==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-AUG-12 4GV2 . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.KARLBERG,A.G.THORSELL,A.E.G.LINDGREN,T.EKBLAD,S.SPJUT, . 354 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 15.8 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 . 35 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 26.6 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 1 1 0 2 2 0 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 1 1 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 . 3 0 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 0 161 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.6 -3.9 40.5 22.5 2 177 A M - 0 0 178 1,-0.1 2,-0.1 131,-0.0 130,-0.0 -0.500 360.0-131.1 -82.1 131.7 -6.6 37.9 23.0 3 178 A K - 0 0 70 -2,-0.3 2,-0.4 1,-0.1 130,-0.2 -0.467 18.9-119.0 -79.9 143.2 -7.7 35.8 20.1 4 179 A R E -a 133 0A 157 128,-1.8 130,-3.1 -2,-0.1 2,-0.6 -0.703 17.8-143.9 -74.4 134.7 -11.3 35.3 19.2 5 180 A V E -a 134 0A 85 -2,-0.4 131,-0.1 128,-0.2 3,-0.1 -0.901 22.7-136.1 -97.6 117.1 -12.5 31.7 19.4 6 181 A Q - 0 0 82 128,-3.0 130,-0.3 -2,-0.6 3,-0.1 -0.451 27.9 -91.3 -76.0 150.6 -15.1 31.4 16.6 7 182 A P - 0 0 115 0, 0.0 129,-0.3 0, 0.0 2,-0.2 -0.218 48.6 -99.9 -59.1 146.8 -18.4 29.5 17.2 8 183 A C - 0 0 33 1,-0.1 7,-0.0 127,-0.1 -3,-0.0 -0.503 25.8-161.7 -71.2 134.4 -18.4 25.8 16.4 9 184 A S + 0 0 92 -2,-0.2 2,-0.2 127,-0.1 -1,-0.1 0.515 57.1 103.8 -87.5 -12.6 -19.9 24.8 13.1 10 185 A L S S- 0 0 21 1,-0.1 -2,-0.1 2,-0.1 129,-0.1 -0.480 71.6-118.7 -84.1 143.8 -20.4 21.1 13.9 11 186 A D > - 0 0 57 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.322 39.1-100.2 -68.1 161.3 -23.6 19.4 14.8 12 187 A P H > S+ 0 0 109 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.825 120.5 50.1 -54.5 -42.5 -23.8 17.7 18.3 13 188 A A H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.926 112.7 46.2 -67.3 -44.0 -23.1 14.2 17.1 14 189 A T H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 109.3 55.1 -67.4 -36.0 -20.1 15.2 15.1 15 190 A Q H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.0 48.5 -60.2 -42.3 -18.8 17.4 18.1 16 191 A K H X S+ 0 0 51 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.885 111.1 50.7 -64.5 -40.5 -18.9 14.3 20.3 17 192 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.950 111.9 45.6 -59.0 -52.4 -17.1 12.2 17.7 18 193 A I H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.899 113.3 51.2 -62.6 -41.2 -14.3 14.7 17.3 19 194 A T H < S+ 0 0 70 -4,-2.4 3,-0.4 -5,-0.2 4,-0.3 0.945 113.4 45.5 -56.1 -49.2 -14.1 15.0 21.1 20 195 A N H >< S+ 0 0 23 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.914 110.1 50.8 -66.5 -41.1 -13.8 11.2 21.5 21 196 A I H 3< S+ 0 0 0 -4,-2.4 194,-0.4 1,-0.3 -1,-0.2 0.666 119.5 36.1 -81.5 -13.1 -11.3 10.4 18.7 22 197 A F T 3< S+ 0 0 9 -4,-1.1 -1,-0.3 -3,-0.4 2,-0.3 0.234 86.2 135.1-114.5 11.1 -8.8 13.1 20.0 23 198 A S <> - 0 0 33 -3,-1.0 4,-2.5 -4,-0.3 5,-0.2 -0.407 48.2-152.4 -68.0 126.6 -9.5 12.6 23.7 24 199 A K H > S+ 0 0 105 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.861 99.9 54.4 -67.0 -32.8 -6.3 12.4 25.8 25 200 A E H > S+ 0 0 113 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.921 108.3 49.6 -62.0 -45.4 -8.2 10.2 28.3 26 201 A M H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 111.8 47.8 -58.2 -48.2 -9.1 7.8 25.5 27 202 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.936 113.7 45.7 -61.7 -45.3 -5.5 7.7 24.3 28 203 A K H X S+ 0 0 78 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.894 111.4 53.6 -64.9 -38.2 -4.2 7.1 27.8 29 204 A N H X S+ 0 0 65 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.898 108.5 49.9 -57.9 -47.8 -6.9 4.5 28.4 30 205 A T H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.937 109.2 51.0 -58.4 -45.8 -5.8 2.7 25.3 31 206 A M H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.3 0.914 110.8 49.4 -60.7 -39.3 -2.2 2.7 26.4 32 207 A A H ><5S+ 0 0 60 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.878 106.9 54.5 -66.7 -37.7 -3.2 1.2 29.8 33 208 A L H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.762 108.0 50.8 -66.5 -24.4 -5.2 -1.5 28.1 34 209 A M T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.186 119.9-110.6 -95.3 13.6 -2.0 -2.3 26.1 35 210 A D T < 5 + 0 0 66 -3,-1.5 52,-2.7 1,-0.2 -3,-0.2 0.649 66.1 150.1 67.9 21.8 0.0 -2.5 29.3 36 211 A L B < -B 86 0B 4 -5,-2.7 2,-1.1 50,-0.3 50,-0.3 -0.504 52.8-118.8 -86.1 152.2 2.1 0.6 28.6 37 212 A D > - 0 0 15 48,-2.5 4,-1.5 1,-0.2 3,-0.3 -0.765 27.9-175.7 -91.9 98.7 3.5 2.8 31.4 38 213 A V T 4 S+ 0 0 35 -2,-1.1 -1,-0.2 1,-0.2 5,-0.1 0.770 80.4 60.5 -69.4 -23.2 1.8 6.2 30.7 39 214 A K T 4 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.909 114.5 35.5 -69.2 -38.0 3.7 7.9 33.5 40 215 A K T 4 S+ 0 0 135 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.643 127.7 38.4 -87.6 -19.1 7.0 7.0 31.7 41 216 A M S < S- 0 0 1 -4,-1.5 -1,-0.2 44,-0.1 -2,-0.1 -0.601 79.1-177.4-133.4 69.3 5.6 7.5 28.2 42 217 A P >> - 0 0 55 0, 0.0 3,-1.7 0, 0.0 4,-1.2 -0.291 38.9-108.7 -69.2 158.9 3.2 10.5 28.3 43 218 A L T 34 S+ 0 0 12 1,-0.3 3,-0.4 2,-0.2 76,-0.1 0.861 118.5 51.3 -55.6 -43.2 1.3 11.4 25.2 44 219 A G T 34 S+ 0 0 79 1,-0.2 -1,-0.3 75,-0.0 -3,-0.0 0.658 109.4 51.9 -68.7 -16.3 3.3 14.5 24.6 45 220 A K T <4 S+ 0 0 146 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.637 79.4 111.5 -97.3 -17.9 6.5 12.6 24.9 46 221 A L < - 0 0 12 -4,-1.2 2,-0.3 -3,-0.4 3,-0.0 -0.338 49.1-177.2 -53.6 132.0 5.7 9.9 22.3 47 222 A S > - 0 0 42 1,-0.1 4,-1.9 73,-0.0 5,-0.2 -0.946 41.3-121.2-134.9 159.3 7.9 10.2 19.3 48 223 A K H > S+ 0 0 125 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.867 114.2 56.6 -62.9 -36.8 8.5 8.6 15.9 49 224 A Q H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 107.2 48.6 -62.4 -42.5 12.1 7.9 16.8 50 225 A Q H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.940 112.3 47.5 -63.5 -47.6 10.9 5.9 19.9 51 226 A I H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.923 111.8 51.4 -60.1 -42.4 8.4 3.9 18.0 52 227 A A H X S+ 0 0 48 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.898 109.5 49.5 -63.7 -41.9 11.0 3.2 15.3 53 228 A R H X S+ 0 0 113 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.841 108.3 54.7 -64.0 -33.1 13.4 2.0 18.0 54 229 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.913 108.0 47.8 -65.8 -43.0 10.7 -0.2 19.4 55 230 A F H X S+ 0 0 25 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 109.5 54.0 -66.8 -40.5 10.1 -1.8 15.9 56 231 A E H X S+ 0 0 129 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.909 108.2 50.3 -57.8 -40.8 14.0 -2.4 15.6 57 232 A A H X S+ 0 0 6 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.902 111.3 47.3 -64.6 -39.4 13.9 -4.2 19.0 58 233 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.873 107.8 56.5 -69.3 -35.0 11.0 -6.4 17.8 59 234 A E H X S+ 0 0 86 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.916 107.2 49.3 -59.8 -41.8 12.9 -7.1 14.5 60 235 A A H X S+ 0 0 42 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 111.0 50.0 -64.1 -40.4 15.8 -8.4 16.6 61 236 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.898 109.6 51.2 -61.5 -41.8 13.5 -10.6 18.6 62 237 A E H X S+ 0 0 40 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.908 109.9 48.6 -65.9 -42.4 11.9 -12.0 15.4 63 238 A E H < S+ 0 0 144 -4,-2.3 3,-0.4 2,-0.2 -1,-0.2 0.942 112.9 49.0 -61.8 -44.7 15.3 -12.9 14.0 64 239 A A H < S+ 0 0 47 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 107.6 54.3 -61.4 -42.3 16.2 -14.5 17.3 65 240 A L H < 0 0 55 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.798 360.0 360.0 -60.9 -33.4 12.9 -16.5 17.4 66 241 A K < 0 0 184 -4,-1.6 -2,-0.2 -3,-0.4 -3,-0.2 0.895 360.0 360.0 -90.0 360.0 13.7 -17.9 13.9 67 ! 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 68 245 A D 0 0 206 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 18.9 23.8 -19.0 17.2 69 246 A G + 0 0 85 1,-0.2 3,-0.1 2,-0.0 0, 0.0 0.573 360.0 136.7 78.8 8.8 25.4 -17.3 20.3 70 247 A G - 0 0 50 1,-0.2 -1,-0.2 -6,-0.1 0, 0.0 -0.110 66.4 -59.6 -71.4-179.6 23.3 -14.1 19.9 71 248 A Q - 0 0 119 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 -0.258 62.6-103.4 -61.1 148.2 21.5 -12.3 22.7 72 249 A S > - 0 0 63 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.258 25.9-112.8 -66.6 160.2 18.9 -14.3 24.7 73 250 A L H > S+ 0 0 53 1,-0.2 4,-2.5 2,-0.2 23,-0.4 0.867 122.3 53.8 -61.4 -33.9 15.2 -13.7 24.2 74 251 A E H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 108.7 46.2 -64.6 -42.4 15.3 -12.3 27.7 75 252 A E H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.919 115.8 45.6 -66.4 -43.8 18.1 -9.9 26.9 76 253 A L H X S+ 0 0 14 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.863 112.5 51.8 -70.5 -37.6 16.4 -8.8 23.7 77 254 A S H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.921 106.4 54.8 -59.8 -46.8 13.0 -8.5 25.5 78 255 A S H X S+ 0 0 74 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.877 107.0 49.7 -58.4 -39.3 14.7 -6.3 28.2 79 256 A H H X S+ 0 0 85 -4,-1.8 4,-1.9 2,-0.2 3,-0.5 0.921 108.8 52.5 -64.8 -42.8 15.9 -3.9 25.6 80 257 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.923 109.3 50.4 -55.7 -44.6 12.4 -3.7 24.0 81 258 A Y H < S+ 0 0 24 -4,-2.5 5,-0.3 1,-0.2 -1,-0.2 0.708 107.0 53.8 -73.4 -16.8 11.0 -2.9 27.4 82 259 A T H < S+ 0 0 109 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.894 112.9 43.9 -76.6 -40.4 13.5 -0.1 28.0 83 260 A V H < S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.900 126.3 30.7 -68.3 -43.6 12.6 1.5 24.7 84 261 A I S < S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.2 2,-0.1 -0.887 90.7-138.7-122.8 91.5 8.8 1.1 25.2 85 262 A P - 0 0 16 0, 0.0 -48,-2.5 0, 0.0 2,-0.3 -0.310 21.4-167.2 -58.2 128.1 8.0 1.3 29.0 86 263 A H B -B 36 0B 16 -5,-0.3 2,-0.5 -50,-0.3 -50,-0.3 -0.806 11.7-143.7-114.6 156.1 5.4 -1.2 30.2 87 264 A N + 0 0 65 -52,-2.7 5,-0.1 -2,-0.3 -49,-0.0 -0.985 27.2 160.5-123.9 120.5 3.5 -1.4 33.4 88 265 A F S > S- 0 0 66 -2,-0.5 3,-1.7 3,-0.4 -51,-0.0 -0.519 84.2 -70.8-131.1 65.1 2.7 -4.7 35.0 89 266 A G T 3 S- 0 0 59 1,-0.2 3,-0.1 -2,-0.0 -2,-0.1 0.868 92.2 -62.0 41.3 44.3 2.0 -3.4 38.6 90 267 A H T 3 S+ 0 0 175 1,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.745 109.5 121.7 57.3 24.6 5.8 -2.8 38.9 91 268 A S S < S- 0 0 86 -3,-1.7 -3,-0.4 1,-0.1 -1,-0.2 -0.693 79.0 -75.8 -95.9 167.9 6.7 -6.5 38.5 92 269 A Q - 0 0 145 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 -0.336 48.3-117.5 -62.8 140.9 9.0 -7.5 35.6 93 270 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.469 39.4-103.0 -72.4 158.1 7.4 -7.5 32.2 94 271 A P - 0 0 46 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.454 34.5 -95.1 -88.8 160.9 7.4 -10.9 30.5 95 272 A P - 0 0 42 0, 0.0 2,-1.4 0, 0.0 -21,-0.1 -0.409 26.6-127.0 -79.6 143.7 9.7 -12.3 27.7 96 273 A I + 0 0 0 -23,-0.4 -20,-0.0 1,-0.2 -19,-0.0 -0.666 55.4 142.8 -91.3 87.1 8.6 -12.1 24.1 97 274 A N + 0 0 87 -2,-1.4 -1,-0.2 -20,-0.0 3,-0.1 0.070 45.2 58.7-127.1 23.6 9.2 -15.7 23.3 98 275 A S S > S- 0 0 32 1,-0.1 4,-2.1 -3,-0.0 5,-0.1 -0.978 78.5-117.7-146.3 153.8 6.5 -16.8 20.9 99 276 A P H > S+ 0 0 88 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.889 114.9 56.5 -55.9 -38.4 5.2 -15.8 17.5 100 277 A E H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.906 109.7 42.6 -63.5 -46.2 1.9 -14.9 19.0 101 278 A L H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.829 111.9 55.8 -69.6 -34.8 3.4 -12.5 21.6 102 279 A L H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.949 110.2 44.4 -61.0 -50.7 5.7 -11.0 19.0 103 280 A Q H X S+ 0 0 47 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.884 110.3 56.5 -63.8 -35.2 2.8 -10.1 16.7 104 281 A A H X S+ 0 0 50 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.919 108.7 46.3 -63.6 -42.8 0.9 -8.8 19.7 105 282 A K H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.871 111.9 51.5 -64.1 -40.8 3.7 -6.4 20.5 106 283 A K H X S+ 0 0 10 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.938 111.0 48.2 -58.9 -45.0 3.9 -5.4 16.7 107 284 A D H X S+ 0 0 72 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.895 109.5 53.1 -64.3 -41.0 0.1 -4.7 16.8 108 285 A M H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.924 110.3 47.6 -55.2 -47.8 0.5 -2.6 20.0 109 286 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.815 107.8 55.3 -68.5 -30.4 3.2 -0.5 18.4 110 287 A L H X S+ 0 0 32 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.910 111.2 44.7 -66.8 -39.4 1.1 -0.0 15.3 111 288 A V H X S+ 0 0 20 -4,-2.1 4,-1.9 2,-0.2 3,-0.4 0.950 112.8 51.4 -66.1 -46.1 -1.7 1.3 17.5 112 289 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.875 105.6 56.1 -59.7 -37.6 0.8 3.5 19.4 113 290 A A H X S+ 0 0 27 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.859 107.7 48.8 -60.1 -38.3 2.1 4.9 16.0 114 291 A D H X S+ 0 0 18 -4,-1.4 4,-1.9 -3,-0.4 -2,-0.2 0.815 108.5 52.6 -73.3 -30.2 -1.4 6.0 15.3 115 292 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.942 110.7 48.1 -65.1 -45.5 -1.7 7.6 18.7 116 293 A E H X S+ 0 0 21 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.882 107.7 56.3 -63.2 -37.4 1.5 9.5 17.9 117 294 A L H X S+ 0 0 39 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.932 106.7 49.1 -57.1 -48.7 0.1 10.5 14.5 118 295 A A H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.851 112.1 48.8 -61.3 -38.0 -2.9 12.1 16.2 119 296 A Q H < S+ 0 0 34 -4,-1.8 4,-0.5 2,-0.2 3,-0.3 0.936 111.8 48.1 -66.4 -44.7 -0.6 14.0 18.6 120 297 A A H >< S+ 0 0 45 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.877 107.9 56.6 -63.6 -36.8 1.6 15.2 15.7 121 298 A L H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.879 103.6 54.1 -59.3 -38.1 -1.5 16.3 13.8 122 299 A Q T 3< S+ 0 0 33 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.535 77.3 124.7 -78.9 -6.8 -2.6 18.5 16.7 123 300 A A S < S- 0 0 66 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.0 -0.303 70.8-109.8 -54.4 135.5 0.8 20.4 16.9 124 301 A V - 0 0 84 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.550 32.0-139.6 -73.5 124.7 0.1 24.2 16.5 125 302 A S > - 0 0 57 -2,-0.3 4,-0.9 1,-0.1 -1,-0.1 -0.235 19.7-112.9 -79.3 172.1 1.3 25.6 13.2 126 303 A E H >> S+ 0 0 139 2,-0.2 4,-1.3 1,-0.2 3,-0.7 0.911 116.4 55.5 -74.7 -41.4 3.0 29.0 12.9 127 304 A Q H >> S+ 0 0 138 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.908 103.9 57.0 -50.8 -45.6 0.1 30.6 11.0 128 305 A E H 34 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.810 103.7 51.9 -63.0 -29.5 -2.2 29.6 13.9 129 306 A K H << S+ 0 0 131 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.798 115.2 42.3 -75.5 -27.8 0.0 31.6 16.3 130 307 A T H << S+ 0 0 94 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.1 0.819 90.2 95.2 -87.7 -36.5 -0.2 34.7 14.2 131 308 A V < - 0 0 51 -4,-2.6 -128,-0.0 1,-0.1 3,-0.0 -0.227 67.9-141.8 -58.1 148.0 -4.0 34.7 13.1 132 309 A E S S+ 0 0 157 1,-0.1 -128,-1.8 -129,-0.1 2,-0.4 0.557 84.3 44.5 -92.7 -8.4 -6.1 36.9 15.4 133 310 A E E -a 4 0A 89 -130,-0.2 -128,-0.2 -128,-0.0 -1,-0.1 -0.995 69.5-165.1-131.4 143.2 -9.1 34.5 15.4 134 311 A V E -a 5 0A 38 -130,-3.1 -128,-3.0 -2,-0.4 2,-0.1 -0.871 25.1-106.7-123.6 154.2 -9.0 30.8 15.8 135 312 A P - 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