==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-NOV-06 2E3C . COMPND 2 MOLECULE: PYRROLYSYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI; . AUTHOR T.YANAGISAWA,R.ISHII,S.YOKOYAMA,RIKEN STRUCTURAL . 260 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 17.3 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 . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 0 0 2 0 0 1 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 3 0 0 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 1 187 A A 0 0 103 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -39.4 -28.8 -2.2 -2.1 2 188 A P - 0 0 110 0, 0.0 3,-0.1 0, 0.0 22,-0.0 0.586 360.0-107.3 -76.8 163.5 -29.3 -1.3 -4.9 3 189 A A - 0 0 87 -2,-0.1 2,-0.0 1,-0.1 0, 0.0 -0.325 38.0-110.3 -56.5 132.3 -26.4 1.2 -5.3 4 190 A L - 0 0 49 1,-0.1 -1,-0.1 4,-0.1 2,-0.0 -0.415 35.6-117.6 -63.2 142.5 -27.8 4.7 -5.2 5 191 A T > - 0 0 75 1,-0.1 4,-1.8 -3,-0.1 5,-0.1 -0.314 26.7-105.0 -74.6 167.8 -27.4 6.2 -8.7 6 192 A K H > S+ 0 0 140 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.966 122.5 55.4 -57.0 -50.8 -25.2 9.3 -9.0 7 193 A S H > S+ 0 0 89 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.825 108.2 46.5 -49.7 -41.7 -28.3 11.5 -9.3 8 194 A Q H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.830 111.6 52.7 -72.2 -32.1 -29.8 10.1 -6.0 9 195 A T H X S+ 0 0 45 -4,-1.8 4,-2.6 -3,-0.4 -2,-0.2 0.919 110.0 47.7 -66.9 -44.7 -26.4 10.7 -4.4 10 196 A D H X S+ 0 0 68 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.914 110.6 52.3 -62.1 -44.6 -26.4 14.3 -5.6 11 197 A R H X S+ 0 0 56 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.887 112.3 44.9 -59.4 -40.9 -29.9 14.8 -4.4 12 198 A L H >< S+ 0 0 13 -4,-2.0 3,-1.0 2,-0.2 4,-0.3 0.875 107.8 58.6 -71.4 -37.4 -29.0 13.5 -1.0 13 199 A E H >< S+ 0 0 92 -4,-2.6 3,-2.3 1,-0.3 -2,-0.2 0.939 99.8 57.8 -55.3 -49.6 -25.8 15.6 -1.0 14 200 A V H 3< S+ 0 0 40 -4,-2.3 245,-0.4 1,-0.3 -1,-0.3 0.767 109.4 45.3 -51.5 -29.3 -28.0 18.7 -1.4 15 201 A L T << S+ 0 0 0 -3,-1.0 2,-0.5 -4,-0.6 -1,-0.3 0.376 93.3 107.9 -98.5 4.2 -29.8 17.7 1.9 16 202 A L < - 0 0 52 -3,-2.3 3,-0.0 -4,-0.3 -3,-0.0 -0.726 52.0-160.0 -91.9 125.8 -26.6 16.9 3.7 17 203 A N > - 0 0 30 -2,-0.5 3,-0.7 1,-0.1 224,-0.1 -0.706 30.6-118.6 -96.7 150.4 -25.2 19.2 6.5 18 204 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 223,-0.1 0.933 116.0 55.0 -52.7 -43.9 -21.5 18.9 7.4 19 205 A K T 3 S+ 0 0 186 -3,-0.0 -3,-0.0 2,-0.0 0, 0.0 0.770 83.0 109.2 -58.2 -34.8 -22.6 17.8 10.9 20 206 A D < 0 0 35 -3,-0.7 -4,-0.0 1,-0.1 14,-0.0 -0.142 360.0 360.0 -49.6 139.7 -24.8 14.9 9.7 21 207 A E 0 0 234 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.437 360.0 360.0-132.5 360.0 -23.4 11.5 10.4 22 ! 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 23 212 A S 0 0 182 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.3 -25.8 1.7 4.5 24 213 A G + 0 0 49 1,-0.2 0, 0.0 -22,-0.0 0, 0.0 -0.493 360.0 115.1 88.0 -69.7 -28.6 -0.5 3.2 25 214 A K - 0 0 124 -2,-1.5 -1,-0.2 1,-0.1 0, 0.0 0.074 68.7-108.7 -39.8 141.0 -31.7 1.8 3.4 26 215 A P > - 0 0 68 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.197 28.1-102.7 -71.0 165.5 -33.3 2.7 0.1 27 216 A F H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.898 117.0 60.4 -52.0 -48.0 -33.2 6.2 -1.5 28 217 A R H > S+ 0 0 161 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 111.0 36.2 -49.3 -52.7 -36.7 6.9 -0.4 29 218 A E H > S+ 0 0 112 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.888 115.2 54.4 -73.4 -40.2 -36.1 6.6 3.4 30 219 A L H X S+ 0 0 59 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.932 115.0 41.5 -58.5 -45.7 -32.6 8.1 3.2 31 220 A E H X S+ 0 0 34 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.916 112.8 53.3 -68.0 -43.5 -34.1 11.1 1.5 32 221 A S H X S+ 0 0 59 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.771 108.0 53.1 -63.0 -26.2 -37.2 11.2 3.8 33 222 A E H >X S+ 0 0 79 -4,-2.0 4,-1.7 2,-0.2 3,-0.9 0.989 111.5 41.6 -70.6 -63.3 -34.9 11.2 6.8 34 223 A L H 3X S+ 0 0 17 -4,-1.8 4,-3.0 1,-0.3 5,-0.2 0.807 108.3 63.8 -53.6 -36.1 -32.7 14.2 5.7 35 224 A L H 3X S+ 0 0 30 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.894 105.6 42.9 -59.7 -40.8 -35.8 16.1 4.6 36 225 A S H S+ 0 0 17 -4,-2.5 5,-1.1 1,-0.2 -2,-0.2 0.952 114.7 47.7 -53.6 -53.2 -33.7 29.1 12.8 46 235 A Y H <5S+ 0 0 183 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.823 115.1 46.2 -59.3 -32.6 -37.2 30.4 12.3 47 236 A A H <5S+ 0 0 69 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.914 127.7 14.8 -78.0 -45.9 -38.0 29.9 16.0 48 237 A E T <5S+ 0 0 107 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.1 0.899 130.8 9.1 -96.9 -80.6 -34.9 31.3 17.6 49 238 A E T 5 - 0 0 76 -5,-0.3 -3,-0.1 2,-0.1 -4,-0.1 0.973 56.7-172.9 -73.0 -59.9 -32.5 33.5 15.7 50 239 A R < + 0 0 141 -5,-1.1 2,-0.4 1,-0.2 -4,-0.1 0.655 40.6 132.2 71.4 16.2 -34.0 34.3 12.2 51 240 A E - 0 0 75 -6,-0.1 -1,-0.2 4,-0.0 2,-0.2 -0.820 55.7-126.1-102.9 140.5 -30.8 36.0 11.0 52 241 A N > - 0 0 59 -2,-0.4 4,-3.2 1,-0.1 5,-0.2 -0.566 14.9-130.2 -83.1 146.1 -29.2 35.3 7.7 53 242 A Y H > S+ 0 0 62 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 107.0 47.0 -60.2 -48.0 -25.5 34.2 7.6 54 243 A L H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 117.0 43.8 -60.5 -48.7 -24.5 36.6 5.0 55 244 A G H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.956 115.1 48.4 -62.1 -50.6 -26.3 39.5 6.7 56 245 A K H X S+ 0 0 72 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.904 110.3 50.4 -57.5 -47.1 -25.1 38.5 10.2 57 246 A L H X S+ 0 0 5 -4,-2.8 4,-3.8 -5,-0.2 5,-0.4 0.960 109.2 52.6 -56.8 -49.8 -21.4 38.2 9.1 58 247 A E H X S+ 0 0 52 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.898 110.2 48.1 -52.7 -41.9 -21.6 41.6 7.5 59 248 A R H X S+ 0 0 125 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.869 115.1 45.0 -67.7 -36.2 -22.9 43.0 10.8 60 249 A E H X S+ 0 0 65 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.907 111.7 50.1 -73.4 -46.3 -20.1 41.3 12.7 61 250 A I H X S+ 0 0 0 -4,-3.8 4,-2.1 1,-0.2 5,-0.2 0.934 112.7 52.1 -55.0 -45.3 -17.3 42.2 10.3 62 251 A T H X S+ 0 0 14 -4,-2.2 4,-2.6 -5,-0.4 5,-0.3 0.883 105.7 49.2 -59.6 -46.8 -18.7 45.8 10.6 63 252 A R H X S+ 0 0 131 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.939 110.0 57.4 -60.3 -42.6 -18.7 46.0 14.4 64 253 A F H X S+ 0 0 5 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.960 113.8 33.3 -50.5 -66.8 -15.1 44.7 14.2 65 254 A F H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-0.4 0.836 118.7 51.8 -62.5 -37.3 -13.8 47.5 12.0 66 255 A V H ><5S+ 0 0 54 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.947 104.9 58.2 -65.4 -43.3 -16.0 50.3 13.4 67 256 A D H 3<5S+ 0 0 107 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.719 110.5 45.1 -58.2 -22.8 -14.9 49.4 16.9 68 257 A R T 3<5S- 0 0 96 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.1 -0.205 127.9 -79.4-122.6 50.8 -11.3 50.0 15.9 69 258 A G T < 5S+ 0 0 49 -3,-1.3 2,-0.4 1,-0.2 63,-0.4 0.333 81.3 130.6 83.3 -5.0 -11.2 53.2 14.0 70 259 A F < - 0 0 8 -5,-2.6 2,-0.3 -6,-0.1 63,-0.3 -0.720 53.1-130.3 -90.9 133.8 -12.4 52.4 10.4 71 260 A L E -a 133 0A 79 61,-3.3 63,-1.6 -2,-0.4 2,-0.6 -0.598 24.6-121.1 -76.7 131.5 -15.1 54.5 8.8 72 261 A E E -a 134 0A 96 -2,-0.3 2,-0.4 61,-0.2 63,-0.2 -0.645 31.1-163.8 -78.6 118.6 -18.0 52.5 7.3 73 262 A I E -a 135 0A 5 61,-2.8 63,-0.6 -2,-0.6 2,-0.3 -0.819 19.5-178.5-106.3 140.5 -18.4 53.1 3.6 74 263 A K + 0 0 112 -2,-0.4 3,-0.1 61,-0.1 61,-0.1 -0.772 23.4 168.1-134.1 85.3 -21.4 52.3 1.4 75 264 A S - 0 0 11 -2,-0.3 41,-0.0 1,-0.2 40,-0.0 -0.494 43.8 -62.7 -95.5 170.8 -20.5 53.4 -2.2 76 265 A P - 0 0 81 0, 0.0 -1,-0.2 0, 0.0 39,-0.1 -0.149 29.6-160.2 -54.5 139.7 -22.2 52.6 -5.5 77 266 A I S S+ 0 0 71 1,-0.2 32,-2.7 -3,-0.1 2,-0.8 0.799 86.1 61.9 -88.4 -34.4 -22.5 49.0 -6.7 78 267 A L E S+G 108 0B 85 30,-0.2 30,-0.2 28,-0.0 -1,-0.2 -0.832 79.4 177.3 -93.5 106.8 -23.1 50.2 -10.3 79 268 A I E -G 107 0B 1 28,-1.8 28,-1.7 -2,-0.8 2,-0.1 -0.709 34.5 -89.7-115.5 165.7 -20.0 52.1 -11.3 80 269 A P E >> -G 106 0B 28 0, 0.0 3,-1.7 0, 0.0 4,-0.7 -0.456 28.8-132.2 -69.4 139.1 -18.7 53.8 -14.5 81 270 A L H >> S+ 0 0 23 24,-3.5 4,-1.7 1,-0.3 3,-1.0 0.851 106.3 69.6 -57.2 -35.2 -16.7 51.6 -16.8 82 271 A E H 3> S+ 0 0 97 23,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.767 93.2 58.4 -53.0 -30.4 -14.1 54.4 -16.9 83 272 A Y H <4 S+ 0 0 58 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.839 102.9 51.8 -68.7 -38.1 -13.3 53.4 -13.2 84 273 A I H X<>S+ 0 0 6 -3,-1.0 5,-1.1 -4,-0.7 3,-1.1 0.902 109.2 49.2 -68.5 -40.0 -12.5 49.9 -14.2 85 274 A E H >X5S+ 0 0 100 -4,-1.7 3,-3.9 1,-0.3 4,-0.7 0.971 105.0 57.2 -62.4 -51.9 -10.0 51.0 -16.9 86 275 A R T 3<5S+ 0 0 82 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.507 99.0 63.6 -58.0 -3.2 -8.3 53.4 -14.5 87 276 A M T <45S- 0 0 30 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.529 130.0 -94.1 -95.7 -11.1 -7.7 50.3 -12.3 88 277 A G T <45S+ 0 0 45 -3,-3.9 2,-0.4 -4,-0.2 -3,-0.2 0.670 91.6 119.4 105.6 23.2 -5.6 48.8 -15.0 89 278 A I << - 0 0 29 -5,-1.1 -3,-0.1 -4,-0.7 -2,-0.1 -0.589 42.2-175.2-120.1 67.9 -8.1 46.7 -16.9 90 279 A D > - 0 0 79 -2,-0.4 3,-1.2 -5,-0.2 6,-0.3 -0.283 46.5 -99.7 -61.4 147.0 -8.0 48.2 -20.4 91 280 A N T 3 S+ 0 0 127 1,-0.3 -1,-0.1 5,-0.1 -6,-0.0 0.647 123.5 65.0 -43.4 -15.5 -10.6 46.8 -22.9 92 281 A D T 3 S+ 0 0 139 4,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.951 80.7 87.6 -74.8 -54.1 -7.6 44.8 -24.1 93 282 A T S < S- 0 0 42 -3,-1.2 3,-0.3 1,-0.1 4,-0.2 0.120 83.2-122.1 -41.9 161.2 -6.9 42.7 -20.9 94 283 A E S >> S+ 0 0 129 1,-0.2 3,-2.2 2,-0.2 4,-0.6 0.859 107.9 66.8 -79.4 -36.6 -8.9 39.4 -20.6 95 284 A L H 3> S+ 0 0 64 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.709 83.7 80.3 -56.7 -19.5 -10.5 40.3 -17.3 96 285 A S H >4 S+ 0 0 6 -6,-0.3 3,-0.5 -3,-0.3 -1,-0.3 0.790 90.0 49.6 -59.3 -30.7 -12.4 42.9 -19.4 97 286 A K H <4 S+ 0 0 175 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.782 99.7 66.3 -79.6 -26.0 -14.8 40.3 -20.6 98 287 A Q H 3< S+ 0 0 58 -4,-0.6 44,-2.7 -3,-0.5 2,-0.3 0.610 82.2 98.0 -69.0 -13.3 -15.4 39.1 -17.0 99 288 A I S << S- 0 0 10 -4,-0.5 2,-0.9 -3,-0.5 42,-0.1 -0.625 76.3-130.9 -82.0 134.0 -17.0 42.4 -16.2 100 289 A F - 0 0 47 8,-0.4 8,-2.6 -2,-0.3 2,-0.1 -0.763 30.2-153.6 -85.3 107.9 -20.8 42.6 -16.3 101 290 A R E -H 107 0B 108 -2,-0.9 2,-0.4 6,-0.2 6,-0.3 -0.460 16.4-169.1 -85.4 155.6 -21.7 45.7 -18.3 102 291 A V E >> -H 106 0B 49 4,-2.1 4,-0.9 1,-0.3 3,-0.6 -0.958 63.3 -24.1-142.4 117.1 -24.8 47.9 -18.1 103 292 A D T 34 S- 0 0 111 -2,-0.4 -1,-0.3 1,-0.2 0, 0.0 0.014 95.3 -66.7 66.6 179.7 -25.3 50.5 -20.9 104 293 A K T 34 S+ 0 0 202 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.195 134.3 35.0 -88.3 17.0 -22.4 51.9 -22.9 105 294 A N T <4 S+ 0 0 60 -3,-0.6 -24,-3.5 1,-0.1 -23,-0.3 0.618 107.1 51.2-133.7 -54.3 -21.1 53.6 -19.8 106 295 A F E < +GH 80 102B 75 -4,-0.9 -4,-2.1 -26,-0.3 2,-0.3 -0.183 48.7 174.1 -90.7-179.0 -21.6 51.7 -16.5 107 296 A C E -GH 79 101B 0 -28,-1.7 -28,-1.8 -6,-0.3 2,-0.6 -0.959 41.7 -76.7-168.5 175.5 -21.0 48.2 -15.2 108 297 A L E -G 78 0B 40 -8,-2.6 -8,-0.4 -2,-0.3 -30,-0.2 -0.795 54.2-109.4 -91.4 119.9 -21.2 46.0 -12.0 109 298 A R - 0 0 4 -32,-2.7 31,-1.8 -2,-0.6 3,-0.1 -0.227 29.3-170.1 -51.3 115.4 -18.4 46.8 -9.6 110 299 A P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.662 72.9 10.9 -82.7 -16.7 -16.1 43.7 -9.7 111 300 A M - 0 0 52 28,-0.1 4,-0.3 27,-0.1 29,-0.0 -0.972 68.6-122.1-152.7 167.7 -14.1 45.1 -6.7 112 301 A L S > S+ 0 0 0 -2,-0.3 4,-1.6 1,-0.1 3,-0.3 0.614 84.6 94.2 -89.0 -13.5 -14.3 47.8 -4.1 113 302 A A H > S+ 0 0 28 1,-0.2 4,-2.9 2,-0.2 3,-0.5 0.881 77.9 52.9 -46.9 -60.5 -11.0 49.5 -4.9 114 303 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.922 113.4 44.4 -47.5 -48.5 -12.1 52.3 -7.2 115 304 A N H > S+ 0 0 10 -4,-0.3 4,-1.2 -3,-0.3 -2,-0.2 0.784 113.7 49.0 -69.9 -27.7 -14.7 53.6 -4.8 116 305 A L H X S+ 0 0 8 -4,-1.6 4,-2.7 -3,-0.5 -1,-0.2 0.878 108.5 55.1 -77.1 -35.5 -12.4 53.4 -1.8 117 306 A Y H X S+ 0 0 14 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.971 107.7 49.0 -56.5 -56.1 -9.6 55.2 -3.7 118 307 A N H X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.851 112.7 49.3 -52.7 -37.5 -12.0 58.0 -4.4 119 308 A Y H X S+ 0 0 91 -4,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.871 107.2 52.9 -71.5 -38.6 -12.9 58.1 -0.7 120 309 A L H X S+ 0 0 4 -4,-2.7 4,-1.6 -3,-0.2 -2,-0.2 0.946 112.7 45.7 -61.3 -47.1 -9.3 58.1 0.4 121 310 A R H >X S+ 0 0 80 -4,-2.3 3,-0.6 1,-0.2 4,-0.6 0.986 117.5 42.4 -58.4 -61.3 -8.6 61.1 -1.8 122 311 A K H >< S+ 0 0 131 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.870 116.6 46.8 -54.7 -43.8 -11.7 63.0 -0.8 123 312 A L H >X S+ 0 0 31 -4,-3.0 4,-2.5 1,-0.2 3,-1.9 0.708 94.2 74.7 -75.0 -21.6 -11.5 62.2 3.0 124 313 A D H << S+ 0 0 62 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.766 90.0 61.6 -62.1 -22.7 -7.8 63.1 3.3 125 314 A R T << S+ 0 0 228 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.1 0.297 119.7 21.2 -86.0 9.5 -8.9 66.7 3.1 126 315 A A T <4 S+ 0 0 81 -3,-1.9 -2,-0.2 1,-0.2 -1,-0.1 0.467 106.0 78.9-147.6 -20.6 -10.9 66.5 6.2 127 316 A L S < S- 0 0 66 -4,-2.5 -1,-0.2 1,-0.1 4,-0.1 -0.785 73.5-115.9-106.5 144.1 -9.8 63.6 8.4 128 317 A P - 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