==== 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 21-NOV-12 4I2J . COMPND 2 MOLECULE: DNA NUCLEOTIDYLEXOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.GOUGE,M.DELARUE . 353 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.9 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 . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 36.8 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 1 2 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 0 157 0, 0.0 2,-0.2 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 115.1 48.5 40.4 50.7 2 150 A I - 0 0 68 63,-0.3 2,-0.1 1,-0.1 7,-0.1 -0.494 360.0-124.1 -68.4 127.6 47.9 42.3 54.0 3 151 A S - 0 0 26 5,-0.4 -1,-0.1 -2,-0.2 5,-0.1 -0.432 4.7-133.0 -74.5 151.8 44.2 43.3 54.4 4 152 A Q S S+ 0 0 83 -2,-0.1 2,-0.4 62,-0.1 -1,-0.1 0.592 88.5 84.4 -74.1 -14.4 43.1 46.9 54.9 5 153 A Y S > S- 0 0 11 1,-0.1 3,-1.7 3,-0.1 -2,-0.2 -0.832 70.1-150.1 -99.4 129.5 40.9 45.6 57.8 6 154 A A G > S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.3 295,-0.1 0.782 99.8 64.1 -61.5 -30.5 42.3 45.1 61.4 7 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 294,-0.2 339,-0.1 0.574 102.4 50.0 -71.5 -10.6 39.7 42.2 61.8 8 156 A Q G < S+ 0 0 86 -3,-1.7 -5,-0.4 337,-0.1 2,-0.3 0.133 106.6 70.7-110.1 16.8 41.6 40.4 58.9 9 157 A R S < S- 0 0 11 -3,-1.5 2,-0.6 343,-0.1 346,-0.1 -0.938 76.4-129.7-129.8 152.4 45.1 40.9 60.6 10 158 A R - 0 0 125 -2,-0.3 2,-0.6 42,-0.2 343,-0.2 -0.923 26.6-175.3-104.6 115.2 46.7 39.4 63.7 11 159 A T B +a 353 0A 0 341,-2.5 343,-2.3 -2,-0.6 2,-0.2 -0.918 6.5 176.8-119.4 103.3 48.1 42.2 65.9 12 160 A T - 0 0 59 -2,-0.6 340,-0.1 39,-0.2 177,-0.1 -0.460 48.7-100.0 -97.5 170.9 50.1 41.0 68.9 13 161 A L S S+ 0 0 97 338,-0.3 2,-1.6 175,-0.2 339,-0.1 0.501 98.7 101.1 -72.4 -2.5 52.0 43.1 71.6 14 162 A N + 0 0 96 38,-0.0 2,-0.7 2,-0.0 -2,-0.2 -0.586 56.7 178.1 -82.9 69.8 55.2 42.2 69.5 15 163 A N + 0 0 41 -2,-1.6 3,-0.4 1,-0.1 36,-0.1 -0.773 19.3 178.4 -84.9 116.5 55.5 45.6 67.7 16 164 A Y S S+ 0 0 114 -2,-0.7 3,-0.2 37,-0.5 -1,-0.1 0.454 78.8 54.1 -91.3 -3.4 58.6 45.9 65.4 17 165 A N >> + 0 0 2 39,-0.1 4,-2.8 1,-0.1 3,-0.7 -0.036 58.7 131.1-126.4 34.6 57.6 49.4 64.2 18 166 A Q H 3> S+ 0 0 111 -3,-0.4 4,-2.6 1,-0.2 5,-0.3 0.767 71.0 62.8 -58.7 -29.7 57.2 51.4 67.5 19 167 A L H 3> S+ 0 0 108 2,-0.2 4,-0.8 -3,-0.2 -1,-0.2 0.922 114.8 32.5 -62.9 -40.7 59.5 54.2 66.0 20 168 A F H <> S+ 0 0 12 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.925 120.8 49.8 -78.7 -49.2 56.9 54.8 63.2 21 169 A T H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 -3,-0.2 0.796 106.5 54.1 -64.0 -36.7 53.8 53.9 65.3 22 170 A D H X S+ 0 0 75 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.931 112.7 45.2 -65.6 -40.2 54.6 56.2 68.3 23 171 A A H X S+ 0 0 6 -4,-0.8 4,-2.1 -5,-0.3 -2,-0.2 0.918 114.8 47.1 -64.5 -47.1 55.0 59.1 65.9 24 172 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.860 110.1 53.6 -65.0 -35.7 51.7 58.2 64.0 25 173 A D H X S+ 0 0 55 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.850 109.5 48.4 -67.2 -35.5 49.9 57.8 67.3 26 174 A I H X S+ 0 0 32 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.913 113.3 47.0 -69.0 -44.4 51.0 61.4 68.4 27 175 A L H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.905 113.4 48.8 -65.4 -39.6 49.9 62.9 65.1 28 176 A A H X S+ 0 0 4 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.902 111.5 49.9 -64.3 -43.1 46.5 61.0 65.3 29 177 A E H X S+ 0 0 81 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.868 110.4 49.9 -64.1 -40.8 46.1 62.2 68.9 30 178 A N H X S+ 0 0 38 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.890 109.5 50.5 -65.6 -40.7 46.8 65.9 67.9 31 179 A D H <>S+ 0 0 18 -4,-1.9 5,-2.9 2,-0.2 -1,-0.2 0.815 109.4 52.5 -65.6 -31.6 44.3 65.6 65.0 32 180 A E H ><5S+ 0 0 95 -4,-1.6 3,-1.2 3,-0.2 -2,-0.2 0.929 112.1 44.9 -66.7 -46.5 41.7 64.2 67.6 33 181 A L H 3<5S+ 0 0 31 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.850 111.8 51.1 -65.6 -38.3 42.3 67.3 69.8 34 182 A R T 3<5S- 0 0 56 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.311 116.4-117.9 -83.2 8.5 42.2 69.7 66.8 35 183 A E T < 5 + 0 0 147 -3,-1.2 2,-1.2 1,-0.2 -3,-0.2 0.656 69.1 142.1 59.6 25.8 38.8 68.0 65.9 36 184 A N >< + 0 0 78 -5,-2.9 4,-2.0 1,-0.2 -1,-0.2 -0.694 19.7 170.7 -93.6 78.1 40.3 66.8 62.5 37 185 A E H > S+ 0 0 69 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.830 70.8 53.6 -59.5 -39.0 38.5 63.4 62.5 38 186 A G H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 112.0 41.4 -64.6 -47.9 39.5 62.5 58.9 39 187 A S H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.867 113.7 55.7 -69.1 -35.2 43.3 63.1 59.3 40 188 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.930 108.2 48.0 -59.2 -49.6 43.0 61.3 62.8 41 189 A L H X S+ 0 0 33 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.873 109.7 52.5 -59.2 -44.2 41.5 58.2 61.0 42 190 A A H X S+ 0 0 57 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.899 112.7 43.7 -62.3 -43.3 44.1 58.2 58.3 43 191 A F H X S+ 0 0 22 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.857 112.8 53.1 -69.5 -37.2 47.0 58.2 60.9 44 192 A M H X S+ 0 0 35 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.872 109.4 47.9 -66.3 -38.3 45.2 55.6 63.1 45 193 A R H X S+ 0 0 93 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.871 113.9 47.1 -68.8 -39.2 44.8 53.1 60.1 46 194 A A H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.926 113.7 47.2 -68.1 -47.5 48.5 53.5 59.1 47 195 A S H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.926 112.2 52.5 -58.3 -45.9 49.7 53.1 62.7 48 196 A S H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.903 108.9 47.4 -57.1 -50.3 47.4 50.0 63.0 49 197 A V H >X S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 4,-0.5 0.889 110.9 51.5 -64.5 -39.6 48.7 48.2 59.9 50 198 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -34,-0.3 0.892 103.0 59.6 -65.1 -36.6 52.4 48.8 60.9 51 199 A K H 3< S+ 0 0 45 -4,-2.0 -39,-0.2 1,-0.3 -1,-0.2 0.766 102.3 55.2 -59.2 -27.9 51.6 47.3 64.3 52 200 A S H << S+ 0 0 27 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.605 83.2 111.4 -81.1 -17.4 50.6 44.0 62.5 53 201 A L << - 0 0 5 -3,-1.3 -37,-0.5 -4,-0.5 -36,-0.1 -0.328 61.4-147.0 -63.0 140.6 53.9 43.6 60.6 54 202 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.310 82.5 41.0 -87.9 8.5 56.2 40.7 61.5 55 203 A F S S- 0 0 75 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.993 88.1-101.1-149.2 157.1 59.3 42.8 60.7 56 204 A P - 0 0 61 0, 0.0 2,-0.3 0, 0.0 -39,-0.1 -0.587 36.1-116.8 -82.9 141.6 60.7 46.4 61.1 57 205 A I + 0 0 6 -2,-0.3 3,-0.1 1,-0.2 -37,-0.1 -0.589 41.3 164.8 -71.3 127.8 60.5 48.8 58.1 58 206 A T + 0 0 102 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.502 62.7 19.5-122.8 -9.3 64.2 49.7 57.3 59 207 A S S > S- 0 0 44 1,-0.0 3,-0.9 0, 0.0 -1,-0.3 -0.956 79.4-107.7-152.4 162.3 63.7 51.3 53.8 60 208 A M G > S+ 0 0 61 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.806 116.0 66.6 -65.0 -27.4 60.8 52.9 51.7 61 209 A K G > S+ 0 0 78 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.831 90.0 65.5 -60.2 -33.7 60.9 49.7 49.5 62 210 A D G < S+ 0 0 50 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.681 93.2 61.2 -62.4 -20.5 59.6 47.7 52.5 63 211 A T G X S+ 0 0 5 -3,-1.6 3,-1.8 -4,-0.3 -1,-0.3 0.563 75.3 118.2 -85.8 -10.2 56.3 49.7 52.4 64 212 A E T < S+ 0 0 80 -3,-1.6 -3,-0.0 1,-0.3 0, 0.0 -0.379 83.0 12.0 -62.5 128.1 55.4 48.5 48.9 65 213 A G T 3 S+ 0 0 76 1,-0.3 -63,-0.3 -2,-0.1 -1,-0.3 0.298 93.8 125.9 87.0 -6.9 52.1 46.5 48.9 66 214 A I < - 0 0 17 -3,-1.8 3,-0.5 -65,-0.1 -1,-0.3 -0.728 54.7-137.2 -84.6 124.8 51.2 47.6 52.5 67 215 A P S S+ 0 0 30 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.254 76.4 37.8 -76.9 173.0 47.7 49.2 52.5 68 216 A C S S+ 0 0 40 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.667 78.8 125.4 63.5 24.1 46.5 52.4 54.4 69 217 A L - 0 0 16 -3,-0.5 -1,-0.1 -6,-0.1 -26,-0.1 -0.805 38.5-178.8-116.3 84.8 49.8 54.2 53.6 70 218 A G > - 0 0 44 -2,-0.6 4,-2.5 -28,-0.1 5,-0.2 -0.128 44.9 -92.2 -72.3 175.7 48.9 57.5 51.9 71 219 A D H > S+ 0 0 150 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.893 125.9 51.2 -60.4 -43.1 51.4 60.1 50.7 72 220 A K H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.936 113.1 45.8 -61.0 -45.7 51.3 62.1 54.0 73 221 A V H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 111.0 52.8 -62.9 -42.5 52.0 58.9 56.0 74 222 A K H X S+ 0 0 67 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.849 106.0 54.1 -65.4 -32.3 54.8 57.8 53.6 75 223 A S H X S+ 0 0 45 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.887 109.6 47.9 -66.4 -38.3 56.5 61.3 54.0 76 224 A I H X S+ 0 0 8 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.934 112.4 48.0 -66.7 -46.7 56.5 60.7 57.8 77 225 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.922 111.1 52.0 -57.9 -47.7 57.9 57.1 57.4 78 226 A E H X S+ 0 0 121 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.884 108.9 50.1 -56.7 -44.2 60.6 58.5 55.0 79 227 A G H X S+ 0 0 19 -4,-1.9 4,-1.4 2,-0.2 6,-0.5 0.824 110.6 48.9 -64.6 -35.8 61.6 61.2 57.6 80 228 A I H X S+ 0 0 3 -4,-1.6 4,-2.5 -3,-0.3 -2,-0.2 0.881 109.9 51.4 -72.9 -40.0 61.9 58.7 60.4 81 229 A I H < S+ 0 0 63 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.885 106.8 59.3 -60.7 -39.2 64.1 56.3 58.2 82 230 A E H < S- 0 0 162 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.903 134.0 -9.2 -57.6 -55.6 66.3 59.4 57.5 83 231 A D H < S- 0 0 115 -4,-1.4 -2,-0.2 2,-0.4 -1,-0.2 0.167 94.6-101.7-138.0 20.1 67.4 60.3 61.1 84 232 A G S < S+ 0 0 38 -4,-2.5 2,-0.3 1,-0.2 -4,-0.2 0.469 93.0 91.1 72.5 6.6 65.3 58.1 63.5 85 233 A E S S- 0 0 35 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.941 70.4-132.3-133.5 154.1 63.0 60.9 64.4 86 234 A S > - 0 0 9 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.925 10.6-166.4-104.3 113.4 59.7 62.5 63.2 87 235 A S H > S+ 0 0 90 -2,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.865 92.1 53.3 -66.2 -33.3 60.0 66.3 62.8 88 236 A E H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.910 112.0 42.4 -66.8 -46.6 56.2 66.4 62.6 89 237 A A H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.855 112.5 55.1 -69.3 -35.4 55.6 64.4 65.9 90 238 A K H X S+ 0 0 136 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.901 107.1 49.8 -63.5 -42.3 58.4 66.4 67.6 91 239 A A H X S+ 0 0 64 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.845 110.4 50.8 -63.7 -37.0 56.7 69.7 66.7 92 240 A V H >< S+ 0 0 14 -4,-1.3 3,-1.0 2,-0.2 7,-0.2 0.921 106.6 54.0 -67.2 -44.6 53.3 68.3 68.2 93 241 A L H 3< S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.758 113.4 43.3 -61.0 -26.5 55.1 67.3 71.5 94 242 A N H 3< S+ 0 0 116 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.511 88.2 112.2 -98.2 -8.6 56.4 70.9 71.8 95 243 A D S+ 0 0 98 -2,-0.2 4,-2.2 2,-0.2 5,-0.1 0.833 99.0 50.3 -66.5 -35.8 51.4 74.4 73.8 97 245 A R H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 112.8 47.2 -68.2 -44.5 47.8 73.5 72.8 98 246 A Y H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.932 113.3 48.0 -61.1 -48.7 48.7 69.8 72.4 99 247 A K H X S+ 0 0 87 -4,-2.4 4,-2.4 -7,-0.2 -1,-0.2 0.915 114.7 46.1 -58.2 -46.5 50.5 69.8 75.8 100 248 A S H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.886 112.8 48.8 -64.1 -44.5 47.6 71.6 77.6 101 249 A F H X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.922 113.3 47.0 -65.3 -40.6 44.9 69.3 76.0 102 250 A K H X S+ 0 0 101 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.927 117.0 44.4 -62.2 -48.1 46.9 66.1 77.0 103 251 A L H < S+ 0 0 59 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.914 116.8 43.7 -64.4 -48.3 47.5 67.4 80.5 104 252 A F H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.931 113.6 49.2 -68.5 -42.9 43.9 68.7 81.1 105 253 A T H 3< S+ 0 0 59 -4,-2.4 5,-0.2 1,-0.3 -1,-0.2 0.652 93.4 76.9 -74.0 -10.3 42.1 65.6 79.6 106 254 A S T 3< S+ 0 0 54 -4,-0.9 2,-0.4 -3,-0.3 -1,-0.3 0.629 79.6 90.7 -69.5 -12.6 44.4 63.3 81.8 107 255 A V S X S- 0 0 3 -3,-1.6 3,-1.9 -4,-0.2 2,-0.3 -0.710 92.5-114.6 -85.2 130.0 42.0 64.4 84.7 108 256 A F T 3 S+ 0 0 34 -2,-0.4 36,-0.5 36,-0.3 37,-0.1 -0.550 104.8 26.4 -66.7 122.6 39.0 62.1 85.1 109 257 A G T 3 S+ 0 0 24 -2,-0.3 2,-0.6 1,-0.2 32,-0.3 0.346 95.8 109.4 103.2 -1.6 35.9 64.2 84.2 110 258 A V < + 0 0 8 -3,-1.9 -1,-0.2 -5,-0.2 2,-0.1 -0.943 41.6 171.2-112.6 116.9 37.7 66.6 81.8 111 259 A G > - 0 0 34 -2,-0.6 4,-2.5 -3,-0.1 5,-0.2 -0.349 51.7 -74.3-107.3-170.7 37.0 66.4 78.1 112 260 A L H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.846 126.0 52.7 -55.1 -44.5 37.8 68.4 75.0 113 261 A K H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 113.9 40.5 -61.2 -50.8 35.2 71.2 75.8 114 262 A T H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 114.9 52.9 -67.2 -41.7 36.5 71.9 79.3 115 263 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.914 112.2 45.5 -59.4 -43.9 40.2 71.5 78.2 116 264 A E H X S+ 0 0 21 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.877 111.8 52.4 -64.9 -41.8 39.6 74.1 75.4 117 265 A K H X S+ 0 0 44 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.925 112.3 44.2 -59.9 -49.2 37.7 76.5 77.8 118 266 A W H <>S+ 0 0 10 -4,-2.6 5,-2.3 2,-0.2 4,-0.4 0.881 112.0 53.0 -65.7 -40.5 40.6 76.4 80.4 119 267 A F H ><5S+ 0 0 48 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.934 109.8 48.0 -60.6 -46.2 43.3 76.9 77.7 120 268 A R H 3<5S+ 0 0 220 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.680 105.4 59.1 -71.7 -15.3 41.4 80.0 76.3 121 269 A M T 3<5S- 0 0 107 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.591 125.3-105.8 -83.7 -11.8 41.2 81.4 79.9 122 270 A G T < 5 + 0 0 50 -3,-1.5 -3,-0.2 -4,-0.4 2,-0.2 0.478 70.0 146.4 99.0 9.9 45.0 81.2 79.9 123 271 A F < + 0 0 28 -5,-2.3 -1,-0.3 1,-0.1 -2,-0.1 -0.554 13.9 163.3 -78.3 143.0 45.5 78.2 82.2 124 272 A R + 0 0 102 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.409 58.9 50.2-133.4 -13.8 48.6 75.9 81.5 125 273 A T > - 0 0 63 1,-0.1 4,-1.3 -22,-0.0 -1,-0.2 -0.962 69.9-130.9-131.6 154.1 49.0 73.8 84.7 126 274 A L H > S+ 0 0 16 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.821 108.0 61.8 -70.3 -30.3 46.7 71.7 86.9 127 275 A S H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.899 105.8 45.6 -60.4 -43.7 48.1 73.5 90.0 128 276 A K H > S+ 0 0 138 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.827 115.0 48.2 -70.5 -31.7 46.7 76.9 88.7 129 277 A I H >< S+ 0 0 0 -4,-1.3 3,-0.8 2,-0.2 -2,-0.2 0.957 113.0 46.6 -71.3 -52.0 43.3 75.2 87.8 130 278 A Q H 3< S+ 0 0 99 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.760 115.0 46.1 -60.4 -35.8 42.9 73.5 91.2 131 279 A S H 3< S+ 0 0 67 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.581 84.7 115.2 -87.5 -10.7 43.8 76.6 93.2 132 280 A D << - 0 0 54 -3,-0.8 -3,-0.0 -4,-0.6 -4,-0.0 -0.333 52.4-157.9 -63.5 134.9 41.6 79.0 91.2 133 281 A K S S+ 0 0 195 1,-0.1 -1,-0.1 -2,-0.0 -4,-0.0 0.493 87.6 52.9 -94.0 -5.2 38.7 80.4 93.3 134 282 A S S S+ 0 0 109 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.713 86.8 96.7 -99.0 -29.0 36.4 81.3 90.3 135 283 A L - 0 0 31 -6,-0.2 2,-0.4 1,-0.0 -6,-0.0 -0.322 60.8-149.9 -66.2 142.8 36.3 77.9 88.6 136 284 A R - 0 0 224 -2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.957 11.4-154.1-115.4 133.2 33.5 75.4 89.3 137 285 A F - 0 0 47 -2,-0.4 2,-0.1 3,-0.0 0, 0.0 -0.869 11.5-127.6-114.5 145.2 34.1 71.7 89.1 138 286 A T > - 0 0 74 -2,-0.4 4,-2.2 -29,-0.1 5,-0.1 -0.351 35.2-106.8 -74.5 164.0 31.7 68.7 88.4 139 287 A Q H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.861 123.5 53.4 -60.8 -34.9 31.6 65.8 90.9 140 288 A M H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 110.1 46.1 -64.3 -46.4 33.5 63.7 88.3 141 289 A Q H > S+ 0 0 11 -32,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.860 108.1 56.8 -65.9 -38.8 36.3 66.4 88.1 142 290 A K H X S+ 0 0 105 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.929 112.8 41.3 -56.3 -48.3 36.4 66.7 91.9 143 291 A A H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.891 112.0 56.5 -66.2 -41.1 37.2 63.0 92.1 144 292 A G H < S+ 0 0 1 -4,-2.5 -36,-0.3 -36,-0.5 -2,-0.2 0.862 114.5 38.1 -57.5 -41.8 39.5 63.3 89.1 145 293 A F H >< S+ 0 0 19 -4,-2.6 3,-0.9 2,-0.2 4,-0.3 0.872 114.9 52.9 -76.8 -42.5 41.6 66.0 91.0 146 294 A L H 3< S+ 0 0 126 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.853 123.5 27.9 -62.5 -39.1 41.3 64.3 94.5 147 295 A Y T 3X S+ 0 0 40 -4,-2.4 4,-2.4 1,-0.1 3,-0.3 0.082 86.6 125.0-110.6 21.9 42.6 60.9 93.2 148 296 A Y H <> S+ 0 0 41 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 0.848 70.2 48.7 -49.0 -55.8 44.7 62.3 90.3 149 297 A E H > S+ 0 0 153 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.875 114.7 46.2 -59.9 -39.8 48.2 60.8 91.2 150 298 A D H 4 S+ 0 0 32 -3,-0.3 3,-0.4 1,-0.2 -1,-0.2 0.905 114.3 47.1 -68.2 -43.5 46.6 57.3 91.7 151 299 A L H < S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.771 110.4 51.6 -73.5 -25.6 44.6 57.5 88.4 152 300 A V H < S+ 0 0 60 -4,-2.2 2,-0.3 -5,-0.2 -1,-0.2 0.674 95.6 84.8 -82.4 -16.9 47.6 58.8 86.3 153 301 A S S < S- 0 0 63 -4,-0.9 2,-0.1 -3,-0.4 0, 0.0 -0.639 94.7-108.3 -79.9 134.9 49.7 55.8 87.7 154 302 A C - 0 0 59 -2,-0.3 2,-0.4 1,-0.1 40,-0.2 -0.441 22.3-123.4 -71.9 142.9 49.1 52.7 85.5 155 303 A V E -B 193 0B 4 38,-2.8 38,-1.6 -4,-0.1 2,-0.1 -0.708 31.2-154.0 -77.5 128.9 47.0 49.8 86.9 156 304 A N E > -B 192 0B 55 -2,-0.4 4,-2.4 36,-0.2 36,-0.2 -0.449 28.4 -97.9 -99.9 177.5 49.1 46.6 86.7 157 305 A R H > S+ 0 0 129 34,-0.7 4,-2.9 2,-0.2 5,-0.3 0.948 121.5 53.2 -66.3 -46.8 47.9 42.9 86.4 158 306 A P H > S+ 0 0 42 0, 0.0 4,-1.5 0, 0.0 107,-0.4 0.886 113.8 45.3 -53.2 -41.0 48.2 42.0 90.2 159 307 A E H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 112.1 51.0 -64.0 -47.5 46.0 45.2 90.9 160 308 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.890 111.5 48.3 -57.5 -42.3 43.5 44.2 88.1 161 309 A E H X S+ 0 0 101 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.832 109.1 52.5 -67.4 -35.4 43.3 40.7 89.6 162 310 A A H X S+ 0 0 5 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.885 111.1 47.5 -67.5 -37.4 42.7 42.2 93.1 163 311 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.925 107.8 56.2 -67.2 -43.8 39.9 44.3 91.6 164 312 A S H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.874 106.5 51.0 -54.6 -41.9 38.5 41.2 89.9 165 313 A M H X S+ 0 0 87 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.922 110.2 48.3 -61.1 -47.4 38.3 39.4 93.3 166 314 A L H X S+ 0 0 12 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.917 114.2 46.5 -59.0 -47.1 36.4 42.4 94.8 167 315 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.944 115.1 45.8 -62.3 -52.5 33.9 42.5 91.8 168 316 A K H X S+ 0 0 87 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.935 112.5 50.9 -58.9 -48.7 33.3 38.7 91.9 169 317 A E H X S+ 0 0 101 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.865 116.1 41.6 -53.7 -46.5 32.9 38.7 95.7 170 318 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.2 3,-0.5 0.929 116.0 47.7 -68.5 -50.2 30.3 41.5 95.6 171 319 A V H >X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 3,-1.3 0.907 109.4 51.2 -59.8 -50.5 28.4 40.2 92.5 172 320 A V H 3< S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.712 98.8 68.6 -65.9 -19.9 28.0 36.5 93.7 173 321 A T H 3< S+ 0 0 88 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.838 117.7 22.1 -63.9 -34.4 26.6 37.8 97.1 174 322 A F H << S+ 0 0 82 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.2 0.750 140.8 25.6-105.4 -33.7 23.4 39.0 95.1 175 323 A L >< - 0 0 8 -4,-2.7 3,-1.8 -5,-0.1 -1,-0.2 -0.808 64.2-178.7-131.0 87.8 23.6 36.8 92.0 176 324 A P T 3 S+ 0 0 102 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.709 83.3 54.2 -65.9 -17.1 25.5 33.5 92.8 177 325 A D T 3 S+ 0 0 55 2,-0.1 -5,-0.1 -5,-0.0 2,-0.1 0.335 83.8 126.6 -93.1 4.2 25.1 32.2 89.2 178 326 A A < - 0 0 20 -3,-1.8 2,-0.5 24,-0.2 24,-0.2 -0.353 53.1-142.3 -69.7 144.0 26.6 35.3 87.6 179 327 A L E -C 201 0C 82 22,-3.3 22,-1.9 -2,-0.1 2,-0.5 -0.929 15.2-166.8-106.0 121.4 29.6 35.2 85.2 180 328 A V E -C 200 0C 24 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.974 7.2-177.6-114.9 121.9 32.2 38.0 85.6 181 329 A T E -C 199 0C 54 18,-2.7 18,-2.7 -2,-0.5 2,-0.4 -0.981 26.0-131.2-125.5 129.4 34.8 38.5 82.8 182 330 A M E +C 198 0C 28 -2,-0.4 16,-0.3 16,-0.2 2,-0.1 -0.647 37.8 175.8 -76.8 125.7 37.6 41.0 82.7 183 331 A T > + 0 0 1 14,-2.5 4,-0.9 -2,-0.4 3,-0.5 -0.189 32.5 54.8-111.6-154.6 37.5 42.7 79.3 184 332 A G H >> S- 0 0 5 111,-2.0 4,-0.9 1,-0.2 3,-0.7 -0.118 112.5 -21.0 64.5-157.1 39.4 45.6 77.7 185 333 A G H 34>S+ 0 0 18 1,-0.2 5,-2.2 2,-0.2 3,-0.5 0.783 133.0 59.6 -52.5 -42.0 43.2 45.7 77.3 186 334 A F H >45S+ 0 0 27 -3,-0.5 3,-1.5 1,-0.2 -1,-0.2 0.892 103.0 52.7 -61.7 -36.9 43.9 43.2 80.1 187 335 A R H <<5S+ 0 0 66 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.797 105.8 55.8 -67.2 -25.6 41.8 40.5 78.2 188 336 A R T 3<5S- 0 0 35 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.380 129.3 -98.8 -86.9 4.0 44.1 41.3 75.1 189 337 A G T < 5 + 0 0 35 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.493 66.6 159.4 93.1 8.3 47.2 40.5 77.2 190 338 A K < - 0 0 75 -5,-2.2 -1,-0.2 1,-0.1 3,-0.0 -0.341 37.9-147.0 -65.8 143.7 48.3 44.0 78.3 191 339 A M S S+ 0 0 127 -35,-0.1 -34,-0.7 1,-0.0 2,-0.3 0.699 81.9 23.8 -79.7 -27.3 50.6 44.4 81.4 192 340 A T E +B 156 0B 60 -36,-0.2 2,-0.3 -35,-0.1 -36,-0.2 -0.903 62.3 177.3-135.4 167.5 49.0 47.7 82.3 193 341 A G E -B 155 0B 15 -38,-1.6 -38,-2.8 -2,-0.3 3,-0.1 -0.973 39.1-121.9-163.2 161.5 45.9 49.8 81.8 194 342 A H S S- 0 0 160 -2,-0.3 83,-0.4 -40,-0.2 2,-0.2 0.704 97.7 -4.0 -79.1 -23.2 44.3 53.1 82.8 195 343 A D S S- 0 0 31 -40,-0.1 2,-0.4 81,-0.1 83,-0.2 -0.884 72.1-107.6-153.6-179.9 41.3 51.2 84.3 196 344 A V E - d 0 278C 0 81,-1.7 83,-2.3 -2,-0.2 2,-0.4 -0.996 31.0-161.7-125.9 122.8 39.8 47.7 84.8 197 345 A D E - d 0 279C 21 -2,-0.4 -14,-2.5 -14,-0.4 2,-0.3 -0.878 7.2-173.0-109.8 142.3 36.7 46.7 82.8 198 346 A F E -Cd 182 280C 1 81,-2.2 83,-1.7 -2,-0.4 2,-0.5 -0.982 17.4-149.6-136.3 145.4 34.3 43.8 83.5 199 347 A L E -Cd 181 281C 6 -18,-2.7 -18,-2.7 -2,-0.3 2,-0.4 -0.950 17.8-167.0-112.5 128.1 31.3 42.2 81.8 200 348 A I E +Cd 180 282C 1 81,-3.2 83,-2.0 -2,-0.5 2,-0.3 -0.968 14.2 161.9-118.6 134.3 28.7 40.7 84.1 201 349 A T E -C 179 0C 6 -22,-1.9 -22,-3.3 -2,-0.4 -2,-0.0 -0.983 20.3-157.3-149.1 151.9 25.9 38.3 83.0 202 350 A S - 0 0 11 81,-0.5 83,-0.5 -2,-0.3 -24,-0.2 -0.979 11.1-155.1-135.2 124.0 23.6 35.9 84.6 203 351 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.770 98.3 31.4 -67.8 -23.5 21.8 32.9 82.9 204 352 A E S S+ 0 0 75 2,-0.0 -26,-0.0 -27,-0.0 -2,-0.0 0.602 88.6 114.2-109.8 -14.8 18.9 32.8 85.4 205 353 A A - 0 0 22 1,-0.1 80,-0.2 4,-0.1 -3,-0.1 -0.200 61.2-126.1 -60.1 147.3 18.4 36.5 86.5 206 354 A T > - 0 0 78 1,-0.1 4,-2.2 0, 0.0 5,-0.1 -0.294 30.7 -97.9 -82.0 175.9 15.1 38.3 85.6 207 355 A E H > S+ 0 0 74 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.889 128.2 43.7 -62.0 -39.6 15.0 41.7 83.8 208 356 A D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 111.9 51.6 -73.5 -41.6 14.5 43.4 87.2 209 357 A E H > S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.888 110.1 51.0 -61.1 -40.6 17.3 41.4 89.0 210 358 A E H < S+ 0 0 59 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.822 111.3 48.5 -62.7 -38.2 19.6 42.3 86.1 211 359 A Q H < S+ 0 0 48 -4,-1.2 4,-0.4 1,-0.2 3,-0.3 0.847 113.0 46.8 -71.4 -39.2 18.7 46.0 86.5 212 360 A Q H X S+ 0 0 102 -4,-2.0 4,-2.4 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