==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-JUN-07 2Q7G . COMPND 2 MOLECULE: PYRROLYSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR J.M.KAVRAN,T.A.STEITZ . 251 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 15 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 1 0 0 1 1 1 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 1 1 1 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 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 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 1 188 A P 0 0 171 0, 0.0 2,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 -56.3 30.6 -0.9 34.1 2 189 A A - 0 0 86 1,-0.1 2,-0.1 20,-0.1 22,-0.0 -0.449 360.0-109.6 -66.4 134.9 27.5 1.1 34.8 3 190 A L - 0 0 33 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.416 31.3-124.7 -64.4 138.0 28.2 4.9 34.9 4 191 A T > - 0 0 68 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.388 23.6-109.8 -72.0 163.1 28.0 6.5 38.4 5 192 A K H > S+ 0 0 143 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.922 122.0 51.7 -59.6 -40.5 25.7 9.4 38.9 6 193 A S H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.5 49.6 -64.5 -39.5 28.8 11.6 39.3 7 194 A Q H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 110.6 49.8 -64.4 -43.6 30.2 10.3 36.0 8 195 A T H X S+ 0 0 41 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.895 108.2 53.9 -60.2 -40.8 26.9 11.0 34.3 9 196 A D H X S+ 0 0 67 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.931 108.9 49.1 -57.9 -44.7 26.9 14.5 35.8 10 197 A R H X S+ 0 0 63 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.925 112.1 47.3 -61.0 -47.5 30.4 15.1 34.3 11 198 A L H X S+ 0 0 14 -4,-2.4 4,-0.8 1,-0.2 3,-0.4 0.909 107.8 56.6 -62.7 -39.8 29.3 13.8 30.8 12 199 A E H < S+ 0 0 85 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.850 101.2 57.3 -63.1 -32.4 26.2 15.9 30.9 13 200 A V H < S+ 0 0 41 -4,-1.6 237,-0.4 1,-0.2 -1,-0.2 0.912 113.4 40.5 -58.0 -40.4 28.4 19.0 31.5 14 201 A L H < S+ 0 0 0 -4,-1.2 2,-0.3 -3,-0.4 -2,-0.2 0.477 95.3 100.5 -88.0 -7.8 30.1 18.1 28.2 15 202 A L < - 0 0 63 -4,-0.8 235,-0.1 -3,-0.5 3,-0.0 -0.625 57.6-156.5 -83.4 135.8 27.0 17.1 26.3 16 203 A N > - 0 0 31 -2,-0.3 3,-1.6 1,-0.1 233,-0.1 -0.805 28.6-111.5-107.1 156.5 25.5 19.6 23.9 17 204 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 215,-0.1 0.883 116.4 51.4 -51.5 -41.9 21.8 19.6 22.8 18 205 A K T 3 S+ 0 0 197 -3,-0.0 214,-0.0 2,-0.0 -3,-0.0 0.505 84.2 113.9 -79.8 -4.7 22.7 18.6 19.2 19 206 A D < 0 0 28 -3,-1.6 -4,-0.0 1,-0.1 0, 0.0 -0.333 360.0 360.0 -61.9 149.3 24.8 15.6 20.3 20 207 A E 0 0 221 -2,-0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.218 360.0 360.0-127.0 360.0 23.5 12.1 19.3 21 ! 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 22 214 A K 0 0 164 0, 0.0 2,-0.1 0, 0.0 -20,-0.1 0.000 360.0 360.0 360.0 39.8 30.4 2.9 29.0 23 215 A P >> - 0 0 48 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.771 360.0-150.7 -74.8 151.1 33.4 3.1 29.6 24 216 A F H 3> S+ 0 0 42 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.884 91.3 55.3 -51.7 -49.2 33.4 6.6 31.3 25 217 A R H 3> S+ 0 0 177 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.851 111.4 44.1 -61.0 -35.2 36.9 7.6 30.3 26 218 A E H <> S+ 0 0 124 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.896 114.1 49.0 -74.2 -44.3 36.3 7.0 26.6 27 219 A L H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 114.0 47.8 -56.8 -44.6 32.9 8.7 26.6 28 220 A E H X S+ 0 0 47 -4,-3.1 4,-2.9 -5,-0.2 -2,-0.2 0.934 111.2 50.0 -62.8 -46.6 34.6 11.6 28.4 29 221 A S H X S+ 0 0 75 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.909 110.7 50.5 -60.4 -42.3 37.5 11.7 26.0 30 222 A E H X S+ 0 0 95 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.935 113.3 44.1 -59.9 -50.0 35.0 11.7 23.0 31 223 A L H X S+ 0 0 17 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.911 110.9 54.6 -65.9 -41.3 33.0 14.6 24.4 32 224 A L H X S+ 0 0 28 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.926 109.4 48.5 -55.2 -46.1 36.1 16.6 25.4 33 225 A S H X S+ 0 0 46 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.933 112.2 48.8 -61.2 -46.6 37.4 16.3 21.8 34 226 A R H X S+ 0 0 89 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 112.9 46.3 -56.8 -47.9 34.0 17.4 20.4 35 227 A R H X S+ 0 0 7 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.874 110.9 51.6 -70.2 -36.7 33.7 20.4 22.7 36 228 A K H X S+ 0 0 97 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.925 110.9 49.8 -61.0 -44.2 37.3 21.5 22.1 37 229 A K H X S+ 0 0 125 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.888 107.9 53.6 -62.5 -39.3 36.5 21.3 18.3 38 230 A D H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.919 111.4 44.8 -59.6 -45.7 33.4 23.4 18.9 39 231 A L H X S+ 0 0 45 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.896 111.5 53.5 -65.9 -41.1 35.4 26.1 20.6 40 232 A Q H X S+ 0 0 116 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.891 109.0 49.5 -58.4 -41.9 38.1 25.9 17.9 41 233 A Q H X S+ 0 0 133 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.909 111.7 47.6 -65.8 -44.6 35.4 26.4 15.2 42 234 A I H <>S+ 0 0 33 -4,-2.2 5,-1.8 1,-0.2 -2,-0.2 0.938 114.8 46.9 -58.2 -46.4 33.9 29.4 17.1 43 235 A Y H <5S+ 0 0 180 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.874 114.7 46.6 -65.1 -38.3 37.4 30.9 17.5 44 236 A A H <5S+ 0 0 60 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.849 127.6 17.5 -71.6 -34.6 38.3 30.2 13.8 45 237 A E T <5S+ 0 0 136 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.1 0.792 128.3 3.2-109.0 -89.8 35.1 31.7 12.4 46 238 A E T 5 - 0 0 89 -5,-0.3 -3,-0.1 1,-0.1 -4,-0.1 0.864 59.6-167.7 -82.1 -42.2 32.6 34.0 14.1 47 239 A R < + 0 0 145 -5,-1.8 2,-0.4 1,-0.2 -4,-0.1 0.562 38.4 136.5 67.2 13.2 34.1 34.7 17.5 48 240 A E - 0 0 65 -6,-0.1 2,-0.3 4,-0.0 -1,-0.2 -0.733 54.7-126.9 -97.9 140.2 30.9 36.2 18.9 49 241 A N > - 0 0 63 -2,-0.4 4,-3.3 1,-0.1 5,-0.2 -0.650 18.3-131.6 -79.5 134.0 29.4 35.6 22.3 50 242 A Y H > S+ 0 0 67 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.848 105.8 47.6 -53.5 -43.9 25.8 34.5 22.1 51 243 A L H > S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 116.0 44.2 -70.1 -40.1 24.6 36.9 24.8 52 244 A G H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.938 115.5 48.3 -64.8 -46.8 26.4 39.8 23.2 53 245 A K H X S+ 0 0 51 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.914 110.4 50.6 -64.1 -45.8 25.3 38.8 19.7 54 246 A L H X S+ 0 0 6 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.929 108.8 52.4 -57.3 -45.7 21.6 38.5 20.8 55 247 A E H X S+ 0 0 49 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.925 111.2 47.6 -55.5 -44.3 21.7 41.9 22.4 56 248 A R H X S+ 0 0 123 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.896 112.4 48.5 -65.3 -39.6 23.0 43.3 19.1 57 249 A E H X S+ 0 0 59 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.911 114.0 45.8 -66.4 -42.9 20.4 41.5 17.1 58 250 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.903 110.7 54.4 -66.2 -41.8 17.6 42.7 19.4 59 251 A T H X S+ 0 0 22 -4,-2.7 4,-3.0 -5,-0.3 5,-0.3 0.938 108.4 48.8 -56.4 -48.4 19.0 46.2 19.4 60 252 A R H X S+ 0 0 177 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.916 109.6 53.4 -59.6 -43.8 18.9 46.3 15.6 61 253 A F H X S+ 0 0 26 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.948 115.0 38.3 -57.5 -50.3 15.3 45.1 15.6 62 254 A F H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 3,-0.3 0.917 114.9 52.1 -75.0 -39.3 14.0 47.8 17.9 63 255 A V H ><5S+ 0 0 65 -4,-3.0 3,-1.7 -5,-0.3 -1,-0.2 0.943 110.3 50.4 -57.3 -45.3 16.1 50.6 16.5 64 256 A D H 3<5S+ 0 0 115 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.786 106.8 55.6 -64.1 -25.7 14.8 49.7 13.1 65 257 A R T 3<5S- 0 0 71 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.292 127.9 -95.2 -91.6 7.7 11.2 49.7 14.4 66 258 A G T < 5S+ 0 0 51 -3,-1.7 2,-0.4 1,-0.3 60,-0.3 0.618 78.2 138.6 93.3 17.1 11.6 53.3 15.7 67 259 A F < - 0 0 5 -5,-2.5 2,-0.4 -6,-0.1 60,-0.3 -0.795 51.5-125.4 -99.5 133.0 12.6 52.7 19.4 68 260 A L E -a 127 0A 82 58,-3.0 60,-2.3 -2,-0.4 2,-0.5 -0.617 24.0-123.6 -77.8 129.4 15.3 54.8 21.0 69 261 A E E -a 128 0A 88 -2,-0.4 2,-0.4 58,-0.2 60,-0.2 -0.621 29.2-163.6 -77.1 121.5 18.2 52.8 22.6 70 262 A I E -a 129 0A 5 58,-3.0 60,-0.6 -2,-0.5 2,-0.4 -0.846 17.1-173.5-106.7 140.4 18.7 53.5 26.3 71 263 A K + 0 0 110 -2,-0.4 3,-0.1 58,-0.1 58,-0.1 -0.879 25.1 167.5-129.2 100.1 21.7 52.7 28.4 72 264 A S - 0 0 13 -2,-0.4 38,-0.0 1,-0.2 37,-0.0 -0.541 42.2 -65.7-111.0 169.2 20.8 53.7 32.0 73 265 A P - 0 0 81 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 -0.250 27.9-162.9 -59.5 143.6 22.4 52.9 35.4 74 266 A I S S+ 0 0 61 1,-0.1 29,-2.6 -3,-0.1 2,-0.7 0.800 85.4 65.0 -88.2 -40.6 22.6 49.3 36.6 75 267 A L E S+G 102 0B 84 27,-0.2 27,-0.2 25,-0.1 -1,-0.1 -0.778 80.1 177.8 -81.7 113.3 23.3 50.6 40.2 76 268 A I E -G 101 0B 0 25,-2.9 25,-2.3 -2,-0.7 2,-0.1 -0.816 35.0 -86.9-122.6 157.9 20.1 52.4 41.1 77 269 A P E >> -G 100 0B 37 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.377 30.0-132.8 -58.5 137.0 18.8 54.3 44.2 78 270 A L H >> S+ 0 0 27 21,-2.6 3,-1.4 1,-0.3 4,-1.2 0.839 104.9 72.0 -56.7 -35.6 17.0 52.0 46.7 79 271 A E H 3> S+ 0 0 128 20,-0.4 4,-2.2 1,-0.3 -1,-0.3 0.771 86.8 63.7 -47.2 -35.4 14.2 54.6 46.7 80 272 A Y H <> S+ 0 0 49 -3,-1.4 4,-1.1 2,-0.2 -1,-0.3 0.856 98.2 55.3 -61.6 -34.4 13.3 53.5 43.1 81 273 A I H X<>S+ 0 0 7 -3,-1.4 5,-1.8 -4,-0.5 3,-0.7 0.955 110.5 43.2 -62.9 -52.0 12.4 50.0 44.6 82 274 A E H ><5S+ 0 0 138 -4,-1.2 3,-1.9 1,-0.2 -2,-0.2 0.894 111.8 55.0 -58.7 -42.2 9.9 51.5 47.0 83 275 A R H 3<5S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.697 98.6 62.4 -70.5 -18.3 8.6 53.8 44.3 84 276 A M T <<5S- 0 0 24 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.343 121.6-109.2 -80.8 3.9 7.9 50.8 42.1 85 277 A G T < 5 + 0 0 46 -3,-1.9 2,-1.1 1,-0.2 -3,-0.2 0.691 68.0 152.5 74.2 20.7 5.5 49.7 44.9 86 278 A I < 0 0 26 -5,-1.8 -1,-0.2 3,-0.1 -2,-0.1 -0.747 360.0 360.0 -88.7 98.5 7.8 46.9 45.9 87 279 A D 0 0 167 -2,-1.1 3,-0.4 -3,-0.1 -5,-0.0 -0.859 360.0 360.0 -93.5 360.0 7.0 46.2 49.6 88 ! 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 89 284 A L > 0 0 62 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -24.1 10.7 40.9 44.9 90 285 A S G > + 0 0 40 -3,-0.4 3,-0.6 1,-0.3 -4,-0.0 0.863 360.0 41.3 -55.0 -39.5 11.3 42.8 48.2 91 286 A K G 3 S+ 0 0 189 1,-0.2 -1,-0.3 45,-0.0 44,-0.0 0.434 105.5 68.0 -88.2 -1.1 13.5 40.0 49.5 92 287 A Q G < S+ 0 0 45 -3,-1.6 44,-2.7 43,-0.1 2,-0.4 0.385 72.7 115.2 -97.7 2.1 15.2 39.5 46.1 93 288 A I < - 0 0 2 -3,-0.6 2,-0.9 -4,-0.3 42,-0.1 -0.613 59.3-142.5 -84.9 129.0 17.1 42.9 46.0 94 289 A F - 0 0 54 8,-0.4 8,-2.5 -2,-0.4 2,-0.2 -0.805 24.9-152.7 -83.1 104.3 20.9 43.0 46.1 95 290 A R E -H 101 0B 135 -2,-0.9 2,-0.4 6,-0.2 6,-0.3 -0.509 9.5-163.8 -78.0 145.8 21.6 46.1 48.2 96 291 A V E > -H 100 0B 43 4,-3.0 4,-1.6 -2,-0.2 3,-0.2 -0.991 58.5 -33.7-133.0 124.1 24.8 48.0 47.7 97 292 A D T 4 S- 0 0 146 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.204 100.1 -57.7 53.3-153.2 25.9 50.5 50.4 98 293 A K T 4 S+ 0 0 184 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.793 132.8 29.2 -91.2 -30.0 23.1 52.3 52.3 99 294 A N T 4 S+ 0 0 112 -3,-0.2 -21,-2.6 -21,-0.1 -20,-0.4 0.390 108.3 64.1-117.4 -1.6 21.3 54.0 49.4 100 295 A F E < -GH 77 96B 86 -4,-1.6 -4,-3.0 -23,-0.3 2,-0.3 -0.779 46.0-179.4-129.4 164.9 21.8 51.8 46.3 101 296 A C E -GH 76 95B 0 -25,-2.3 -25,-2.9 -6,-0.3 2,-0.4 -0.969 40.3 -94.9-150.7 162.4 21.0 48.5 44.9 102 297 A L E -G 75 0B 40 -8,-2.5 -8,-0.4 -2,-0.3 -27,-0.2 -0.724 56.9-103.8 -77.8 132.1 21.5 46.5 41.7 103 298 A R - 0 0 3 -29,-2.6 31,-2.3 -2,-0.4 3,-0.1 -0.354 28.2-165.5 -64.2 128.0 18.4 47.0 39.6 104 299 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.527 76.6 9.5 -85.6 -8.4 16.1 44.0 39.6 105 300 A M - 0 0 4 27,-0.1 4,-0.2 44,-0.0 29,-0.1 -0.965 68.4-122.4-161.5 165.6 14.2 45.4 36.5 106 301 A L S > S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.2 3,-0.3 0.604 84.1 95.3 -91.5 -14.5 14.5 48.1 33.9 107 302 A A H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.832 76.8 53.3 -51.3 -50.7 11.1 49.8 34.7 108 303 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.939 113.1 42.6 -58.4 -46.6 12.1 52.6 37.1 109 304 A N H > S+ 0 0 10 -3,-0.3 4,-2.4 -4,-0.2 -2,-0.2 0.870 115.0 51.3 -64.2 -37.1 14.8 54.1 34.8 110 305 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.876 105.9 55.0 -68.8 -34.4 12.6 53.7 31.8 111 306 A Y H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.932 109.5 47.5 -58.6 -47.1 9.8 55.5 33.7 112 307 A N H X S+ 0 0 13 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.928 112.0 50.1 -61.8 -43.3 12.1 58.4 34.2 113 308 A Y H X S+ 0 0 90 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.918 109.1 51.2 -60.5 -46.3 13.2 58.4 30.5 114 309 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.923 112.4 46.8 -56.2 -44.6 9.5 58.4 29.4 115 310 A R H < S+ 0 0 79 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.927 117.5 41.7 -64.5 -47.1 8.8 61.4 31.6 116 311 A K H >< S+ 0 0 130 -4,-2.5 3,-1.6 1,-0.2 4,-0.2 0.927 114.2 50.7 -67.8 -45.0 11.8 63.4 30.5 117 312 A L H >X S+ 0 0 28 -4,-3.1 4,-3.2 1,-0.3 3,-2.1 0.772 94.5 72.5 -67.8 -25.6 11.6 62.5 26.8 118 313 A D T 3< S+ 0 0 60 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.738 92.5 58.4 -61.3 -21.0 8.0 63.5 26.7 119 314 A R T <4 S+ 0 0 231 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.599 121.6 22.8 -79.2 -12.4 9.3 67.1 26.9 120 315 A A T <4 S+ 0 0 80 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.710 106.9 71.1-123.3 -36.7 11.3 66.7 23.7 121 316 A L S < S- 0 0 69 -4,-3.2 -1,-0.1 1,-0.1 4,-0.1 -0.640 75.5-109.6-101.4 149.8 10.1 63.9 21.5 122 317 A P - 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0 0 11 -5,-1.6 -1,-0.2 -6,-0.3 3,-0.1 -0.552 28.8-146.9 -70.8 136.9 19.8 24.4 26.6 234 435 A K S S+ 0 0 164 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.808 86.8 35.0 -72.2 -30.7 18.6 22.1 29.5 235 436 A N S > S- 0 0 32 1,-0.1 3,-2.1 -93,-0.0 4,-0.2 -0.991 75.3-135.4-131.8 133.2 19.7 24.7 32.0 236 437 A I G > S+ 0 0 4 -95,-2.4 3,-2.1 -2,-0.4 4,-0.5 0.691 97.2 81.1 -60.6 -19.6 19.7 28.4 31.8 237 438 A K G > S+ 0 0 109 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.792 83.6 62.8 -55.3 -29.1 23.3 28.5 33.2 238 439 A R G < S+ 0 0 27 -3,-2.1 10,-0.9 1,-0.2 -1,-0.3 0.665 105.8 44.7 -68.3 -19.0 24.5 27.6 29.7 239 440 A A G < S+ 0 0 6 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.415 98.5 99.2-101.1 -4.1 23.1 30.9 28.5 240 441 A A S < S- 0 0 18 -3,-0.8 2,-0.3 -4,-0.5 8,-0.2 -0.370 90.0 -87.9 -84.4 159.8 24.4 33.1 31.4 241 442 A R S S+ 0 0 131 -95,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.542 75.6 156.9 -49.8 124.9 27.4 35.4 31.8 242 443 A S - 0 0 55 -2,-0.3 -4,-0.0 3,-0.2 -5,-0.0 -0.995 62.4-151.6-161.6 152.6 29.7 32.7 33.0 243 444 A E S S+ 0 0 182 -2,-0.3 3,-0.1 3,-0.0 -1,-0.1 0.401 103.9 56.1 -99.7 -5.1 33.2 31.4 33.5 244 445 A S S S+ 0 0 51 1,-0.2 7,-2.0 -7,-0.1 8,-0.5 0.623 110.1 35.2-103.2 -22.7 31.8 27.8 33.2 245 446 A Y E -I 250 0C 41 5,-0.3 2,-0.5 -5,-0.2 5,-0.2 -0.998 55.7-166.8-138.2 138.9 30.1 28.0 29.8 246 447 A Y E > S-I 249 0C 68 3,-2.9 3,-2.2 -2,-0.4 -5,-0.1 -0.980 86.0 -21.6-124.6 113.7 30.9 29.8 26.6 247 448 A N T 3 S- 0 0 16 -2,-0.5 -8,-0.1 1,-0.3 -1,-0.1 0.890 129.4 -51.7 51.3 40.5 28.1 29.8 24.1 248 449 A G T 3 S+ 0 0 0 -10,-0.9 2,-0.5 1,-0.2 -1,-0.3 0.462 115.0 120.6 77.9 1.3 26.7 26.8 25.9 249 450 A I E < S-I 246 0C 8 -3,-2.2 -3,-2.9 -11,-0.1 -1,-0.2 -0.862 70.1-112.2-101.6 128.5 30.0 24.9 25.7 250 451 A S E -I 245 0C 0 -2,-0.5 -5,-0.3 -237,-0.4 -6,-0.1 -0.345 18.4-161.3 -55.6 132.8 31.7 23.8 28.9 251 452 A T S S+ 0 0 54 -7,-2.0 2,-1.1 1,-0.1 -1,-0.1 0.371 74.0 89.9 -92.9 -0.6 35.0 25.7 29.5 252 453 A N 0 0 87 -8,-0.5 -1,-0.1 1,-0.1 -2,-0.1 -0.634 360.0 360.0 -97.9 78.0 36.1 23.0 31.9 253 454 A L 0 0 80 -2,-1.1 -1,-0.1 -218,-0.0 -217,-0.1 -0.021 360.0 360.0-112.1 360.0 37.8 20.8 29.4 254 ! 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 0.0 255 901 A X 0 0 73 0, 0.0 -56,-0.1 0, 0.0 -104,-0.0 0.000 360.0 360.0 360.0 360.0 9.1 43.9 34.8