==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JAN-13 4IQT . COMPND 2 MOLECULE: DNA NUCLEOTIDYLEXOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.GOUGE,M.DELARUE . 356 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 1 1 1 2 2 1 0 0 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 149 A K 0 0 156 0, 0.0 2,-0.3 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 119.9 23.8 -2.4 -4.3 2 150 A I - 0 0 68 63,-0.3 7,-0.1 1,-0.1 2,-0.1 -0.464 360.0-127.1 -63.4 122.8 23.5 -0.2 -1.1 3 151 A S - 0 0 23 5,-0.4 -1,-0.1 -2,-0.3 5,-0.1 -0.381 4.6-132.9 -69.1 151.0 19.8 0.8 -0.6 4 152 A Q S S+ 0 0 89 -2,-0.1 2,-0.5 62,-0.1 -1,-0.1 0.566 88.6 84.6 -76.5 -11.5 18.8 4.5 -0.2 5 153 A Y S > S- 0 0 11 1,-0.1 3,-1.9 3,-0.1 -2,-0.2 -0.860 70.7-149.8 -99.5 127.6 16.6 3.2 2.8 6 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.7 1,-0.3 298,-0.1 0.800 99.0 65.2 -59.7 -31.7 18.1 2.7 6.3 7 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 297,-0.2 297,-0.1 0.531 102.1 49.0 -70.1 -8.0 15.5 -0.1 6.9 8 156 A Q G < S+ 0 0 87 -3,-1.9 -5,-0.4 340,-0.1 2,-0.3 0.040 105.5 74.6-114.0 19.2 17.3 -2.1 4.0 9 157 A R S < S- 0 0 11 -3,-1.7 2,-0.6 -7,-0.1 349,-0.1 -0.952 76.1-131.5-128.9 149.8 20.8 -1.5 5.6 10 158 A R - 0 0 123 -2,-0.3 2,-0.6 42,-0.2 346,-0.2 -0.928 26.4-175.3-102.4 114.9 22.5 -3.0 8.6 11 159 A T B +a 356 0A 0 344,-2.9 346,-2.3 -2,-0.6 2,-0.2 -0.934 6.0 178.6-118.8 103.8 24.0 -0.1 10.7 12 160 A T - 0 0 50 -2,-0.6 343,-0.1 39,-0.3 177,-0.1 -0.506 44.0-101.4 -99.9 169.7 26.0 -1.3 13.7 13 161 A L S S+ 0 0 89 341,-0.3 2,-1.8 -2,-0.2 342,-0.1 0.591 97.6 95.8 -75.5 -4.8 27.9 0.8 16.3 14 162 A N - 0 0 81 38,-0.0 2,-0.7 2,-0.0 -2,-0.2 -0.600 60.4-176.8 -85.6 82.2 31.3 0.2 14.6 15 163 A N > - 0 0 37 -2,-1.8 3,-0.5 1,-0.1 36,-0.1 -0.778 16.3-177.2 -84.1 113.8 31.3 3.4 12.6 16 164 A Y T 3 S+ 0 0 109 -2,-0.7 3,-0.2 37,-0.5 -1,-0.1 0.455 79.7 54.7 -88.1 -4.1 34.3 3.5 10.4 17 165 A N T >> + 0 0 2 39,-0.1 4,-2.7 1,-0.1 3,-0.9 -0.045 59.1 132.1-125.2 33.6 33.4 7.0 9.1 18 166 A Q H <> S+ 0 0 113 -3,-0.5 4,-2.9 1,-0.2 5,-0.3 0.795 71.3 62.0 -54.9 -36.8 33.1 9.1 12.3 19 167 A L H 3> S+ 0 0 107 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.901 114.5 33.8 -57.0 -41.7 35.3 11.9 10.8 20 168 A F H <> S+ 0 0 10 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.901 120.6 47.8 -79.9 -46.8 32.6 12.4 8.0 21 169 A T H X S+ 0 0 1 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.835 107.1 54.8 -72.5 -34.1 29.5 11.6 10.0 22 170 A D H X S+ 0 0 83 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.942 113.0 44.6 -60.8 -44.3 30.3 13.9 13.0 23 171 A A H X S+ 0 0 5 -4,-0.9 4,-2.2 -5,-0.3 -2,-0.2 0.913 114.9 47.8 -61.8 -46.9 30.7 16.8 10.5 24 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.867 110.3 52.2 -65.2 -37.1 27.5 15.8 8.6 25 173 A D H X S+ 0 0 56 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.835 110.5 48.7 -66.2 -35.6 25.6 15.5 11.9 26 174 A I H X S+ 0 0 31 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.919 112.7 47.1 -68.8 -45.6 26.8 19.1 12.9 27 175 A L H X S+ 0 0 13 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.888 112.9 49.2 -65.6 -37.6 25.7 20.5 9.6 28 176 A A H X S+ 0 0 4 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.893 110.8 50.2 -65.9 -42.3 22.3 18.8 9.8 29 177 A E H X S+ 0 0 91 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.872 109.7 51.0 -65.3 -38.8 21.8 20.1 13.4 30 178 A N H X S+ 0 0 16 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.896 108.5 51.2 -64.9 -41.6 22.7 23.6 12.2 31 179 A D H <>S+ 0 0 18 -4,-1.9 5,-3.0 2,-0.2 -1,-0.2 0.792 108.8 51.9 -66.6 -28.6 20.1 23.3 9.3 32 180 A E H ><5S+ 0 0 85 -4,-1.4 3,-1.3 3,-0.2 -2,-0.2 0.927 111.2 47.0 -69.2 -45.1 17.5 22.2 11.9 33 181 A L H 3<5S+ 0 0 14 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.839 112.0 49.5 -65.9 -34.0 18.3 25.3 14.0 34 182 A R T 3<5S- 0 0 116 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.308 115.4-118.5 -88.2 8.5 18.2 27.6 10.9 35 183 A E T < 5 + 0 0 91 -3,-1.3 2,-1.1 1,-0.2 -3,-0.2 0.711 68.4 142.5 58.8 27.3 14.7 26.0 10.1 36 184 A N >< + 0 0 81 -5,-3.0 4,-2.2 1,-0.2 -1,-0.2 -0.696 20.3 172.0 -96.9 78.5 16.2 24.6 6.7 37 185 A E H > S+ 0 0 79 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.805 71.8 52.8 -56.3 -40.3 14.3 21.2 6.8 38 186 A G H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 112.3 41.6 -66.6 -49.8 15.4 20.2 3.2 39 187 A S H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.874 113.8 55.9 -66.9 -35.7 19.2 20.8 3.7 40 188 A C H X S+ 0 0 8 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.920 108.0 47.6 -58.7 -49.7 18.8 19.1 7.2 41 189 A L H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.880 109.6 53.1 -60.4 -43.2 17.3 15.9 5.6 42 190 A A H X S+ 0 0 51 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.895 112.2 44.1 -62.4 -42.5 20.0 15.7 2.9 43 191 A F H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.869 112.6 53.1 -69.9 -37.2 22.8 15.8 5.5 44 192 A M H X S+ 0 0 32 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.884 110.3 46.6 -64.9 -40.4 20.9 13.3 7.7 45 193 A R H X S+ 0 0 52 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.878 113.7 48.7 -68.9 -39.6 20.5 10.7 4.9 46 194 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.917 112.6 47.7 -66.3 -46.1 24.2 11.1 3.8 47 195 A S H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.938 112.4 51.2 -57.1 -48.8 25.4 10.7 7.4 48 196 A S H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.906 108.6 48.7 -56.0 -52.3 23.1 7.6 7.8 49 197 A V H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.881 111.5 49.9 -62.6 -36.8 24.4 5.8 4.6 50 198 A L H >< S+ 0 0 1 -4,-1.9 3,-1.2 1,-0.2 -34,-0.3 0.875 103.3 60.7 -70.1 -32.3 28.1 6.4 5.7 51 199 A K H 3< S+ 0 0 47 -4,-2.0 -39,-0.3 1,-0.3 -1,-0.2 0.762 102.1 54.6 -60.3 -28.6 27.3 5.0 9.1 52 200 A S T << S+ 0 0 23 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.622 82.0 112.5 -81.6 -18.2 26.3 1.7 7.4 53 201 A L < - 0 0 4 -3,-1.2 -37,-0.5 -4,-0.5 -36,-0.1 -0.308 60.6-147.8 -61.6 138.7 29.6 1.3 5.5 54 202 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.369 82.7 38.7 -87.4 5.4 31.8 -1.7 6.6 55 203 A F S S- 0 0 79 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.969 90.9 -98.3-145.9 158.2 35.0 0.2 5.7 56 204 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.624 35.0-116.7 -83.4 142.4 36.3 3.9 6.0 57 205 A I + 0 0 7 -2,-0.3 3,-0.1 1,-0.2 -37,-0.1 -0.578 42.7 162.4 -70.9 125.5 36.2 6.3 3.0 58 206 A T + 0 0 101 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.452 63.4 21.4-124.2 -6.9 39.8 7.2 2.2 59 207 A S S > S- 0 0 46 1,-0.1 3,-0.8 0, 0.0 -1,-0.3 -0.962 79.7-109.0-152.9 160.9 39.4 8.6 -1.4 60 208 A M G > S+ 0 0 61 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 0.835 115.5 66.9 -63.9 -29.5 36.6 10.1 -3.5 61 209 A K G > S+ 0 0 78 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.839 90.3 64.4 -58.6 -34.0 36.6 6.8 -5.6 62 210 A D G < S+ 0 0 51 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.644 93.0 62.5 -64.4 -17.6 35.3 4.9 -2.4 63 211 A T G X S+ 0 0 6 -3,-2.0 3,-1.9 -4,-0.3 -1,-0.3 0.543 75.2 122.9 -86.0 -7.3 32.1 7.0 -2.7 64 212 A E T < S+ 0 0 78 -3,-1.7 -3,-0.0 1,-0.3 0, 0.0 -0.316 81.1 8.2 -59.1 128.8 31.2 5.5 -6.1 65 213 A G T 3 S+ 0 0 76 1,-0.2 -63,-0.3 -64,-0.0 -1,-0.3 0.377 92.8 130.6 80.9 -1.4 27.8 3.8 -6.1 66 214 A I < - 0 0 14 -3,-1.9 3,-0.5 -65,-0.1 -1,-0.2 -0.739 51.1-140.1 -83.6 122.8 26.9 5.1 -2.6 67 215 A P S S+ 0 0 34 0, 0.0 3,-0.1 0, 0.0 -18,-0.1 -0.258 76.7 40.3 -76.4 171.8 23.4 6.7 -2.7 68 216 A C S S+ 0 0 39 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.698 79.3 122.1 65.1 24.4 22.3 9.9 -0.8 69 217 A L + 0 0 15 -3,-0.5 -1,-0.1 -6,-0.1 -26,-0.1 -0.801 39.8 179.4-118.3 85.9 25.6 11.6 -1.6 70 218 A G > - 0 0 42 -2,-0.6 4,-2.6 -28,-0.2 5,-0.2 -0.118 46.2 -90.7 -73.3 178.8 24.7 14.8 -3.5 71 219 A D H > S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.887 126.3 51.6 -61.9 -41.6 27.2 17.5 -4.8 72 220 A K H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.949 113.5 45.2 -60.6 -47.8 27.1 19.6 -1.5 73 221 A V H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.899 110.5 53.3 -62.2 -44.6 27.8 16.4 0.6 74 222 A K H X S+ 0 0 70 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.853 105.8 54.4 -63.2 -32.4 30.6 15.2 -1.8 75 223 A S H X S+ 0 0 59 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.888 109.8 47.7 -65.7 -39.4 32.3 18.7 -1.4 76 224 A I H X S+ 0 0 6 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.916 112.6 47.6 -67.0 -45.2 32.3 18.2 2.4 77 225 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.927 110.7 52.9 -60.1 -45.9 33.7 14.6 2.1 78 226 A E H X S+ 0 0 117 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.872 108.3 51.0 -57.1 -42.4 36.4 15.9 -0.3 79 227 A G H X S+ 0 0 23 -4,-1.8 4,-1.3 2,-0.2 6,-0.5 0.826 110.4 47.9 -64.2 -37.6 37.4 18.6 2.2 80 228 A I H X S+ 0 0 3 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.887 110.7 51.1 -72.6 -39.9 37.7 16.1 5.1 81 229 A I H < S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.892 106.3 59.9 -61.7 -39.4 39.8 13.7 2.9 82 230 A E H < S- 0 0 82 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.893 133.5 -9.1 -55.3 -54.9 42.1 16.8 2.0 83 231 A D H < S- 0 0 120 -4,-1.3 -2,-0.2 2,-0.4 -1,-0.2 0.178 94.7-101.3-138.5 18.8 43.3 17.6 5.6 84 232 A G S < S+ 0 0 35 -4,-2.4 2,-0.3 1,-0.2 -4,-0.2 0.454 93.5 89.4 74.4 3.9 41.2 15.5 8.1 85 233 A E S S- 0 0 45 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.948 70.9-131.3-131.4 154.1 38.9 18.4 9.0 86 234 A S > - 0 0 12 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.913 11.6-167.8-103.0 112.9 35.7 19.9 7.8 87 235 A S H > S+ 0 0 89 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.877 91.5 53.4 -64.1 -35.7 36.0 23.7 7.4 88 236 A E H > S+ 0 0 62 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.919 111.7 42.1 -64.3 -48.4 32.2 23.9 7.1 89 237 A A H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.845 112.5 55.8 -70.3 -32.4 31.5 22.0 10.4 90 238 A K H X S+ 0 0 109 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.890 106.6 50.0 -65.6 -39.3 34.4 24.0 12.1 91 239 A A H X S+ 0 0 65 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.842 110.0 50.5 -69.2 -32.5 32.6 27.3 11.1 92 240 A V H >< S+ 0 0 13 -4,-1.4 3,-1.1 1,-0.2 7,-0.2 0.935 108.0 53.5 -68.1 -44.2 29.3 25.9 12.6 93 241 A L H 3< S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.764 113.1 43.4 -62.6 -25.5 31.1 25.0 15.9 94 242 A N H 3< S+ 0 0 111 -4,-1.1 -1,-0.3 -5,-0.1 2,-0.2 0.493 88.2 113.1 -97.3 -9.3 32.4 28.5 16.2 95 243 A D S+ 0 0 111 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.875 99.9 48.8 -62.0 -43.9 27.5 32.2 18.1 97 245 A R H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 112.9 47.2 -65.1 -45.1 23.9 31.2 17.2 98 246 A Y H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.922 112.2 49.8 -62.5 -46.9 24.8 27.5 16.9 99 247 A K H X S+ 0 0 114 -4,-2.4 4,-2.3 -7,-0.2 -2,-0.2 0.910 113.3 46.6 -57.9 -45.7 26.7 27.5 20.2 100 248 A S H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.880 111.5 50.3 -64.7 -42.5 23.8 29.2 22.1 101 249 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 112.7 46.6 -68.4 -38.8 21.2 26.8 20.6 102 250 A K H X S+ 0 0 42 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.939 117.1 44.1 -64.0 -47.6 23.2 23.7 21.6 103 251 A L H < S+ 0 0 61 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.915 116.7 44.3 -65.7 -46.2 23.9 25.0 25.1 104 252 A F H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.927 113.0 49.2 -70.1 -44.1 20.4 26.3 25.8 105 253 A T H 3< S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.3 5,-0.2 0.628 92.4 78.6 -72.3 -8.2 18.5 23.2 24.5 106 254 A S T 3< S+ 0 0 50 -4,-0.7 2,-0.4 -3,-0.4 -1,-0.3 0.630 79.8 89.7 -70.8 -11.7 20.9 21.0 26.6 107 255 A V S X S- 0 0 3 -3,-1.6 3,-1.9 -4,-0.2 2,-0.3 -0.715 92.9-112.9 -86.4 132.3 18.5 22.1 29.5 108 256 A F T 3 S+ 0 0 33 -2,-0.4 36,-0.5 36,-0.3 37,-0.1 -0.533 105.5 26.5 -66.8 123.9 15.5 19.8 30.1 109 257 A G T 3 S+ 0 0 23 -2,-0.3 2,-0.6 1,-0.2 32,-0.3 0.284 95.8 110.1 103.8 -6.3 12.4 21.9 29.1 110 258 A V < + 0 0 11 -3,-1.9 -1,-0.2 -5,-0.2 2,-0.2 -0.918 40.4 167.6-108.8 118.2 14.2 24.2 26.7 111 259 A G > - 0 0 39 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.399 52.9 -70.6-111.4-171.0 13.4 23.8 23.0 112 260 A L H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.841 125.9 49.2 -50.5 -49.2 14.0 25.8 19.8 113 261 A K H > S+ 0 0 170 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 114.4 43.1 -65.2 -44.9 11.6 28.7 20.6 114 262 A T H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 114.0 52.0 -68.4 -40.3 12.8 29.4 24.2 115 263 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.895 111.8 46.8 -61.5 -41.6 16.5 29.0 23.0 116 264 A E H X S+ 0 0 71 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.868 111.2 52.3 -67.4 -40.8 15.9 31.6 20.2 117 265 A K H X S+ 0 0 83 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.916 111.7 45.3 -60.4 -48.4 14.1 34.0 22.6 118 266 A W H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 3,-0.4 0.893 111.8 52.2 -65.3 -40.7 17.0 33.9 25.1 119 267 A F H ><5S+ 0 0 28 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.914 109.4 48.9 -60.8 -46.1 19.6 34.4 22.3 120 268 A R H 3<5S+ 0 0 170 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.645 105.6 59.3 -70.9 -14.9 17.7 37.5 21.0 121 269 A M T 3<5S- 0 0 112 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.561 124.2-106.5 -86.1 -10.7 17.6 38.8 24.6 122 270 A G T < 5 + 0 0 49 -3,-1.4 2,-0.2 -4,-0.4 -3,-0.2 0.532 69.4 147.0 98.2 8.6 21.4 38.7 24.5 123 271 A F < + 0 0 26 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.561 13.3 162.4 -77.9 142.5 22.0 35.7 26.7 124 272 A R + 0 0 84 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.456 58.2 49.7-133.6 -16.7 25.0 33.5 26.0 125 273 A T S > S- 0 0 60 1,-0.1 4,-1.4 -22,-0.0 -1,-0.2 -0.938 70.1-130.1-129.1 155.7 25.6 31.4 29.2 126 274 A L H > S+ 0 0 17 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.841 108.3 60.9 -71.9 -31.0 23.4 29.2 31.5 127 275 A S H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.877 106.0 46.6 -60.8 -41.5 24.7 31.1 34.5 128 276 A K H > S+ 0 0 134 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.836 113.3 49.2 -72.8 -32.5 23.4 34.4 33.2 129 277 A I H >< S+ 0 0 0 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.971 112.7 46.4 -68.0 -52.2 20.0 32.8 32.4 130 278 A Q H 3< S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.728 114.8 46.0 -61.2 -35.0 19.6 31.1 35.8 131 279 A S H 3< S+ 0 0 64 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.485 83.7 115.5 -91.7 -5.6 20.5 34.2 37.8 132 280 A D << - 0 0 56 -3,-1.0 -3,-0.0 -4,-0.6 -4,-0.0 -0.427 53.2-156.5 -66.9 135.2 18.3 36.7 35.8 133 281 A K S S+ 0 0 184 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.555 87.0 52.1 -92.8 -6.3 15.6 38.1 38.0 134 282 A S S S+ 0 0 112 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.748 85.3 98.7 -98.8 -29.3 13.2 39.0 35.1 135 283 A L - 0 0 27 -6,-0.2 2,-0.4 1,-0.1 -6,-0.0 -0.252 60.2-148.7 -63.1 143.7 13.0 35.6 33.4 136 284 A R - 0 0 221 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.967 13.2-157.9-114.7 128.9 10.1 33.2 34.0 137 285 A F - 0 0 47 -2,-0.4 2,-0.0 2,-0.0 0, 0.0 -0.894 14.2-124.2-111.9 142.8 10.7 29.5 33.8 138 286 A T > - 0 0 76 -2,-0.4 4,-2.2 -29,-0.1 5,-0.1 -0.291 35.0-106.0 -70.7 163.9 8.3 26.6 33.2 139 287 A Q H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.885 123.9 54.2 -60.4 -35.1 8.2 23.8 35.8 140 288 A M H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 109.2 46.9 -62.6 -45.6 10.0 21.6 33.2 141 289 A Q H > S+ 0 0 7 -32,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.858 107.4 56.5 -66.2 -40.8 12.9 24.2 32.9 142 290 A K H X S+ 0 0 105 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.926 111.9 43.1 -55.7 -46.8 13.1 24.6 36.7 143 291 A A H X S+ 0 0 8 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.896 111.1 56.5 -66.2 -40.1 13.8 20.8 37.0 144 292 A G H < S+ 0 0 0 -4,-2.1 -36,-0.3 -36,-0.5 -2,-0.2 0.851 113.9 38.6 -60.0 -38.4 16.1 21.1 34.0 145 293 A F H >< S+ 0 0 17 -4,-2.2 3,-0.8 2,-0.2 4,-0.2 0.866 113.8 54.0 -79.5 -40.7 18.3 23.7 35.8 146 294 A L H 3< S+ 0 0 126 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.853 123.0 28.1 -62.4 -38.5 18.0 22.1 39.3 147 295 A Y T 3X S+ 0 0 41 -4,-2.3 4,-2.4 -5,-0.1 3,-0.3 0.109 86.0 124.7-111.1 20.4 19.3 18.7 38.0 148 296 A Y H <> S+ 0 0 51 -3,-0.8 4,-2.1 1,-0.2 5,-0.2 0.830 70.3 49.3 -47.8 -56.0 21.4 20.1 35.0 149 297 A E H > S+ 0 0 95 -4,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.887 115.7 44.2 -58.4 -41.4 24.8 18.5 35.9 150 298 A D H 4 S+ 0 0 25 -3,-0.3 3,-0.3 1,-0.2 -2,-0.2 0.915 114.7 48.5 -68.5 -45.0 23.3 15.0 36.4 151 299 A L H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.780 110.6 50.9 -68.0 -29.2 21.1 15.2 33.3 152 300 A V H < S+ 0 0 63 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.714 93.8 85.9 -84.7 -18.0 24.1 16.4 31.1 153 301 A S S < S- 0 0 47 -4,-1.0 2,-0.1 -3,-0.3 0, 0.0 -0.609 95.5-100.4 -78.7 137.9 26.3 13.5 32.3 154 302 A C - 0 0 64 -2,-0.3 2,-0.4 1,-0.1 40,-0.2 -0.362 25.9-126.9 -61.5 136.3 25.7 10.3 30.2 155 303 A V E -B 193 0B 5 38,-2.8 38,-1.4 -4,-0.1 2,-0.2 -0.702 31.8-153.8 -75.6 128.2 23.5 7.5 31.6 156 304 A N E > -B 192 0B 57 -2,-0.4 4,-2.4 36,-0.2 36,-0.2 -0.507 27.8 -98.3-100.2 175.5 25.6 4.3 31.5 157 305 A R H > S+ 0 0 123 34,-0.7 4,-2.9 2,-0.2 5,-0.3 0.930 121.6 53.5 -64.4 -45.1 24.3 0.6 31.2 158 306 A P H > S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 109,-0.3 0.892 113.0 45.9 -55.1 -36.7 24.7 -0.2 35.0 159 307 A E H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.924 112.2 49.9 -70.2 -43.1 22.5 3.0 35.7 160 308 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.880 112.3 48.3 -61.0 -39.7 20.0 2.0 33.0 161 309 A E H X S+ 0 0 108 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.878 109.2 52.1 -69.0 -38.0 19.8 -1.5 34.5 162 310 A A H X S+ 0 0 5 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.915 111.3 47.8 -62.4 -41.6 19.3 -0.1 38.0 163 311 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.907 107.5 56.4 -63.3 -45.1 16.4 2.1 36.5 164 312 A S H X S+ 0 0 3 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.891 106.3 50.6 -54.2 -43.7 15.0 -1.1 34.8 165 313 A M H X S+ 0 0 90 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.907 110.9 48.2 -60.2 -45.9 14.8 -2.8 38.3 166 314 A L H X S+ 0 0 7 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.909 113.6 47.0 -60.5 -46.8 13.0 0.2 39.8 167 315 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.948 114.4 46.3 -62.0 -51.6 10.5 0.3 36.9 168 316 A K H X S+ 0 0 82 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.919 112.5 50.3 -60.2 -45.9 9.8 -3.5 37.0 169 317 A E H X S+ 0 0 106 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.866 116.2 42.0 -59.0 -42.3 9.4 -3.5 40.9 170 318 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.2 3,-0.4 0.933 116.4 47.3 -71.8 -47.0 6.9 -0.6 40.7 171 319 A V H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-1.2 0.922 109.8 50.7 -61.8 -50.7 5.0 -1.8 37.7 172 320 A V H 3< S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.706 98.6 69.7 -64.8 -20.6 4.5 -5.5 38.9 173 321 A T H 3< S+ 0 0 87 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.855 117.5 21.3 -62.1 -37.1 3.2 -4.1 42.3 174 322 A F H << S+ 0 0 66 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.788 141.2 26.3-102.5 -35.5 0.0 -2.9 40.4 175 323 A L >< - 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0 0 8 -4,-0.8 2,-0.2 -3,-0.2 -1,-0.1 -0.256 62.3-152.3 70.8-159.8 14.6 3.7 16.8 301 453 A S > - 0 0 8 57,-0.2 4,-2.4 56,-0.1 -1,-0.2 0.589 38.4-127.5 -71.7 176.7 17.0 5.1 15.6 302 454 A R H > S+ 0 0 167 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.942 110.9 45.3 -57.0 -47.5 15.2 8.3 14.4 303 455 A Q H > S+ 0 0 8 55,-0.5 4,-2.3 1,-0.2 -297,-0.3 0.853 110.5 53.0 -65.1 -38.2 16.6 7.8 10.8 304 456 A F H > S+ 0 0 0 54,-0.3 4,-2.3 52,-0.3 -1,-0.2 0.917 111.1 47.7 -62.8 -43.4 15.7 4.0 10.8 305 457 A E H X S+ 0 0 20 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.907 111.1 50.7 -63.4 -45.8 12.0 4.9 11.8 306 458 A R H X S+ 0 0 84 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.921 114.0 43.9 -57.5 -48.3 11.8 7.7 9.1 307 459 A D H X S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.849 109.8 56.2 -70.0 -35.0 13.0 5.3 6.3 308 460 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.916 112.5 42.2 -56.9 -48.4 10.8 2.4 7.5 309 461 A R H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 11,-0.2 0.877 116.3 48.8 -68.2 -37.8 7.7 4.7 7.2 310 462 A R H X S+ 0 0 41 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.924 112.8 47.1 -67.8 -48.5 9.0 6.1 3.8 311 463 A Y H X>S+ 0 0 10 -4,-3.3 4,-2.5 2,-0.2 5,-1.1 0.932 111.1 52.6 -57.4 -49.6 9.7 2.6 2.4 312 464 A A H X5S+ 0 0 0 -4,-2.6 6,-2.8 -5,-0.2 4,-0.8 0.919 117.7 37.9 -54.1 -45.1 6.2 1.4 3.6 313 465 A T H X5S+ 0 0 58 -4,-2.1 4,-1.0 4,-0.2 -2,-0.2 0.965 125.5 33.0 -70.8 -58.5 4.5 4.4 1.8 314 466 A H H <5S+ 0 0 127 -4,-2.8 -3,-0.2 1,-0.1 -2,-0.2 0.818 130.7 28.8 -74.5 -35.6 6.5 4.7 -1.4 315 467 A E H <5S+ 0 0 104 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.1 0.751 133.7 24.1 -98.6 -30.7 7.5 1.0 -2.0 316 468 A R H <> -GH 318 332D 13 5,-3.0 5,-1.3 -2,-0.4 4,-1.2 -0.849 7.1-167.1 -96.6 110.6 -2.4 -2.0 3.6 328 480 A R T 45S+ 0 0 138 -11,-1.8 -1,-0.1 -2,-0.7 -10,-0.1 0.743 87.1 48.6 -71.3 -26.3 -4.0 0.5 1.2 329 481 A T T 45S+ 0 0 102 -12,-0.4 -1,-0.2 1,-0.1 -11,-0.1 0.918 119.6 35.2 -78.7 -48.1 -4.3 -2.1 -1.6 330 482 A K T 45S- 0 0 160 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.601 101.7-135.8 -80.0 -14.2 -5.8 -4.9 0.5 331 483 A R T <5 + 0 0 197 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.848 64.6 116.2 59.3 41.3 -7.8 -2.3 2.5 332 484 A V E < -H 327 0D 73 -5,-1.3 -5,-3.0 0, 0.0 2,-0.3 -0.984 69.4-119.2-140.4 147.8 -6.8 -4.1 5.8 333 485 A F E -H 326 0D 84 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.3 -0.696 35.1-131.4 -81.5 136.7 -4.9 -3.5 9.0 334 486 A L - 0 0 26 -9,-3.4 -9,-0.5 -2,-0.3 2,-0.2 -0.817 15.7-139.4 -97.8 129.7 -2.0 -6.1 9.3 335 487 A E - 0 0 72 -2,-0.4 2,-0.3 -11,-0.1 -45,-0.1 -0.618 21.2-179.5 -87.7 147.1 -1.6 -7.9 12.6 336 488 A A - 0 0 6 -47,-0.4 -44,-0.5 -2,-0.2 -43,-0.2 -0.976 25.9-176.2-150.0 133.6 1.8 -8.6 14.2 337 489 A E S S+ 0 0 126 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.504 82.1 21.8-100.9 -9.4 2.9 -10.4 17.4 338 490 A S S > S- 0 0 35 1,-0.1 4,-1.1 -47,-0.0 3,-0.2 -0.953 80.4-108.7-150.8 164.1 6.6 -9.5 16.9 339 491 A E H > S+ 0 0 5 -2,-0.3 4,-2.3 1,-0.2 3,-0.5 0.899 117.1 63.0 -63.7 -39.1 8.9 -7.1 15.0 340 492 A E H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.875 101.3 50.7 -51.1 -45.5 9.8 -10.0 12.7 341 493 A E H > S+ 0 0 69 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.854 108.9 51.7 -63.8 -35.8 6.2 -10.3 11.5 342 494 A I H X S+ 0 0 0 -4,-1.1 4,-1.3 -3,-0.5 -2,-0.2 0.940 111.3 46.8 -64.6 -50.3 6.1 -6.4 10.8 343 495 A F H ><>S+ 0 0 1 -4,-2.3 5,-2.4 1,-0.2 3,-0.5 0.908 112.4 50.6 -57.2 -45.2 9.3 -6.7 8.7 344 496 A A H ><5S+ 0 0 73 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.875 107.2 53.1 -63.1 -38.6 7.9 -9.8 6.8 345 497 A H H 3<5S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.775 110.8 48.6 -63.7 -29.6 4.6 -7.8 6.1 346 498 A L T <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.440 115.8-117.3 -87.5 -5.6 6.8 -5.0 4.5 347 499 A G T < 5S+ 0 0 45 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.810 70.0 137.1 68.1 34.6 8.8 -7.6 2.5 348 500 A L < - 0 0 11 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.908 60.8-113.8-110.8 141.7 12.0 -6.6 4.3 349 501 A D - 0 0 124 -2,-0.4 2,-0.1 1,-0.1 -3,-0.0 -0.445 52.6 -92.5 -65.8 141.5 14.8 -8.9 5.7 350 502 A Y - 0 0 47 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.408 37.1-154.4 -64.4 128.9 14.7 -8.7 9.5 351 503 A I - 0 0 3 -2,-0.1 5,-0.1 -3,-0.1 -8,-0.1 -0.948 18.1-129.8-105.5 119.1 17.1 -6.0 10.9 352 504 A E > - 0 0 66 -2,-0.5 3,-2.4 1,-0.1 4,-0.2 -0.326 24.5-109.6 -64.0 152.1 18.2 -6.8 14.5 353 505 A P G > S+ 0 0 8 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.882 121.2 54.2 -54.4 -39.1 17.9 -3.9 17.0 354 506 A W G 3 S+ 0 0 136 1,-0.3 -341,-0.3 -167,-0.1 3,-0.3 0.526 104.9 56.8 -70.3 -6.5 21.7 -3.5 17.2 355 507 A E G < S+ 0 0 32 -3,-2.4 -344,-2.9 1,-0.2 -1,-0.3 0.258 88.1 77.8-104.6 6.0 21.6 -3.1 13.4 356 508 A R B < +a 11 0A 0 -3,-1.7 2,-1.0 -4,-0.2 -52,-0.3 0.074 52.2 119.2-103.5 23.4 19.2 -0.1 13.4 357 509 A N 0 0 16 -346,-2.3 -1,-0.1 -3,-0.3 -56,-0.1 -0.142 360.0 360.0 -84.8 44.3 21.7 2.5 14.5 358 510 A A 0 0 13 -2,-1.0 -55,-0.5 -349,-0.1 -54,-0.3 -0.235 360.0 360.0 -67.9 360.0 21.1 4.5 11.2