==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/DNA 15-DEC-09 3L2P . COMPND 2 MOLECULE: DNA LIGASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.COTNER-GOHARA,I.K.KIM,M.HAMMEL,J.A.TAINER,A.TOMKINSON, . 535 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 41 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 3 3 1 1 2 1 4 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 1 3 1 1 1 1 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 . 1 0 0 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 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 1 168 A H 0 0 163 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 48.5 33.3 -4.6 70.9 2 169 A M + 0 0 75 39,-0.0 113,-0.2 40,-0.0 112,-0.1 0.032 360.0 94.7-123.1 17.4 33.2 -2.7 67.6 3 170 A R + 0 0 92 110,-0.1 2,-0.1 3,-0.0 5,-0.0 0.218 49.5 116.8-106.9 11.8 34.8 -5.6 65.7 4 171 A H S > S- 0 0 53 1,-0.1 3,-1.5 -3,-0.0 4,-0.0 -0.378 76.7-108.7 -75.3 161.5 31.8 -7.5 64.3 5 172 A K G > S+ 0 0 58 1,-0.3 3,-1.8 2,-0.2 6,-0.4 0.801 113.0 67.7 -63.1 -32.0 31.2 -7.8 60.5 6 173 A D G 3 S+ 0 0 48 1,-0.3 -1,-0.3 5,-0.1 -3,-0.0 0.577 94.6 60.0 -68.2 -6.9 28.2 -5.4 60.4 7 174 A C G < S+ 0 0 5 -3,-1.5 107,-3.7 34,-0.1 2,-0.4 0.335 82.0 109.7-103.4 8.8 30.6 -2.5 61.4 8 175 A L B X> S-A 113 0A 50 -3,-1.8 4,-2.7 105,-0.3 3,-0.6 -0.681 70.9-134.7 -92.5 133.4 32.8 -2.8 58.3 9 176 A L H 3> S+ 0 0 1 103,-2.4 4,-3.5 -2,-0.4 5,-0.2 0.847 108.7 63.5 -40.0 -40.2 33.0 -0.3 55.5 10 177 A R H 3> S+ 0 0 133 102,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.938 108.1 39.6 -56.6 -48.1 32.9 -3.4 53.2 11 178 A E H <> S+ 0 0 57 -3,-0.6 4,-3.0 -6,-0.4 -2,-0.2 0.917 113.6 54.5 -66.1 -45.5 29.4 -4.2 54.5 12 179 A F H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.919 110.3 46.7 -53.7 -45.3 28.4 -0.6 54.6 13 180 A R H X S+ 0 0 49 -4,-3.5 4,-3.6 2,-0.2 5,-0.3 0.941 108.1 55.9 -64.7 -44.8 29.3 -0.4 50.9 14 181 A K H X S+ 0 0 94 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.927 109.4 48.4 -45.9 -51.7 27.5 -3.6 50.2 15 182 A L H X S+ 0 0 5 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.902 113.8 45.1 -57.8 -46.9 24.5 -1.9 51.7 16 183 A C H X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.873 112.3 50.9 -67.4 -39.1 24.9 1.2 49.6 17 184 A A H X S+ 0 0 44 -4,-3.6 4,-1.6 2,-0.2 -1,-0.2 0.881 111.3 49.3 -66.7 -37.4 25.6 -0.7 46.4 18 185 A M H < S+ 0 0 115 -4,-2.5 3,-0.3 -5,-0.3 -2,-0.2 0.966 109.6 48.6 -67.4 -53.8 22.4 -2.8 46.9 19 186 A V H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.860 113.2 49.0 -53.4 -41.9 20.1 0.1 47.6 20 187 A A H 3< S+ 0 0 35 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.825 106.9 54.6 -68.6 -33.4 21.3 2.0 44.6 21 188 A D T 3< S+ 0 0 130 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.265 99.4 74.3 -87.3 18.1 21.0 -1.0 42.3 22 189 A N < - 0 0 57 -3,-1.0 6,-0.2 140,-0.2 -1,-0.2 -0.825 61.1-169.6-138.4 98.5 17.4 -1.3 43.3 23 190 A P + 0 0 109 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.708 61.8 86.3 -70.4 -29.0 14.9 1.2 41.9 24 191 A S > - 0 0 54 1,-0.2 4,-2.2 2,-0.0 3,-0.4 -0.620 64.8-152.6 -72.2 120.4 11.8 0.5 43.9 25 192 A Y H > S+ 0 0 116 -2,-0.5 4,-2.7 1,-0.2 5,-0.4 0.895 93.8 65.0 -55.9 -42.1 11.8 2.5 47.2 26 193 A N H > S+ 0 0 136 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.900 109.7 37.1 -47.6 -48.0 9.6 -0.2 48.8 27 194 A T H > S+ 0 0 53 -3,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.835 109.9 62.3 -78.8 -33.0 12.5 -2.7 48.4 28 195 A K H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.970 109.9 40.7 -51.7 -55.7 15.2 -0.2 49.1 29 196 A T H X S+ 0 0 20 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.904 113.0 55.7 -65.4 -36.6 13.9 0.3 52.6 30 197 A Q H X S+ 0 0 92 -4,-1.5 4,-2.8 -5,-0.4 -1,-0.2 0.930 104.9 53.3 -55.0 -48.7 13.2 -3.4 52.8 31 198 A I H X S+ 0 0 33 -4,-3.3 4,-2.3 1,-0.2 3,-0.4 0.973 112.0 43.5 -49.9 -65.3 16.9 -4.0 52.0 32 199 A I H X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.890 112.7 55.3 -45.5 -49.5 18.1 -1.7 54.9 33 200 A Q H X S+ 0 0 44 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.908 107.0 47.7 -54.1 -49.8 15.4 -3.3 57.2 34 201 A D H >X S+ 0 0 74 -4,-2.8 4,-3.5 -3,-0.4 3,-2.1 0.972 112.7 50.2 -55.5 -55.3 16.7 -6.8 56.6 35 202 A F H 3< S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.896 109.5 49.6 -51.1 -49.7 20.2 -5.7 57.2 36 203 A L H 3< S+ 0 0 48 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.573 121.8 36.3 -67.2 -7.2 19.3 -3.9 60.5 37 204 A R H << S+ 0 0 165 -3,-2.1 -2,-0.2 -4,-0.6 -1,-0.2 0.773 130.4 17.4-113.7 -38.2 17.4 -7.0 61.6 38 205 A K < 0 0 195 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.888 360.0 360.0-101.4 -69.8 19.4 -10.1 60.4 39 206 A G 0 0 60 -5,-0.3 -4,-0.2 -34,-0.0 -3,-0.1 0.311 360.0 360.0 146.0 360.0 23.0 -9.2 59.4 40 ! 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 41 214 A G 0 0 69 0, 0.0 2,-0.3 0, 0.0 -34,-0.1 0.000 360.0 360.0 360.0 142.7 26.4 -4.2 64.7 42 215 A D > - 0 0 58 1,-0.1 4,-1.3 -40,-0.1 5,-0.1 -0.396 360.0-174.1 -77.0 122.0 25.9 -0.5 65.4 43 216 A V H > S+ 0 0 42 -2,-0.3 4,-2.0 2,-0.2 5,-0.3 0.958 79.5 51.5 -80.9 -57.0 22.5 1.0 64.7 44 217 A Y H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 113.3 46.8 -45.5 -45.7 22.9 4.7 65.2 45 218 A L H > S+ 0 0 11 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.846 107.9 50.6 -77.6 -35.3 25.9 4.8 62.9 46 219 A T H X S+ 0 0 6 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.919 115.3 45.1 -67.2 -39.8 24.7 2.8 59.9 47 220 A V H X S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.888 116.2 47.0 -69.4 -38.1 21.5 5.0 59.8 48 221 A K H >< S+ 0 0 48 -4,-2.0 3,-1.7 -5,-0.3 7,-0.3 0.953 114.2 45.1 -66.1 -50.1 23.5 8.1 60.3 49 222 A L H 3< S+ 0 0 11 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.818 105.7 63.5 -67.0 -25.9 26.1 7.2 57.7 50 223 A L H 3< S+ 0 0 3 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.750 105.7 47.5 -67.7 -19.0 23.2 6.2 55.5 51 224 A L XX + 0 0 4 -3,-1.7 4,-2.7 -4,-0.5 3,-1.9 -0.367 58.2 149.5-120.9 57.3 22.0 9.9 55.6 52 225 A P T 34 S+ 0 0 18 0, 0.0 5,-0.4 0, 0.0 -1,-0.1 0.703 79.9 50.5 -57.5 -20.1 25.1 12.1 54.8 53 226 A G T 34 S+ 0 0 38 -3,-0.2 3,-0.2 3,-0.1 -2,-0.1 0.419 116.1 38.5 -98.8 1.1 22.7 14.7 53.3 54 227 A V T <4 S+ 0 0 35 -3,-1.9 2,-0.9 1,-0.2 -1,-0.1 0.681 118.6 44.1-120.9 -43.6 20.3 14.9 56.1 55 228 A I S < S- 0 0 46 -4,-2.7 2,-0.3 -7,-0.3 -1,-0.2 -0.799 94.1-166.0-102.1 83.4 22.6 14.7 59.1 56 229 A K - 0 0 117 -2,-0.9 2,-0.4 -3,-0.2 -3,-0.1 -0.553 20.5-171.8 -87.5 133.6 25.1 17.2 57.6 57 230 A T - 0 0 35 -5,-0.4 2,-0.5 -2,-0.3 101,-0.1 -0.983 25.4-129.4-112.7 133.0 28.6 17.8 58.7 58 231 A V + 0 0 91 -2,-0.4 98,-0.0 1,-0.1 -2,-0.0 -0.740 31.5 168.9 -81.7 121.2 30.5 20.7 57.1 59 232 A Y - 0 0 16 -2,-0.5 -1,-0.1 97,-0.2 3,-0.1 0.543 40.4-131.6-105.6 -10.4 34.0 19.8 55.8 60 233 A N S S+ 0 0 111 1,-0.3 2,-0.3 5,-0.0 -2,-0.1 0.770 70.7 117.4 60.9 24.3 34.8 22.9 53.8 61 234 A L + 0 0 16 95,-0.2 2,-0.3 4,-0.1 -1,-0.3 -0.878 33.1 157.4-115.3 153.5 35.8 20.6 50.9 62 235 A N > - 0 0 81 -2,-0.3 4,-2.1 -3,-0.1 5,-0.4 -0.969 59.7 -65.0-162.8 172.9 34.3 20.3 47.4 63 236 A D H > S+ 0 0 11 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.754 128.4 48.1 -27.4 -59.6 35.2 19.1 43.9 64 237 A K H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.939 117.5 35.8 -51.3 -68.5 37.8 21.8 43.5 65 238 A Q H > S+ 0 0 50 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.840 113.2 58.0 -56.3 -43.4 39.8 21.5 46.8 66 239 A I H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.896 109.1 46.9 -52.8 -44.5 39.5 17.7 47.0 67 240 A V H X S+ 0 0 11 -4,-2.0 4,-1.7 -3,-0.5 -2,-0.2 0.895 111.2 51.6 -66.6 -41.5 41.2 17.5 43.7 68 241 A K H X S+ 0 0 82 -4,-1.9 4,-0.8 -5,-0.2 3,-0.3 0.968 113.3 45.0 -58.3 -51.4 43.9 19.9 44.8 69 242 A L H X S+ 0 0 0 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.797 113.3 47.2 -70.8 -28.8 44.6 18.0 47.9 70 243 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.769 102.2 61.7 -87.4 -22.0 44.7 14.5 46.4 71 244 A S H X>S+ 0 0 14 -4,-1.7 5,-0.8 -3,-0.3 4,-0.8 0.730 106.0 52.7 -66.4 -22.6 46.9 15.5 43.5 72 245 A R H <5S+ 0 0 117 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.864 111.8 40.4 -80.5 -38.7 49.3 16.3 46.2 73 246 A I H <5S+ 0 0 22 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.800 119.2 47.3 -80.2 -26.2 49.1 13.0 48.0 74 247 A F H <5S- 0 0 2 -4,-2.2 30,-0.3 2,-0.1 -1,-0.2 0.679 100.2-135.0 -85.8 -19.4 49.1 11.0 44.7 75 248 A N T <5 + 0 0 82 -4,-0.8 2,-0.2 1,-0.2 -3,-0.2 0.730 62.6 124.4 68.1 29.8 52.0 13.0 43.2 76 249 A C S > - 0 0 87 -2,-0.2 3,-1.3 1,-0.1 4,-0.9 -0.592 28.1-154.8 -82.4 117.9 48.9 16.2 37.6 78 251 A P H 3> S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.562 88.8 69.5 -71.3 -8.2 45.9 18.1 38.8 79 252 A D H 3> S+ 0 0 118 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.850 96.0 52.6 -71.5 -36.1 44.9 19.1 35.2 80 253 A D H <> S+ 0 0 90 -3,-1.3 4,-1.9 1,-0.2 -1,-0.1 0.921 108.0 49.8 -69.1 -44.0 44.0 15.5 34.3 81 254 A M H X S+ 0 0 0 -4,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.848 106.4 57.7 -58.8 -36.6 41.7 15.1 37.3 82 255 A A H < S+ 0 0 44 -4,-1.1 4,-0.2 2,-0.2 3,-0.2 0.901 105.8 48.2 -65.3 -41.6 40.0 18.4 36.3 83 256 A R H >< S+ 0 0 189 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.878 110.6 53.1 -61.5 -39.4 39.1 17.0 32.9 84 257 A D H >< S+ 0 0 45 -4,-1.9 3,-1.5 1,-0.3 5,-0.3 0.731 93.9 69.8 -69.4 -23.8 37.8 14.0 34.7 85 258 A L G >< S+ 0 0 34 -4,-1.3 3,-0.8 1,-0.2 -1,-0.3 0.625 82.8 77.0 -64.6 -11.5 35.6 16.2 36.9 86 259 A E G < S+ 0 0 51 -3,-1.3 351,-1.7 1,-0.3 -1,-0.2 0.689 81.5 62.9 -79.1 -16.4 33.7 16.8 33.7 87 260 A Q G < S- 0 0 117 -3,-1.5 -1,-0.3 349,-0.2 346,-0.2 0.658 114.0-122.5 -76.9 -17.0 32.0 13.4 34.0 88 261 A G S < S+ 0 0 2 -3,-0.8 345,-1.4 -4,-0.3 2,-0.2 0.920 75.7 96.5 84.1 49.6 30.5 14.8 37.2 89 262 A D > - 0 0 30 -5,-0.3 4,-2.7 343,-0.1 5,-0.1 -0.615 41.9-172.1-166.7 103.4 31.5 12.6 40.1 90 263 A V H > S+ 0 0 7 2,-0.2 4,-3.8 1,-0.2 5,-0.2 0.898 88.4 59.7 -64.9 -41.8 34.5 13.3 42.3 91 264 A S H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 111.7 39.8 -52.8 -51.8 34.2 9.9 44.1 92 265 A E H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.956 113.7 55.9 -59.5 -49.1 34.7 8.1 40.8 93 266 A T H X S+ 0 0 2 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.907 111.7 43.9 -53.6 -43.4 37.3 10.7 39.7 94 267 A I H < S+ 0 0 0 -4,-3.8 -1,-0.2 2,-0.2 -2,-0.2 0.971 108.1 55.0 -65.3 -52.9 39.3 9.9 42.8 95 268 A R H >X S+ 0 0 14 -4,-2.5 3,-1.8 1,-0.2 4,-0.6 0.906 108.4 51.1 -52.3 -45.4 39.0 6.1 42.8 96 269 A V H >X S+ 0 0 40 -4,-2.3 3,-1.2 1,-0.3 4,-1.1 0.939 110.7 46.8 -54.4 -52.3 40.4 6.1 39.2 97 270 A F H 3< S+ 0 0 27 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.158 98.9 77.8 -77.4 21.9 43.5 8.2 40.2 98 271 A F H <4 S+ 0 0 3 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.657 98.2 36.1-108.5 -19.7 43.9 6.0 43.2 99 272 A E H << S+ 0 0 108 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.756 104.3 71.7 -91.0 -31.2 45.5 3.0 41.4 100 273 A Q S < S+ 0 0 118 -4,-1.1 2,-1.5 1,-0.1 -3,-0.1 0.796 75.5 98.1 -49.2 -31.8 47.5 5.3 39.0 101 274 A S - 0 0 9 3,-0.3 -1,-0.1 -4,-0.2 -26,-0.1 -0.448 48.2-178.7 -70.9 88.6 49.7 6.3 42.0 102 275 A K S S+ 0 0 109 -2,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.128 91.1 45.9 -65.2 22.3 52.8 4.1 41.7 103 276 A S S S+ 0 0 82 -29,-0.2 -1,-0.2 1,-0.1 -28,-0.1 0.556 115.4 35.5-136.0 -44.2 53.5 6.1 44.9 104 277 A F S S- 0 0 24 -30,-0.3 -3,-0.3 -5,-0.0 -1,-0.1 -0.807 80.7-172.2-112.7 88.8 50.3 6.1 47.1 105 278 A P - 0 0 92 0, 0.0 -6,-0.1 0, 0.0 3,-0.1 -0.537 27.8-102.6 -79.4 148.1 48.9 2.6 46.5 106 279 A P - 0 0 43 0, 0.0 39,-0.2 0, 0.0 36,-0.1 -0.126 50.6 -86.9 -51.8 157.4 45.4 1.5 47.8 107 280 A A - 0 0 33 37,-2.2 3,-0.1 34,-0.3 36,-0.1 -0.277 31.9-119.0 -68.7 162.2 45.3 -0.7 50.9 108 281 A A S S+ 0 0 113 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.941 90.2 4.6 -66.4 -53.0 45.6 -4.5 50.5 109 282 A K S S- 0 0 54 -3,-0.0 2,-0.6 34,-0.0 -1,-0.2 -0.975 83.7 -97.6-136.9 150.3 42.2 -5.3 52.1 110 283 A S + 0 0 17 -2,-0.3 34,-0.1 1,-0.2 -100,-0.1 -0.552 52.9 153.9 -66.4 108.9 39.2 -3.3 53.4 111 284 A L + 0 0 124 -2,-0.6 2,-0.3 32,-0.5 -1,-0.2 0.281 24.9 121.9-121.8 8.7 39.8 -3.2 57.2 112 285 A L - 0 0 2 31,-0.2 -103,-2.4 2,-0.0 2,-0.4 -0.560 49.3-146.5 -82.4 135.9 38.0 -0.0 58.3 113 286 A T B >> -A 8 0A 17 -2,-0.3 3,-1.9 -105,-0.2 4,-1.4 -0.827 24.3-121.9 -94.9 139.7 35.2 -0.0 60.9 114 287 A I H 3> S+ 0 0 2 -107,-3.7 4,-1.9 -2,-0.4 5,-0.2 0.738 111.8 65.3 -53.0 -26.0 32.5 2.6 60.4 115 288 A Q H 3> S+ 0 0 20 -108,-0.3 4,-3.5 2,-0.2 -1,-0.3 0.909 102.1 48.8 -59.2 -40.7 33.3 4.0 63.8 116 289 A E H <> S+ 0 0 57 -3,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.896 109.7 51.1 -68.9 -41.0 36.7 5.0 62.5 117 290 A V H X S+ 0 0 3 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.827 114.7 43.2 -60.5 -37.3 35.1 6.6 59.4 118 291 A D H X S+ 0 0 31 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.928 114.9 48.9 -75.1 -45.8 32.7 8.5 61.7 119 292 A E H X S+ 0 0 134 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.875 114.0 49.3 -60.6 -34.4 35.6 9.4 64.1 120 293 A F H X S+ 0 0 10 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.965 108.3 49.8 -66.5 -52.2 37.5 10.4 61.1 121 294 A L H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.861 108.5 55.8 -59.3 -34.4 34.8 12.6 59.6 122 295 A L H >X S+ 0 0 82 -4,-2.5 4,-1.3 1,-0.2 3,-0.6 0.983 111.5 40.9 -60.1 -57.9 34.4 14.3 62.9 123 296 A R H 3< S+ 0 0 96 -4,-1.9 4,-0.4 1,-0.3 -1,-0.2 0.795 112.6 56.0 -65.2 -28.5 38.0 15.3 63.1 124 297 A L H >< S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -1,-0.3 0.899 101.5 58.5 -64.1 -37.2 38.1 16.2 59.4 125 298 A S H << S+ 0 0 34 -4,-2.1 -2,-0.2 -3,-0.6 -1,-0.2 0.825 100.0 56.0 -71.4 -29.2 35.2 18.6 60.0 126 299 A K T 3< S+ 0 0 154 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.620 91.2 95.7 -72.1 -14.0 37.3 20.5 62.5 127 300 A L < + 0 0 26 -3,-1.8 3,-0.1 -4,-0.4 -3,-0.0 -0.509 35.5 157.2 -81.6 153.4 40.0 21.0 59.9 128 301 A T + 0 0 93 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.464 48.0 82.4-149.7 -27.5 40.1 24.2 57.8 129 302 A K S > S- 0 0 133 1,-0.1 4,-2.0 4,-0.0 -1,-0.2 -0.804 76.6-126.9 -92.8 136.8 43.7 24.8 56.6 130 303 A E H > S+ 0 0 65 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.812 108.4 56.9 -44.3 -45.7 44.9 22.9 53.4 131 304 A D H > S+ 0 0 136 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.977 109.4 43.8 -50.9 -60.5 47.9 21.5 55.2 132 305 A E H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.823 113.5 51.8 -58.1 -36.7 45.8 19.9 58.0 133 306 A Q H X S+ 0 0 4 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.983 106.3 50.6 -69.0 -54.6 43.3 18.5 55.5 134 307 A Q H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.831 112.2 51.5 -45.4 -41.6 45.7 16.8 53.2 135 308 A Q H X S+ 0 0 97 -4,-1.7 4,-3.3 -5,-0.2 -1,-0.2 0.984 112.4 42.3 -58.8 -62.4 47.2 15.2 56.2 136 309 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.939 114.6 51.2 -51.3 -57.3 44.0 13.9 57.6 137 310 A L H X S+ 0 0 5 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.902 112.1 48.0 -47.3 -47.9 42.8 12.8 54.2 138 311 A Q H X S+ 0 0 84 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.978 105.2 57.8 -60.5 -55.4 46.1 11.0 53.8 139 312 A D H < S+ 0 0 63 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.865 118.8 32.6 -39.6 -50.9 45.9 9.3 57.3 140 313 A I H >< S+ 0 0 17 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.932 113.1 58.9 -71.9 -47.5 42.6 7.7 56.2 141 314 A A H >< S+ 0 0 1 -4,-3.1 3,-1.3 1,-0.3 -34,-0.3 0.784 93.7 68.4 -58.2 -31.5 43.2 7.2 52.5 142 315 A S T 3< S+ 0 0 80 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.029 99.6 51.2 -77.1 22.4 46.2 5.1 53.3 143 316 A R T < S+ 0 0 104 -3,-1.3 -32,-0.5 -5,-0.1 2,-0.4 0.027 90.1 114.0-140.2 31.1 43.8 2.5 54.7 144 317 A C < - 0 0 1 -3,-1.3 -37,-2.2 -34,-0.1 -34,-0.1 -0.895 59.8-150.3-124.1 131.4 41.4 2.2 51.7 145 318 A T - 0 0 32 -2,-0.4 2,-2.4 -39,-0.2 -35,-0.1 0.317 52.1-118.0 -69.1 12.0 40.3 -0.5 49.1 146 319 A A S > S+ 0 0 11 1,-0.2 4,-3.6 -5,-0.2 5,-0.4 -0.505 121.4 68.2 72.1 -65.1 39.7 2.5 46.7 147 320 A N H > S+ 0 0 88 -2,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.914 103.1 47.0 -34.5 -49.4 36.1 1.1 46.9 148 321 A D H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.976 112.2 46.2 -57.9 -59.3 36.6 2.3 50.5 149 322 A L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.915 110.5 53.1 -56.3 -49.8 38.0 5.8 49.5 150 323 A K H >X S+ 0 0 56 -4,-3.6 4,-2.0 1,-0.2 3,-0.7 0.953 110.5 47.5 -46.6 -59.2 35.3 6.4 46.9 151 324 A C H 3X S+ 0 0 11 -4,-1.9 4,-2.0 -5,-0.4 3,-0.3 0.921 109.3 55.4 -51.3 -44.8 32.6 5.7 49.4 152 325 A I H 3X S+ 0 0 5 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.789 105.7 48.7 -71.5 -24.7 34.3 8.0 51.9 153 326 A I H S+ 0 0 52 -4,-2.0 5,-1.9 -3,-0.3 -2,-0.2 0.898 105.7 50.8 -59.4 -40.1 30.7 10.5 48.9 155 328 A L H ><5S+ 0 0 6 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.922 110.5 48.3 -58.8 -42.5 30.2 10.7 52.6 156 329 A I H 3<5S+ 0 0 4 -4,-1.3 -97,-0.2 1,-0.3 -2,-0.2 0.796 109.8 54.1 -66.1 -28.7 32.2 14.0 52.5 157 330 A K T 3<5S- 0 0 47 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.354 108.5-124.7 -93.2 4.2 30.1 15.1 49.6 158 331 A H T < 5S+ 0 0 51 -3,-1.3 2,-0.3 -4,-0.2 -3,-0.2 0.707 81.6 95.0 62.9 20.4 26.8 14.6 51.5 159 332 A D < - 0 0 82 -5,-1.9 -2,-0.1 -107,-0.1 -1,-0.1 -0.847 48.0-175.6-152.3 109.1 25.5 12.3 48.7 160 333 A L - 0 0 12 -2,-0.3 -140,-0.1 -110,-0.2 -5,-0.1 0.237 41.6-130.8 -81.5 10.6 25.7 8.5 48.5 161 334 A K S S+ 0 0 72 1,-0.1 -2,-0.1 -7,-0.1 -7,-0.0 0.877 74.4 114.6 36.8 56.9 24.2 8.5 45.0 162 335 A M S S- 0 0 5 2,-0.1 -140,-0.2 -141,-0.0 -1,-0.1 0.390 78.5-120.8-131.4 -0.2 21.6 5.9 45.9 163 336 A N S S+ 0 0 120 1,-0.2 2,-0.4 0, 0.0 -2,-0.0 0.845 75.5 116.1 60.3 33.3 18.2 7.6 45.6 164 337 A S + 0 0 13 -114,-0.1 -1,-0.2 -136,-0.1 -4,-0.1 -0.908 37.3 171.2-133.5 115.8 17.3 7.0 49.2 165 338 A G > - 0 0 38 -2,-0.4 4,-1.8 -3,-0.1 5,-0.2 0.036 55.4 -58.5 -98.2-151.6 16.8 10.0 51.4 166 339 A A H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.889 125.8 57.0 -65.2 -43.7 15.5 10.2 55.0 167 340 A K H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 11,-0.2 0.931 112.8 39.2 -52.2 -55.8 12.0 8.8 54.4 168 341 A H H > S+ 0 0 35 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.787 117.0 48.1 -72.2 -32.5 13.2 5.5 53.0 169 342 A V H < S+ 0 0 1 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.881 114.0 47.4 -72.2 -35.7 16.1 5.0 55.3 170 343 A L H >X S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-0.9 0.802 99.7 67.0 -79.7 -22.9 14.1 5.8 58.4 171 344 A D H 3< S+ 0 0 47 -4,-1.7 3,-0.4 -5,-0.3 -1,-0.2 0.835 94.9 57.9 -67.7 -28.1 11.2 3.6 57.4 172 345 A A T 3< S+ 0 0 3 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.685 103.3 57.0 -68.6 -16.1 13.5 0.6 57.8 173 346 A L T <4 S- 0 0 17 -3,-1.5 -1,-0.2 1,-0.4 -2,-0.2 0.748 125.7 -30.9 -91.3 -23.3 14.0 1.8 61.4 174 347 A D >< - 0 0 23 -4,-0.9 3,-1.1 -3,-0.4 4,-0.5 -0.743 59.4-100.1 169.1 138.6 10.4 1.8 62.5 175 348 A P T 3 S+ 0 0 104 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.685 124.8 29.7 -34.3 -32.0 6.9 2.4 61.1 176 349 A N T 3> S+ 0 0 59 2,-0.1 4,-3.4 -6,-0.1 5,-0.3 0.479 82.7 107.3-119.8 -4.6 7.1 5.9 62.6 177 350 A A H <> S+ 0 0 0 -3,-1.1 4,-3.2 -7,-0.3 5,-0.2 0.895 84.7 48.6 -40.8 -57.2 10.7 6.9 62.6 178 351 A Y H > S+ 0 0 73 -4,-0.5 4,-2.1 -11,-0.2 -1,-0.2 0.949 115.0 42.5 -49.3 -61.5 10.3 9.4 59.8 179 352 A E H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.941 117.3 48.3 -52.4 -49.4 7.2 11.1 61.2 180 353 A A H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.882 109.2 53.1 -62.8 -38.5 8.7 11.1 64.7 181 354 A F H < S+ 0 0 4 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.867 106.8 53.0 -59.3 -41.7 12.0 12.5 63.3 182 355 A K H < S+ 0 0 15 -4,-2.1 33,-2.3 -3,-0.3 3,-0.4 0.849 108.9 49.4 -67.0 -33.7 10.1 15.4 61.6 183 356 A A H < S+ 0 0 1 -4,-1.7 26,-0.5 1,-0.3 2,-0.4 0.885 131.8 15.7 -77.3 -36.0 8.4 16.3 64.9 184 357 A S S < S- 0 0 1 -4,-2.1 2,-2.0 24,-0.2 -1,-0.3 -0.815 82.1-151.2-136.7 102.2 11.7 16.3 66.8 185 358 A R + 0 0 55 28,-3.3 2,-0.3 -2,-0.4 -3,-0.1 -0.444 55.4 109.5 -85.6 74.7 14.5 16.4 64.4 186 359 A N > - 0 0 59 -2,-2.0 4,-1.8 26,-0.1 3,-0.5 -0.857 47.3-162.3-145.0 105.9 17.4 14.6 66.2 187 360 A L H > S+ 0 0 3 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.855 88.3 56.9 -55.2 -44.2 18.4 11.2 64.9 188 361 A Q H > S+ 0 0 91 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 108.5 48.8 -59.4 -38.2 20.3 10.0 68.0 189 362 A D H > S+ 0 0 37 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.916 108.8 52.0 -73.0 -39.6 17.2 10.6 70.1 190 363 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.960 112.9 45.2 -56.1 -50.1 14.9 8.7 67.7 191 364 A V H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.927 110.8 52.5 -62.5 -46.9 17.3 5.7 67.7 192 365 A E H X S+ 0 0 106 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.877 112.5 48.0 -53.4 -40.4 17.6 5.8 71.5 193 366 A R H X S+ 0 0 33 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.900 111.1 48.0 -70.8 -42.8 13.9 5.8 71.6 194 367 A V H X S+ 0 0 12 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.883 112.9 49.4 -64.9 -38.9 13.5 2.9 69.2 195 368 A L H X S+ 0 0 82 -4,-3.2 4,-1.0 1,-0.2 -2,-0.2 0.817 107.6 53.4 -70.6 -30.8 16.1 0.8 71.1 196 369 A H H X S+ 0 0 100 -4,-1.6 4,-0.7 -5,-0.3 -1,-0.2 0.770 116.1 42.3 -70.3 -20.3 14.3 1.5 74.4 197 370 A N H >< S+ 0 0 69 -4,-0.9 3,-0.6 2,-0.2 -2,-0.2 0.920 112.6 48.3 -88.6 -50.9 11.2 0.2 72.7 198 371 A A H 3< S+ 0 0 65 -4,-3.3 3,-0.3 1,-0.2 -3,-0.2 0.721 103.7 70.8 -58.9 -22.4 12.7 -2.8 70.8 199 372 A Q H 3< S+ 0 0 125 -4,-1.0 2,-1.4 -5,-0.2 -1,-0.2 0.955 89.7 57.3 -59.0 -53.6 14.2 -3.5 74.2 200 373 A E S << S+ 0 0 128 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.0 -0.504 80.0 86.5 -93.4 73.0 11.0 -4.6 76.1 201 374 A V 0 0 117 -2,-1.4 -1,-0.1 -3,-0.3 -2,-0.1 0.574 360.0 360.0-123.4 -85.8 9.4 -7.5 74.1 202 375 A E 0 0 196 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.263 360.0 360.0 58.2 360.0 10.6 -11.1 74.9 203 ! 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 0.0 204 384 A L 0 0 46 0, 0.0 2,-0.2 0, 0.0 -24,-0.1 0.000 360.0 360.0 360.0 102.0 6.9 4.8 68.8 205 385 A S - 0 0 71 1,-0.1 2,-1.3 -26,-0.0 -29,-0.0 -0.538 360.0-130.3 -92.1 147.2 5.0 8.0 69.3 206 386 A V + 0 0 44 -2,-0.2 2,-0.3 -23,-0.0 -1,-0.1 -0.618 46.5 153.1 -98.2 76.6 5.3 11.1 67.2 207 387 A Q - 0 0 107 -2,-1.3 2,-0.3 -23,-0.1 -24,-0.0 -0.713 42.0-123.5-109.0 153.9 5.8 13.9 69.8 208 388 A A - 0 0 18 -2,-0.3 2,-0.4 123,-0.1 -24,-0.2 -0.727 24.3-147.5 -93.8 149.5 7.5 17.3 69.5 209 389 A S > - 0 0 55 -26,-0.5 3,-1.7 3,-0.4 2,-0.1 -0.983 18.0-116.2-129.6 128.1 10.2 18.0 72.1 210 390 A L T 3 S+ 0 0 30 -2,-0.4 79,-0.1 1,-0.3 40,-0.1 -0.400 99.3 19.4 -71.1 133.5 10.9 21.5 73.4 211 391 A M T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -2,-0.1 39,-0.1 0.139 105.7 94.6 86.8 -10.1 14.4 22.8 72.5 212 392 A T S < S- 0 0 30 -3,-1.7 -3,-0.4 -29,-0.1 -1,-0.2 -0.936 84.8 -96.6-112.0 136.9 14.8 20.3 69.6 213 393 A P - 0 0 19 0, 0.0 -28,-3.3 0, 0.0 2,-0.5 -0.044 24.9-150.2 -52.6 141.8 13.9 21.4 66.0 214 394 A V - 0 0 1 -30,-0.2 -31,-0.2 -6,-0.1 -32,-0.1 -0.972 32.0-109.8-107.7 126.7 10.6 20.6 64.3 215 395 A Q - 0 0 34 -33,-2.3 187,-0.7 -2,-0.5 188,-0.2 -0.367 48.0-116.0 -48.1 113.1 10.8 20.2 60.5 216 396 A P - 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