==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 21-NOV-12 4I2E . 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) . 18176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 67.4 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 . 35 9.8 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 0 2 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 1 2 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 0 193 0, 0.0 2,-0.3 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 123.6 23.5 -2.2 -3.6 2 150 A I - 0 0 61 63,-0.3 7,-0.1 1,-0.1 2,-0.1 -0.475 360.0-125.7 -65.4 124.5 23.1 -0.1 -0.4 3 151 A S - 0 0 25 5,-0.4 -1,-0.1 -2,-0.3 5,-0.1 -0.383 4.9-132.2 -72.2 151.1 19.5 1.0 -0.0 4 152 A Q S S+ 0 0 85 -2,-0.1 2,-0.5 62,-0.1 -1,-0.1 0.590 89.2 84.3 -73.6 -14.4 18.4 4.6 0.4 5 153 A Y S > S- 0 0 8 1,-0.1 3,-1.9 3,-0.1 -2,-0.2 -0.847 70.4-150.0 -97.8 129.8 16.2 3.4 3.3 6 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.5 1,-0.3 298,-0.1 0.787 99.3 64.9 -62.4 -30.8 17.7 3.0 6.8 7 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 297,-0.2 297,-0.1 0.517 102.0 49.4 -71.5 -7.3 15.2 0.1 7.5 8 156 A Q G < S+ 0 0 89 -3,-1.9 -5,-0.4 340,-0.1 2,-0.3 0.040 106.0 73.4-113.0 17.7 17.0 -1.9 4.6 9 157 A R S < S- 0 0 12 -3,-1.5 2,-0.6 -7,-0.1 349,-0.1 -0.937 76.2-132.1-128.3 151.6 20.4 -1.2 6.2 10 158 A R - 0 0 117 -2,-0.3 2,-0.5 42,-0.2 346,-0.2 -0.952 25.9-173.8-104.7 117.3 22.1 -2.7 9.3 11 159 A T B +a 356 0A 0 344,-2.7 346,-2.2 -2,-0.6 2,-0.2 -0.937 6.7 179.0-120.3 103.5 23.6 0.2 11.3 12 160 A T - 0 0 50 -2,-0.5 343,-0.1 39,-0.3 177,-0.1 -0.544 42.8-103.8-101.6 167.3 25.7 -0.9 14.3 13 161 A L S S+ 0 0 87 341,-0.3 2,-1.8 -2,-0.2 342,-0.1 0.602 97.1 94.6 -73.7 -9.3 27.6 1.2 16.9 14 162 A N - 0 0 83 2,-0.0 2,-0.7 37,-0.0 -2,-0.2 -0.596 61.8-176.6 -82.0 80.0 31.0 0.5 15.3 15 163 A N > - 0 0 40 -2,-1.8 3,-0.5 1,-0.1 36,-0.1 -0.782 16.7-177.0 -83.0 112.3 30.9 3.7 13.2 16 164 A Y T 3 S+ 0 0 111 -2,-0.7 3,-0.2 37,-0.6 -1,-0.1 0.436 79.6 55.7 -85.9 -4.1 34.1 3.7 10.9 17 165 A N T >> + 0 0 2 39,-0.1 4,-2.7 1,-0.1 3,-0.6 -0.010 59.4 130.2-123.5 34.9 33.1 7.2 9.5 18 166 A Q H <> S+ 0 0 111 -3,-0.5 4,-2.7 1,-0.2 5,-0.3 0.790 71.1 61.2 -60.0 -32.8 32.8 9.4 12.7 19 167 A L H 3> S+ 0 0 110 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.936 115.2 34.2 -60.3 -43.0 35.1 12.1 11.1 20 168 A F H <> S+ 0 0 11 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.916 120.9 46.7 -76.4 -46.4 32.5 12.5 8.3 21 169 A T H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -3,-0.2 0.809 107.3 55.5 -73.7 -32.0 29.3 11.9 10.3 22 170 A D H X S+ 0 0 70 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.931 112.8 44.6 -63.4 -41.0 30.1 14.1 13.3 23 171 A A H X S+ 0 0 6 -4,-0.9 4,-2.2 -5,-0.3 -2,-0.2 0.939 114.6 47.6 -65.2 -47.3 30.6 17.0 10.7 24 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.868 110.3 52.9 -63.7 -36.4 27.4 16.1 8.8 25 173 A D H X S+ 0 0 55 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.830 109.8 48.9 -66.6 -36.1 25.4 15.9 12.1 26 174 A I H X S+ 0 0 33 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.915 111.9 47.8 -68.0 -46.1 26.6 19.4 13.1 27 175 A L H X S+ 0 0 15 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.891 112.3 50.1 -63.0 -38.3 25.6 20.8 9.7 28 176 A A H X S+ 0 0 4 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.894 110.2 50.3 -64.5 -43.1 22.2 19.1 10.0 29 177 A E H X S+ 0 0 53 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.885 109.6 50.6 -63.7 -41.0 21.7 20.6 13.5 30 178 A N H X S+ 0 0 28 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.892 108.5 51.8 -65.4 -40.5 22.6 24.1 12.3 31 179 A D H <>S+ 0 0 20 -4,-1.9 5,-3.0 2,-0.2 -1,-0.2 0.810 108.0 52.8 -65.0 -30.2 20.0 23.7 9.4 32 180 A E H ><5S+ 0 0 71 -4,-1.5 3,-1.2 3,-0.2 -2,-0.2 0.930 111.4 45.9 -68.4 -44.4 17.4 22.7 12.0 33 181 A L H 3<5S+ 0 0 7 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.849 112.2 50.0 -64.2 -39.3 18.2 25.9 14.0 34 182 A R T 3<5S- 0 0 90 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.326 115.8-118.2 -84.0 6.8 18.1 28.0 10.7 35 183 A E T < 5 + 0 0 169 -3,-1.2 2,-1.2 1,-0.2 -3,-0.2 0.703 68.4 142.4 60.2 28.5 14.7 26.4 9.9 36 184 A N >< + 0 0 81 -5,-3.0 4,-2.1 1,-0.2 -1,-0.2 -0.709 19.8 171.4 -97.8 79.3 16.1 24.9 6.7 37 185 A E H > S+ 0 0 77 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.839 72.5 53.4 -57.1 -41.6 14.2 21.6 6.9 38 186 A G H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 112.0 41.5 -62.2 -52.2 15.3 20.5 3.3 39 187 A S H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 113.9 55.7 -65.5 -36.0 19.1 20.9 3.8 40 188 A C H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.935 108.4 47.1 -59.8 -50.8 18.7 19.4 7.4 41 189 A L H X S+ 0 0 66 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.874 110.6 52.2 -59.3 -44.1 17.1 16.2 5.9 42 190 A A H X S+ 0 0 47 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.906 112.4 44.7 -62.8 -43.1 19.8 15.9 3.1 43 191 A F H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.881 113.1 51.9 -68.4 -37.6 22.6 16.1 5.7 44 192 A M H X S+ 0 0 30 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.868 110.7 47.1 -65.0 -39.4 20.8 13.6 8.0 45 193 A R H X S+ 0 0 66 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.861 113.5 48.4 -70.7 -37.8 20.3 11.0 5.2 46 194 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.919 113.3 47.0 -66.9 -46.0 24.0 11.3 4.1 47 195 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.931 112.1 52.0 -60.9 -44.6 25.2 10.9 7.7 48 196 A S H X S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.910 109.1 47.9 -58.5 -49.1 22.9 7.9 8.2 49 197 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.907 111.2 50.8 -63.8 -39.0 24.1 6.0 5.1 50 198 A L H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -34,-0.2 0.883 102.7 61.2 -66.8 -32.1 27.8 6.6 6.1 51 199 A K H 3< S+ 0 0 47 -4,-2.0 -39,-0.3 1,-0.3 -1,-0.2 0.754 100.1 56.7 -61.6 -25.9 27.0 5.2 9.6 52 200 A S T << S+ 0 0 24 -3,-0.9 -1,-0.3 -4,-0.8 -42,-0.2 0.554 81.3 112.7 -82.9 -13.9 26.0 1.9 7.9 53 201 A L < - 0 0 6 -3,-1.4 -37,-0.6 -4,-0.4 -36,-0.1 -0.368 59.6-149.9 -66.3 138.2 29.4 1.4 6.2 54 202 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.331 82.5 40.2 -87.4 8.1 31.5 -1.6 7.4 55 203 A F S S- 0 0 77 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.981 90.4 -99.8-148.2 156.6 34.7 0.3 6.4 56 204 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 -39,-0.1 -0.619 34.6-117.5 -81.5 140.4 36.1 4.0 6.6 57 205 A I + 0 0 6 -2,-0.3 3,-0.1 1,-0.1 -37,-0.1 -0.598 41.4 164.2 -67.6 126.5 36.0 6.2 3.5 58 206 A T + 0 0 106 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.427 63.4 22.3-124.4 -5.1 39.6 7.1 2.7 59 207 A S S > S- 0 0 46 1,-0.1 3,-0.9 0, 0.0 -1,-0.3 -0.965 80.1-108.9-152.8 162.1 39.2 8.4 -0.9 60 208 A M G > S+ 0 0 60 -2,-0.3 3,-2.1 1,-0.2 4,-0.3 0.850 115.4 66.6 -64.7 -31.2 36.4 9.9 -3.0 61 209 A K G > S+ 0 0 58 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.823 89.8 65.8 -56.7 -33.4 36.3 6.7 -5.1 62 210 A D G < S+ 0 0 52 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.652 91.8 63.0 -64.0 -15.9 35.0 4.9 -1.9 63 211 A T G X S+ 0 0 5 -3,-2.1 3,-1.8 -4,-0.2 -1,-0.3 0.555 75.6 119.0 -87.4 -7.4 31.8 7.0 -2.2 64 212 A E T < S+ 0 0 153 -3,-1.7 -3,-0.0 1,-0.3 0, 0.0 -0.341 80.9 13.0 -61.8 131.4 30.9 5.4 -5.6 65 213 A G T 3 S+ 0 0 62 1,-0.3 -63,-0.3 -2,-0.1 -1,-0.3 0.304 93.7 127.3 83.9 -7.0 27.5 3.5 -5.5 66 214 A I < - 0 0 14 -3,-1.8 3,-0.5 -65,-0.1 -1,-0.3 -0.709 51.8-141.6 -84.9 124.4 26.6 5.1 -2.1 67 215 A P S S+ 0 0 34 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.292 75.8 38.4 -77.5 170.7 23.1 6.7 -2.2 68 216 A C S S+ 0 0 41 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.667 79.4 123.8 65.3 24.0 22.0 10.0 -0.5 69 217 A L - 0 0 14 -3,-0.5 -1,-0.1 -6,-0.1 -26,-0.1 -0.793 39.8-177.7-116.5 86.1 25.4 11.7 -1.2 70 218 A G > - 0 0 43 -2,-0.6 4,-2.4 -28,-0.1 5,-0.2 -0.099 44.2 -91.7 -71.8 175.4 24.6 14.9 -3.2 71 219 A D H > S+ 0 0 146 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.884 125.9 51.3 -58.4 -44.4 27.2 17.4 -4.6 72 220 A K H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.931 112.5 46.7 -59.6 -46.4 27.1 19.6 -1.4 73 221 A V H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.900 110.4 52.4 -63.2 -44.0 27.7 16.5 0.8 74 222 A K H X S+ 0 0 67 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.835 105.7 54.7 -64.9 -31.7 30.6 15.2 -1.5 75 223 A S H X S+ 0 0 59 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.909 109.0 48.5 -66.1 -38.8 32.3 18.6 -1.2 76 224 A I H X S+ 0 0 7 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.914 112.0 48.4 -66.1 -44.4 32.2 18.2 2.6 77 225 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 3,-0.2 0.921 109.9 52.8 -60.1 -46.1 33.6 14.6 2.4 78 226 A E H X S+ 0 0 117 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.877 108.3 50.8 -57.2 -43.5 36.4 15.8 -0.0 79 227 A G H X S+ 0 0 23 -4,-1.8 4,-1.3 2,-0.2 6,-0.5 0.822 110.1 48.5 -64.5 -36.2 37.4 18.6 2.5 80 228 A I H X S+ 0 0 3 -4,-1.6 4,-2.4 -3,-0.2 -2,-0.2 0.885 110.6 50.9 -73.1 -39.1 37.7 16.1 5.4 81 229 A I H < S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 106.3 60.3 -60.9 -40.4 39.8 13.7 3.3 82 230 A E H < S- 0 0 81 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.899 133.5 -9.8 -54.6 -55.3 42.1 16.7 2.4 83 231 A D H < S- 0 0 109 -4,-1.3 -2,-0.2 2,-0.4 -1,-0.2 0.195 94.7-100.9-138.2 17.8 43.2 17.6 6.0 84 232 A G S < S+ 0 0 33 -4,-2.4 2,-0.3 1,-0.2 -4,-0.2 0.479 93.3 90.4 75.4 5.6 41.1 15.6 8.5 85 233 A E S S- 0 0 123 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.947 70.2-132.4-132.0 154.5 38.8 18.6 9.3 86 234 A S > - 0 0 13 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.929 11.0-167.2-105.3 112.2 35.5 20.1 8.0 87 235 A S H > S+ 0 0 89 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.854 91.7 53.5 -63.3 -35.2 35.9 23.9 7.6 88 236 A E H > S+ 0 0 62 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.914 111.9 42.0 -65.1 -48.9 32.1 24.0 7.2 89 237 A A H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.869 112.4 55.9 -68.2 -36.3 31.4 22.2 10.5 90 238 A K H X S+ 0 0 48 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.893 106.2 50.5 -61.4 -41.4 34.2 24.2 12.2 91 239 A A H X S+ 0 0 65 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.868 110.7 49.1 -67.0 -35.0 32.5 27.5 11.2 92 240 A V H >< S+ 0 0 13 -4,-1.4 3,-1.1 1,-0.2 7,-0.2 0.931 108.2 53.7 -67.4 -45.3 29.2 26.2 12.7 93 241 A L H 3< S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.746 113.2 44.0 -61.3 -24.9 30.9 25.2 16.0 94 242 A N H 3< S+ 0 0 106 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.506 87.9 112.5 -97.8 -7.2 32.3 28.8 16.2 95 243 A D S+ 0 0 99 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.856 99.2 48.8 -65.3 -37.8 27.5 32.5 18.2 97 245 A R H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 113.3 47.4 -67.3 -44.7 23.8 31.6 17.5 98 246 A Y H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.927 112.6 48.9 -62.2 -47.4 24.7 27.9 17.1 99 247 A K H X S+ 0 0 88 -4,-2.4 4,-2.2 -7,-0.2 -1,-0.2 0.908 113.9 46.7 -58.9 -44.7 26.8 27.9 20.4 100 248 A S H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.882 111.6 50.4 -63.3 -45.7 23.9 29.6 22.3 101 249 A F H X S+ 0 0 15 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 113.0 46.5 -62.0 -43.0 21.2 27.3 20.9 102 250 A K H X S+ 0 0 79 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.931 116.6 44.4 -64.2 -46.6 23.2 24.2 21.9 103 251 A L H >< S+ 0 0 62 -4,-2.2 3,-0.6 -5,-0.2 4,-0.2 0.928 116.9 43.6 -65.2 -49.0 24.0 25.5 25.4 104 252 A F H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.919 113.0 50.2 -68.2 -42.5 20.4 26.8 26.1 105 253 A T H 3< S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.3 5,-0.2 0.615 92.2 78.0 -73.6 -7.0 18.6 23.7 24.8 106 254 A S T << S+ 0 0 47 -4,-0.7 2,-0.4 -3,-0.6 -1,-0.3 0.646 79.7 88.9 -71.1 -13.3 20.9 21.5 26.9 107 255 A V S X S- 0 0 3 -3,-1.6 3,-2.0 -4,-0.2 2,-0.2 -0.735 92.9-114.3 -85.3 128.0 18.6 22.6 29.8 108 256 A F T 3 S+ 0 0 35 -2,-0.4 36,-0.5 36,-0.3 37,-0.1 -0.459 105.0 27.9 -62.2 123.7 15.6 20.3 30.4 109 257 A G T 3 S+ 0 0 24 1,-0.2 2,-0.6 -2,-0.2 32,-0.3 0.313 95.9 107.6 103.8 -5.2 12.5 22.4 29.5 110 258 A V < + 0 0 11 -3,-2.0 -1,-0.2 -5,-0.2 2,-0.1 -0.932 42.1 168.9-110.0 117.9 14.2 24.7 27.0 111 259 A G > - 0 0 39 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.383 52.8 -71.2-109.2-168.5 13.4 24.3 23.3 112 260 A L H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.832 126.4 50.4 -53.7 -46.8 14.1 26.3 20.1 113 261 A K H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 114.1 42.2 -65.0 -48.0 11.7 29.2 20.9 114 262 A T H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.889 114.4 52.2 -66.9 -40.1 13.0 29.9 24.5 115 263 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.909 112.0 46.4 -61.5 -41.3 16.6 29.5 23.3 116 264 A E H X S+ 0 0 73 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.888 111.4 52.3 -66.4 -42.7 16.0 32.1 20.5 117 265 A K H X S+ 0 0 118 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.922 111.2 45.8 -58.7 -49.7 14.2 34.4 22.9 118 266 A W H <>S+ 0 0 4 -4,-2.5 5,-2.2 1,-0.2 3,-0.4 0.883 111.7 52.2 -65.3 -38.8 17.2 34.4 25.4 119 267 A F H ><5S+ 0 0 40 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.925 109.1 49.0 -61.8 -45.6 19.7 34.9 22.5 120 268 A R H 3<5S+ 0 0 130 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.671 105.8 58.6 -71.1 -15.1 17.8 38.0 21.2 121 269 A M T 3<5S- 0 0 107 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.545 124.7-105.9 -84.8 -10.3 17.8 39.3 24.8 122 270 A G T < 5S+ 0 0 51 -3,-1.4 2,-0.2 -4,-0.4 -3,-0.2 0.473 70.1 146.3 97.8 6.8 21.6 39.2 24.7 123 271 A F < + 0 0 24 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.1 -0.530 12.3 161.1 -75.3 142.1 22.1 36.1 27.0 124 272 A R + 0 0 98 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.451 57.3 53.8-133.5 -16.1 25.1 33.9 26.2 125 273 A T > - 0 0 63 1,-0.1 4,-1.4 -22,-0.0 -1,-0.2 -0.943 68.7-133.4-128.6 153.1 25.8 31.9 29.4 126 274 A L H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.853 108.2 59.6 -69.0 -34.1 23.7 29.7 31.7 127 275 A S H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.904 106.5 46.5 -58.2 -46.0 25.1 31.5 34.8 128 276 A K H > S+ 0 0 138 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.846 114.2 48.4 -67.9 -33.0 23.7 34.9 33.5 129 277 A I H >< S+ 0 0 0 -4,-1.4 3,-0.8 1,-0.2 -2,-0.2 0.955 113.2 46.0 -69.4 -52.1 20.3 33.2 32.7 130 278 A Q H 3< S+ 0 0 99 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.733 115.0 46.3 -61.5 -34.6 19.9 31.5 36.1 131 279 A S H 3< S+ 0 0 72 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.523 83.7 117.2 -90.5 -6.8 20.9 34.5 38.1 132 280 A D << - 0 0 55 -3,-0.8 -3,-0.0 -4,-0.6 -4,-0.0 -0.382 51.1-158.7 -64.4 133.0 18.7 37.0 36.2 133 281 A K S S+ 0 0 197 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.495 86.7 51.2 -93.8 -4.4 16.0 38.5 38.5 134 282 A S S S+ 0 0 104 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.740 86.7 96.4-102.5 -28.7 13.6 39.5 35.7 135 283 A L - 0 0 21 -6,-0.2 2,-0.4 1,-0.0 -6,-0.0 -0.273 61.3-148.6 -63.1 144.2 13.3 36.2 33.8 136 284 A R - 0 0 227 -2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.974 12.7-156.0-118.1 129.6 10.4 33.8 34.6 137 285 A F - 0 0 47 -2,-0.4 2,-0.0 1,-0.0 0, 0.0 -0.859 13.6-123.6-109.8 144.5 10.9 30.1 34.3 138 286 A T > - 0 0 75 -2,-0.3 4,-2.3 -29,-0.1 5,-0.2 -0.312 34.9-106.9 -73.0 163.7 8.5 27.2 33.7 139 287 A Q H > S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.878 123.6 54.4 -61.1 -36.1 8.3 24.3 36.3 140 288 A M H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.919 109.6 46.1 -61.1 -46.2 10.1 22.1 33.7 141 289 A Q H > S+ 0 0 9 -32,-0.3 4,-2.4 2,-0.2 5,-0.2 0.859 107.9 56.5 -66.2 -40.1 13.0 24.7 33.3 142 290 A K H X S+ 0 0 104 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.923 111.9 42.8 -57.1 -46.3 13.3 25.1 37.2 143 291 A A H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.904 111.0 57.3 -66.0 -40.2 13.9 21.3 37.3 144 292 A G H < S+ 0 0 1 -4,-2.3 -36,-0.3 -36,-0.5 -2,-0.2 0.865 113.8 37.6 -56.8 -41.4 16.2 21.6 34.3 145 293 A F H >< S+ 0 0 19 -4,-2.4 3,-0.9 2,-0.2 4,-0.3 0.882 114.5 54.2 -79.2 -40.3 18.4 24.1 36.1 146 294 A L H 3< S+ 0 0 130 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.870 122.8 27.9 -61.5 -39.8 18.2 22.5 39.6 147 295 A Y T 3X S+ 0 0 36 -4,-2.3 4,-2.5 1,-0.1 -1,-0.2 0.129 86.5 123.6-109.8 19.8 19.4 19.0 38.3 148 296 A Y H <> S+ 0 0 39 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.839 71.3 47.9 -49.2 -55.7 21.5 20.4 35.3 149 297 A E H > S+ 0 0 147 -4,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.901 115.4 45.6 -59.7 -42.4 24.9 18.8 36.2 150 298 A D H >4 S+ 0 0 29 -3,-0.2 3,-0.5 1,-0.2 4,-0.4 0.932 115.1 46.8 -64.5 -46.8 23.3 15.3 36.8 151 299 A L H >< S+ 0 0 22 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.819 112.3 49.8 -67.9 -33.0 21.2 15.5 33.6 152 300 A V H 3< S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.677 98.8 67.1 -78.7 -21.0 24.1 16.6 31.4 153 301 A S T << S- 0 0 70 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.652 100.9-140.2 -73.3 -12.2 26.4 13.8 32.7 154 302 A C < - 0 0 28 -3,-0.7 2,-0.4 -4,-0.4 40,-0.2 0.146 16.5 -80.6 68.9 162.2 24.2 11.3 30.9 155 303 A V E -B 193 0B 6 38,-3.2 38,-1.5 40,-0.1 2,-0.1 -0.859 37.1-153.0-102.6 135.3 23.1 7.9 32.1 156 304 A N E > -B 192 0B 57 -2,-0.4 4,-2.3 36,-0.2 36,-0.2 -0.452 34.7 -97.4-100.2 175.5 25.3 4.7 31.9 157 305 A R H > S+ 0 0 128 34,-0.7 4,-2.9 2,-0.2 5,-0.2 0.929 121.6 53.3 -66.7 -42.5 24.1 1.0 31.7 158 306 A P H > S+ 0 0 44 0, 0.0 4,-1.8 0, 0.0 110,-0.3 0.909 113.8 45.9 -57.7 -36.5 24.5 0.2 35.5 159 307 A E H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.923 111.6 50.5 -68.7 -43.9 22.3 3.3 36.2 160 308 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.902 112.1 47.9 -61.0 -40.5 19.8 2.4 33.4 161 309 A E H X S+ 0 0 113 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.862 109.8 52.2 -67.7 -37.7 19.5 -1.2 34.9 162 310 A A H X S+ 0 0 6 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.897 111.1 47.6 -64.0 -41.2 19.0 0.3 38.5 163 311 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.922 108.2 55.9 -64.4 -43.5 16.2 2.5 37.0 164 312 A S H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.886 106.4 50.4 -55.1 -43.2 14.7 -0.6 35.3 165 313 A M H X S+ 0 0 100 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.913 111.6 47.8 -59.9 -46.2 14.6 -2.4 38.7 166 314 A L H X S+ 0 0 10 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.909 113.3 47.7 -60.9 -46.3 12.8 0.6 40.3 167 315 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.948 114.6 45.3 -60.8 -53.0 10.3 0.8 37.4 168 316 A K H X S+ 0 0 90 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.907 112.6 51.1 -58.3 -46.7 9.5 -3.0 37.5 169 317 A E H X S+ 0 0 94 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.879 115.7 42.1 -59.0 -43.0 9.2 -3.0 41.4 170 318 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.2 3,-0.4 0.927 115.7 48.3 -70.0 -47.6 6.7 -0.0 41.2 171 319 A V H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-1.2 0.920 109.4 50.4 -61.8 -50.5 4.7 -1.3 38.2 172 320 A V H 3< S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.706 98.5 69.0 -66.9 -18.5 4.1 -4.9 39.5 173 321 A T H 3< S+ 0 0 82 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.863 117.3 22.7 -65.2 -33.0 2.9 -3.5 42.9 174 322 A F H << S+ 0 0 69 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.796 140.9 25.2-102.2 -35.2 -0.3 -2.3 41.0 175 323 A L >< - 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0 0 8 -4,-1.0 2,-0.2 1,-0.2 -1,-0.1 -0.331 62.4-152.7 71.8-155.4 14.2 4.1 17.4 301 453 A S > - 0 0 10 57,-0.2 4,-2.4 56,-0.1 -1,-0.2 0.633 39.2-128.0 -67.7 174.4 16.6 5.5 16.1 302 454 A R H > S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.923 110.4 47.5 -57.3 -45.4 14.7 8.6 14.9 303 455 A Q H > S+ 0 0 15 55,-0.5 4,-2.3 1,-0.2 -297,-0.2 0.868 110.1 52.1 -63.7 -41.2 16.2 8.1 11.3 304 456 A F H > S+ 0 0 0 52,-0.3 4,-2.3 54,-0.3 -1,-0.2 0.923 111.5 47.1 -59.2 -46.3 15.3 4.4 11.4 305 457 A E H X S+ 0 0 12 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.893 111.2 51.4 -61.3 -45.9 11.6 5.2 12.3 306 458 A R H X S+ 0 0 72 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.927 113.6 43.5 -57.6 -48.5 11.4 7.9 9.6 307 459 A D H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.847 110.0 56.5 -69.4 -36.4 12.7 5.6 6.9 308 460 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.919 112.8 41.4 -54.6 -49.3 10.4 2.6 8.1 309 461 A R H X S+ 0 0 34 -4,-2.1 4,-2.1 2,-0.2 11,-0.2 0.873 115.3 50.4 -69.0 -39.6 7.3 4.8 7.7 310 462 A R H X S+ 0 0 36 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.918 112.7 46.5 -64.1 -47.9 8.5 6.3 4.4 311 463 A Y H X>S+ 0 0 23 -4,-3.1 4,-2.5 2,-0.2 5,-1.0 0.935 111.2 52.6 -58.7 -50.0 9.2 2.8 3.0 312 464 A A H X5S+ 0 0 0 -4,-2.5 6,-2.9 -5,-0.2 4,-0.9 0.927 117.4 38.0 -52.9 -46.7 5.8 1.5 4.3 313 465 A T H X5S+ 0 0 52 -4,-2.1 4,-0.9 4,-0.2 -2,-0.2 0.969 125.7 32.8 -69.5 -59.4 4.0 4.4 2.5 314 466 A H H <5S+ 0 0 130 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.798 130.2 30.1 -73.7 -35.8 6.0 4.7 -0.8 315 467 A E H <5S+ 0 0 105 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.2 0.757 133.7 23.0 -97.7 -31.2 7.0 1.1 -1.4 316 468 A R H <> -GH 318 332D 10 5,-2.9 4,-1.4 -2,-0.4 5,-1.3 -0.847 7.5-167.2 -97.4 109.4 -2.8 -2.0 4.3 328 480 A R T 45S+ 0 0 141 -11,-1.7 -1,-0.1 -2,-0.7 -10,-0.1 0.737 86.8 48.8 -68.8 -27.3 -4.5 0.5 1.9 329 481 A T T 45S+ 0 0 114 -12,-0.4 -1,-0.2 1,-0.1 -11,-0.1 0.925 119.9 34.7 -79.7 -47.5 -4.7 -2.1 -0.9 330 482 A K T 45S- 0 0 152 2,-0.2 -2,-0.2 1,-0.0 -1,-0.1 0.620 101.7-136.3 -79.7 -15.0 -6.3 -5.0 1.2 331 483 A R T <5 + 0 0 201 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.881 64.0 116.8 58.9 42.7 -8.2 -2.3 3.2 332 484 A V E < -H 327 0D 67 -5,-1.3 -5,-2.9 0, 0.0 2,-0.3 -0.988 69.3-119.1-138.5 148.9 -7.3 -4.1 6.5 333 485 A F E -H 326 0D 95 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.679 34.3-133.6 -81.7 136.7 -5.4 -3.4 9.7 334 486 A L E -H 325 0D 26 -9,-3.3 -9,-0.5 -2,-0.3 2,-0.2 -0.858 15.4-141.4 -99.8 129.0 -2.5 -5.9 10.0 335 487 A E - 0 0 162 -2,-0.5 2,-0.3 -11,-0.1 -45,-0.1 -0.617 19.0-177.7 -87.9 149.7 -2.0 -7.5 13.4 336 488 A A - 0 0 5 -47,-0.4 -44,-0.5 -2,-0.2 -43,-0.2 -0.978 25.3-174.1-149.8 134.6 1.4 -8.3 15.0 337 489 A E S S+ 0 0 114 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.514 83.0 21.2 -98.7 -11.3 2.5 -10.0 18.3 338 490 A S S > S- 0 0 36 1,-0.1 4,-1.1 -47,-0.0 3,-0.3 -0.953 80.1-108.9-148.4 164.9 6.2 -9.1 17.7 339 491 A E H > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 0.877 117.2 63.0 -63.5 -38.3 8.4 -6.6 15.8 340 492 A E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 101.1 50.8 -51.9 -43.7 9.5 -9.6 13.5 341 493 A E H > S+ 0 0 88 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.836 108.5 52.1 -66.3 -34.5 5.8 -9.9 12.3 342 494 A I H X S+ 0 0 0 -4,-1.1 4,-1.6 -3,-0.4 -2,-0.2 0.946 110.9 46.7 -65.9 -49.7 5.7 -6.1 11.5 343 495 A F H <>S+ 0 0 2 -4,-2.4 5,-2.6 1,-0.2 4,-0.5 0.922 112.6 50.8 -58.2 -43.1 8.9 -6.5 9.4 344 496 A A H ><5S+ 0 0 72 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.907 107.6 52.4 -61.4 -42.6 7.4 -9.6 7.7 345 497 A H H 3<5S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.844 111.4 48.2 -58.9 -35.2 4.2 -7.7 6.9 346 498 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.467 114.4-117.5 -83.0 -7.5 6.4 -4.9 5.2 347 499 A G T < 5 + 0 0 49 -3,-1.2 2,-0.4 -4,-0.5 -3,-0.2 0.797 69.6 138.4 71.4 30.0 8.4 -7.4 3.2 348 500 A L < - 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