2 0.835 107.6 49.1 -54.5 -39.3 42.2 -6.6 28.3 81 256 A H H X S+ 0 0 91 -4,-1.5 4,-1.7 2,-0.2 3,-0.4 0.878 108.0 53.9 -68.5 -39.6 43.6 -4.2 25.7 82 257 A F H X S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 -2,-0.2 0.918 107.8 51.0 -57.2 -43.5 40.1 -3.9 24.0 83 258 A Y H < S+ 0 0 25 -4,-2.4 5,-0.3 1,-0.2 -1,-0.2 0.681 105.1 56.4 -72.2 -17.6 38.7 -3.0 27.4 84 259 A T H < S+ 0 0 103 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.867 113.5 40.9 -73.0 -39.4 41.4 -0.3 27.9 85 260 A V H < S+ 0 0 2 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.911 127.7 30.6 -75.2 -44.8 40.2 1.3 24.6 86 261 A I S < S- 0 0 0 -4,-2.9 -1,-0.3 -5,-0.1 2,-0.1 -0.848 88.7-140.4-121.1 89.4 36.5 0.8 25.2 87 262 A P - 0 0 18 0, 0.0 -50,-2.6 0, 0.0 2,-0.3 -0.281 21.0-166.1 -54.8 123.8 35.7 1.0 29.0 88 263 A H B -B 36 0B 18 -5,-0.3 2,-0.5 -52,-0.3 -52,-0.3 -0.735 11.1-143.2-109.6 159.7 33.1 -1.5 30.1 89 264 A N + 0 0 61 -54,-3.5 5,-0.1 -2,-0.3 -51,-0.0 -0.986 28.6 157.9-128.6 120.9 31.1 -1.7 33.3 90 265 A F S > S- 0 0 62 -2,-0.5 3,-1.3 3,-0.4 -1,-0.0 -0.475 85.4 -68.7-133.0 58.6 30.2 -5.0 35.0 91 266 A G T 3 S- 0 0 57 1,-0.3 3,-0.1 2,-0.0 -2,-0.1 0.824 93.9 -62.3 55.4 34.7 29.7 -3.7 38.6 92 267 A H T 3 S+ 0 0 167 1,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.781 108.4 126.4 57.0 30.4 33.4 -3.1 38.8 93 268 A S S < S- 0 0 82 -3,-1.3 -3,-0.4 1,-0.1 -1,-0.3 -0.640 75.3 -82.0 -94.7 167.6 34.3 -6.7 38.3 94 269 A Q - 0 0 174 -2,-0.2 -1,-0.1 -3,-0.1 -5,-0.1 -0.477 49.6-113.1 -68.3 140.8 36.7 -7.7 35.5 95 270 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -12,-0.1 -0.412 39.4 -94.8 -71.8 156.5 35.0 -7.9 32.0 96 271 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.329 39.8 -99.5 -73.6 151.8 34.8 -11.3 30.3 97 272 A P - 0 0 51 0, 0.0 2,-1.4 0, 0.0 -21,-0.1 -0.506 27.5-126.9 -69.3 135.7 37.4 -12.7 27.8 98 273 A I + 0 0 0 -23,-0.5 -20,-0.1 -2,-0.2 -19,-0.0 -0.675 57.0 143.1 -85.3 89.4 36.4 -12.3 24.2 99 274 A N + 0 0 86 -2,-1.4 -1,-0.2 -34,-0.0 -23,-0.1 0.074 44.9 57.0-126.3 19.2 37.0 -16.0 23.4 100 275 A S S > S- 0 0 28 1,-0.1 4,-2.1 -3,-0.0 5,-0.1 -0.981 77.8-118.3-147.1 153.7 34.3 -17.1 20.9 101 276 A P H > S+ 0 0 90 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.825 115.2 55.7 -59.1 -31.6 33.1 -16.0 17.5 102 277 A E H > S+ 0 0 143 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.905 109.8 43.2 -67.9 -43.8 29.7 -15.2 19.0 103 278 A L H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 111.0 56.5 -72.1 -36.4 31.1 -12.8 21.6 104 279 A L H X S+ 0 0 11 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.924 107.7 46.4 -59.8 -48.0 33.4 -11.2 19.1 105 280 A Q H X S+ 0 0 51 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.833 108.4 58.1 -64.5 -33.4 30.5 -10.3 16.7 106 281 A A H X S+ 0 0 46 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.885 107.8 45.5 -62.8 -40.9 28.6 -8.9 19.8 107 282 A K H X S+ 0 0 14 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.808 113.1 51.3 -72.6 -29.1 31.5 -6.6 20.5 108 283 A K H X S+ 0 0 14 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.913 110.2 48.1 -69.2 -44.3 31.5 -5.7 16.8 109 284 A D H X S+ 0 0 75 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.867 110.9 52.7 -63.0 -39.3 27.8 -5.0 16.8 110 285 A M H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.918 108.0 49.4 -59.7 -49.9 28.2 -2.8 20.0 111 286 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.806 107.4 56.0 -63.2 -29.4 31.0 -0.7 18.4 112 287 A L H X S+ 0 0 25 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.887 109.0 46.2 -70.3 -36.7 28.7 -0.2 15.3 113 288 A V H >X S+ 0 0 23 -4,-1.6 4,-1.5 2,-0.2 3,-0.7 0.950 112.1 51.0 -67.7 -47.6 26.0 1.2 17.5 114 289 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.3 -2,-0.2 0.853 106.0 56.3 -59.0 -35.1 28.5 3.4 19.4 115 290 A A H 3X S+ 0 0 22 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.811 107.7 48.1 -64.2 -31.0 29.8 4.6 15.9 116 291 A D H X S+ 0 0 30 -4,-2.0 4,-0.7 2,-0.2 3,-0.6 0.967 112.4 46.2 -65.1 -51.4 27.0 13.8 18.5 122 297 A A H >< S+ 0 0 44 -4,-2.8 3,-0.9 1,-0.3 -2,-0.2 0.856 108.0 58.0 -59.6 -38.2 29.2 15.1 15.6 123 298 A L H 3< S+ 0 0 40 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.861 102.7 54.6 -59.7 -36.0 26.1 16.1 13.7 124 299 A Q H << S+ 0 0 36 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.606 76.5 125.6 -78.8 -15.1 25.0 18.3 16.6 125 300 A A << - 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