==== 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 15-JUN-09 3HV0 . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM IOWA II; . AUTHOR T.ARAKAKI,E.A.MERRITT . 706 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 36 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.1 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 5 2 1 2 4 4 2 5 0 2 2 0 3 0 1 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 6 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 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 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 1 220 A N 0 0 115 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 31.1 27.1 -19.3 6.6 2 221 A K > + 0 0 159 2,-0.2 4,-2.4 3,-0.1 5,-0.1 0.779 360.0 45.3 -98.4 -40.8 25.1 -21.5 9.0 3 222 A L H > S+ 0 0 119 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.893 108.5 60.5 -58.6 -41.7 24.0 -18.6 11.2 4 223 A I H 4>S+ 0 0 12 1,-0.2 5,-1.7 2,-0.2 4,-0.4 0.839 110.5 39.4 -61.2 -34.9 23.2 -16.7 8.0 5 224 A D H >45S+ 0 0 79 -4,-0.3 3,-1.3 3,-0.2 -1,-0.2 0.916 111.8 57.3 -76.3 -47.1 20.7 -19.4 7.1 6 225 A K H 3<5S+ 0 0 179 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.841 101.5 56.3 -50.6 -43.3 19.4 -19.8 10.7 7 226 A F T 3<5S- 0 0 81 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.802 124.2-107.7 -59.0 -30.5 18.6 -16.0 10.8 8 227 A G T < 5S+ 0 0 47 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.2 0.581 70.3 141.7 109.4 18.8 16.4 -16.7 7.8 9 228 A C < - 0 0 12 -5,-1.7 2,-0.4 32,-0.1 -1,-0.2 -0.297 40.7-137.9 -83.2 169.8 18.5 -15.0 5.1 10 229 A K E -A 40 0A 126 30,-1.7 30,-2.1 -2,-0.1 2,-0.2 -0.970 18.9-117.0-124.4 144.6 19.1 -16.1 1.5 11 230 A L E -A 39 0A 77 -2,-0.4 2,-0.3 28,-0.2 28,-0.3 -0.600 37.7-105.1 -77.9 145.3 22.4 -16.1 -0.4 12 231 A I - 0 0 16 26,-2.4 2,-0.2 -2,-0.2 -1,-0.1 -0.550 41.3-144.3 -75.9 125.8 22.4 -13.9 -3.5 13 232 A T > - 0 0 62 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.620 20.3-123.3 -98.7 152.5 22.2 -16.1 -6.6 14 233 A K H > S+ 0 0 181 -2,-0.2 4,-4.1 2,-0.2 5,-0.4 0.930 117.5 56.0 -55.1 -44.0 23.8 -15.7 -10.0 15 234 A D H > S+ 0 0 120 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.966 107.9 47.1 -49.7 -56.3 20.3 -15.8 -11.4 16 235 A M H > S+ 0 0 21 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.875 116.4 44.7 -52.8 -41.1 19.4 -12.9 -9.1 17 236 A I H X S+ 0 0 25 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.929 114.9 45.7 -74.2 -47.3 22.5 -11.0 -10.2 18 237 A E H X S+ 0 0 91 -4,-4.1 4,-2.3 1,-0.2 5,-0.2 0.913 108.2 60.3 -55.9 -40.8 22.2 -11.7 -13.9 19 238 A R H X S+ 0 0 63 -4,-3.4 4,-0.9 -5,-0.4 -1,-0.2 0.845 108.4 44.7 -60.3 -34.5 18.5 -10.8 -13.5 20 239 A M H >X S+ 0 0 1 -4,-1.2 4,-1.0 -3,-0.3 3,-0.8 0.954 109.2 50.4 -72.1 -58.3 19.5 -7.3 -12.4 21 240 A E H >X S+ 0 0 64 -4,-2.1 4,-1.7 1,-0.3 3,-0.6 0.865 111.0 54.1 -49.5 -40.6 22.3 -6.5 -15.0 22 241 A R H 3< S+ 0 0 172 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.883 111.1 45.9 -53.7 -42.8 19.6 -7.6 -17.5 23 242 A L H << S+ 0 0 58 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.455 120.4 33.0 -90.6 -8.1 17.2 -5.1 -16.1 24 243 A T H << S- 0 0 28 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.535 92.5-125.4-123.4 -14.0 19.4 -2.0 -15.7 25 244 A G S < S+ 0 0 73 -4,-1.7 2,-0.4 1,-0.3 -3,-0.1 0.566 76.6 112.0 75.0 8.2 21.9 -2.1 -18.6 26 245 A Q S S- 0 0 82 -5,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 -0.921 73.1-117.3-113.1 140.6 24.8 -1.9 -16.2 27 246 A K - 0 0 145 -2,-0.4 2,-0.1 1,-0.1 3,-0.1 -0.392 51.0 -86.1 -65.2 153.5 27.3 -4.6 -15.4 28 247 A A - 0 0 3 1,-0.1 -1,-0.1 -2,-0.1 5,-0.1 -0.368 40.1-106.6 -76.1 142.0 27.1 -5.7 -11.8 29 248 A H >> - 0 0 37 1,-0.1 3,-1.9 -2,-0.1 4,-0.7 -0.379 31.5-119.6 -59.9 140.7 29.0 -4.0 -9.0 30 249 A H H 3> S+ 0 0 20 1,-0.3 4,-2.6 2,-0.2 6,-0.2 0.730 105.6 77.3 -62.7 -21.7 31.9 -6.2 -7.9 31 250 A F H 34>S+ 0 0 6 1,-0.2 6,-2.4 2,-0.2 5,-1.7 0.716 97.7 51.2 -59.1 -15.8 30.6 -6.5 -4.3 32 251 A F H X45S+ 0 0 2 -3,-1.9 3,-2.0 3,-0.2 -2,-0.2 0.953 110.0 44.6 -78.8 -60.0 28.2 -9.0 -5.8 33 252 A R H 3<5S+ 0 0 92 -4,-0.7 -2,-0.2 1,-0.3 -3,-0.1 0.826 116.4 46.6 -50.8 -40.7 30.8 -11.1 -7.6 34 253 A R T 3<5S- 0 0 18 -4,-2.6 -1,-0.3 254,-0.1 -2,-0.1 0.406 110.3-121.0 -88.1 1.9 33.1 -11.1 -4.6 35 254 A N T < 5S+ 0 0 100 -3,-2.0 3,-0.3 2,-0.3 -3,-0.2 0.864 73.2 131.3 56.1 42.0 30.3 -12.0 -2.2 36 255 A I S S+ 0 0 43 -2,-0.4 4,-0.8 189,-0.2 3,-0.4 0.769 82.3 142.3 52.2 33.2 13.1 -10.3 -0.5 43 262 A F H > + 0 0 1 189,-0.2 4,-1.4 1,-0.2 3,-0.4 0.805 69.6 65.1 -63.1 -31.6 15.6 -8.5 -2.8 44 263 A E H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.826 93.9 60.2 -62.6 -26.8 13.8 -10.5 -5.5 45 264 A K H > S+ 0 0 25 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.896 101.1 53.5 -64.4 -39.4 10.7 -8.4 -4.6 46 265 A I H X S+ 0 0 0 -4,-0.8 4,-2.9 -3,-0.4 5,-0.2 0.906 109.7 46.2 -62.1 -43.3 12.6 -5.2 -5.6 47 266 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.855 110.3 54.6 -68.5 -34.5 13.5 -6.6 -9.0 48 267 A D H X S+ 0 0 85 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.949 112.1 44.4 -59.1 -49.6 9.9 -7.7 -9.4 49 268 A V H ><>S+ 0 0 15 -4,-2.4 5,-1.8 1,-0.2 3,-0.5 0.896 114.5 46.7 -61.9 -45.8 8.8 -4.1 -8.7 50 269 A Y H ><5S+ 0 0 58 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.840 106.6 60.5 -69.7 -31.2 11.4 -2.6 -10.9 51 270 A E H 3<5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 102.7 53.3 -56.5 -34.9 10.5 -5.1 -13.6 52 271 A K T <<5S- 0 0 70 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.312 121.0-105.7 -87.0 5.4 6.9 -3.6 -13.5 53 272 A G T < 5S+ 0 0 66 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.485 77.3 136.5 80.0 3.8 8.1 0.0 -14.1 54 273 A E < - 0 0 105 -5,-1.8 -1,-0.3 -6,-0.2 2,-0.2 -0.577 48.6-129.6 -88.5 148.1 7.4 0.9 -10.4 55 274 A L + 0 0 89 -2,-0.2 147,-0.4 -3,-0.1 2,-0.2 -0.512 26.0 173.7 -90.4 160.6 9.7 3.0 -8.2 56 275 A F - 0 0 1 -2,-0.2 2,-0.3 145,-0.1 147,-0.2 -0.783 21.8-118.5-144.8-173.9 11.0 2.1 -4.7 57 276 A Y E -c 203 0A 0 145,-2.0 147,-3.0 -2,-0.2 2,-0.3 -0.962 8.9-129.0-138.8 158.7 13.5 3.7 -2.3 58 277 A L E -cd 204 91A 0 32,-2.1 34,-1.5 -2,-0.3 2,-0.4 -0.761 18.2-170.6-101.2 146.5 16.8 2.9 -0.6 59 278 A Y E + d 0 92A 0 145,-2.0 2,-0.3 -2,-0.3 34,-0.2 -0.960 17.3 151.1-138.6 121.3 17.4 3.4 3.2 60 279 A T E - d 0 93A 1 32,-1.8 34,-1.6 -2,-0.4 2,-0.3 -0.871 18.4-164.3-136.7 173.7 20.8 3.1 4.8 61 280 A G E - d 0 94A 7 145,-0.3 2,-0.3 -2,-0.3 34,-0.2 -0.911 14.6-146.8-155.1 178.5 22.4 4.6 7.9 62 281 A R E - d 0 95A 4 32,-2.2 34,-2.2 -2,-0.3 57,-0.0 -0.981 15.0-139.7-155.5 134.6 25.4 5.5 10.1 63 282 A G - 0 0 1 -2,-0.3 2,-1.9 32,-0.2 3,-0.2 -0.891 21.4-140.7-101.3 109.0 26.0 5.8 13.8 64 283 A P + 0 0 0 0, 0.0 52,-0.2 0, 0.0 51,-0.2 -0.462 52.1 135.8 -73.5 79.4 28.2 8.8 14.6 65 284 A S S S+ 0 0 49 -2,-1.9 2,-0.3 50,-0.1 47,-0.0 0.458 72.4 37.2 -95.9 -6.9 30.6 7.5 17.3 66 285 A S S S- 0 0 22 -3,-0.2 53,-0.1 49,-0.1 -1,-0.1 -0.974 82.1-120.5-142.7 155.7 33.6 9.1 15.7 67 286 A E S S+ 0 0 114 -2,-0.3 2,-0.3 51,-0.1 -1,-0.1 0.802 98.7 40.5 -69.1 -30.2 34.2 12.3 13.8 68 287 A S S S- 0 0 9 54,-0.0 2,-0.2 -3,-0.0 51,-0.1 -0.891 86.4-114.0-120.3 150.5 35.4 10.5 10.6 69 288 A L - 0 0 0 -2,-0.3 178,-2.3 50,-0.1 179,-0.3 -0.565 29.1-123.2 -76.0 141.3 34.1 7.3 8.9 70 289 A H B -G 246 0B 54 176,-0.2 4,-0.3 -2,-0.2 176,-0.3 -0.403 26.2-113.9 -70.0 162.0 36.3 4.2 8.8 71 290 A V S > S+ 0 0 5 174,-2.4 3,-1.1 1,-0.2 4,-0.3 0.805 118.7 63.4 -68.0 -25.7 37.0 2.9 5.3 72 291 A G T > S+ 0 0 23 173,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.876 95.8 58.5 -63.5 -37.8 35.0 -0.1 6.4 73 292 A H T 3> S+ 0 0 59 1,-0.3 4,-0.7 -3,-0.2 -1,-0.3 0.590 93.4 66.8 -69.0 -13.8 32.0 2.1 6.7 74 293 A L H <> S+ 0 0 5 -3,-1.1 4,-3.1 -4,-0.3 5,-0.3 0.572 81.2 81.4 -80.2 -11.7 32.3 3.1 3.1 75 294 A V H <> S+ 0 0 10 -3,-1.6 4,-1.6 -4,-0.3 -2,-0.2 0.968 98.3 35.7 -62.2 -52.5 31.4 -0.4 2.0 76 295 A P H > S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.905 120.1 50.4 -69.0 -33.5 27.6 0.0 2.4 77 296 A F H X S+ 0 0 4 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.925 110.0 47.7 -68.7 -47.0 27.7 3.7 1.2 78 297 A L H X S+ 0 0 64 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.880 113.6 50.6 -58.9 -38.0 29.7 3.0 -1.9 79 298 A F H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.919 108.2 50.9 -68.0 -43.3 27.3 0.1 -2.7 80 299 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.830 106.1 55.0 -61.0 -37.5 24.2 2.2 -2.2 81 300 A K H X S+ 0 0 50 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.947 108.4 49.6 -61.1 -45.3 25.6 4.9 -4.6 82 301 A Y H X S+ 0 0 20 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.911 111.8 48.1 -59.1 -43.1 26.0 2.2 -7.2 83 302 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.843 111.9 49.8 -66.6 -33.5 22.4 1.1 -6.5 84 303 A Q H X S+ 0 0 3 -4,-2.3 4,-1.6 1,-0.2 5,-0.3 0.884 113.7 45.3 -71.4 -38.6 21.2 4.7 -6.8 85 304 A D H < S+ 0 0 69 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.822 117.5 44.9 -70.5 -33.2 23.0 5.1 -10.1 86 305 A T H < S+ 0 0 8 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.919 126.7 26.2 -82.3 -45.5 21.7 1.8 -11.4 87 306 A F H < S- 0 0 2 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.665 92.0-139.3 -91.6 -19.4 18.1 2.0 -10.4 88 307 A K < + 0 0 155 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.911 51.2 147.6 62.4 45.2 17.9 5.8 -10.3 89 308 A V - 0 0 0 -5,-0.3 -1,-0.2 -6,-0.3 -32,-0.1 -0.689 53.1 -91.2-112.5 162.0 15.8 5.8 -7.2 90 309 A P - 0 0 7 0, 0.0 -32,-2.1 0, 0.0 2,-0.3 -0.387 39.6-152.4 -65.4 152.5 15.4 8.1 -4.1 91 310 A L E -de 58 133A 2 41,-3.0 43,-2.5 -34,-0.2 2,-0.4 -0.962 9.5-163.2-131.7 149.9 17.6 7.5 -1.1 92 311 A V E -de 59 134A 1 -34,-1.5 -32,-1.8 -2,-0.3 2,-0.4 -0.995 8.0-167.4-135.7 127.1 17.1 8.2 2.6 93 312 A I E -de 60 135A 0 41,-2.4 43,-2.0 -2,-0.4 2,-0.6 -0.977 5.4-155.4-130.4 123.1 20.0 8.2 5.1 94 313 A Q E -de 61 136A 0 -34,-1.6 -32,-2.2 -2,-0.4 2,-0.8 -0.818 3.9-160.5-105.0 118.7 19.8 8.3 9.0 95 314 A L E -de 62 137A 0 41,-3.1 43,-2.0 -2,-0.6 2,-1.7 -0.875 15.9-150.1 -95.0 113.8 22.5 9.6 11.2 96 315 A T > + 0 0 0 -34,-2.2 4,-1.4 -2,-0.8 5,-0.2 -0.373 37.8 151.7 -88.6 63.8 21.7 8.1 14.6 97 316 A D H > S+ 0 0 0 -2,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.806 76.4 55.3 -62.5 -28.4 23.1 10.7 17.0 98 317 A D H > S+ 0 0 1 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.916 104.4 52.9 -63.0 -46.6 20.4 9.5 19.6 99 318 A E H > S+ 0 0 9 -3,-0.2 4,-2.8 2,-0.2 5,-0.2 0.887 109.8 44.8 -57.5 -47.2 21.6 5.8 19.4 100 319 A K H X S+ 0 0 37 -4,-1.4 4,-1.2 1,-0.3 -1,-0.2 0.825 111.2 52.0 -81.8 -32.3 25.3 6.4 20.2 101 320 A F H < S+ 0 0 14 -4,-1.1 -1,-0.3 -5,-0.2 6,-0.3 0.868 115.7 45.7 -60.0 -36.5 24.7 8.8 22.9 102 321 A I H < S+ 0 0 4 -4,-1.6 -2,-0.3 1,-0.2 73,-0.2 0.930 119.6 35.7 -73.8 -44.5 22.4 6.1 24.3 103 322 A F H < S+ 0 0 56 -4,-2.8 2,-0.5 1,-0.2 -1,-0.2 0.473 109.3 64.6 -92.4 -6.2 24.6 3.0 23.9 104 323 A K >< - 0 0 106 -4,-1.2 3,-1.0 -5,-0.2 -1,-0.2 -0.847 61.5-162.2-128.4 94.9 28.1 4.6 24.6 105 324 A S T 3 S+ 0 0 94 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.724 88.9 64.1 -43.1 -35.8 28.5 5.9 28.2 106 325 A N T 3 S+ 0 0 126 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.083 93.8 85.1 -84.4 33.2 31.5 8.0 27.1 107 326 A L < - 0 0 15 -3,-1.0 2,-0.3 -6,-0.3 -42,-0.0 -0.955 53.1-162.9-137.5 156.5 29.3 10.2 24.8 108 327 A T > - 0 0 61 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.884 34.0-115.2-129.4 165.5 27.1 13.3 24.8 109 328 A L H > S+ 0 0 8 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.826 114.1 59.4 -74.1 -31.1 24.5 14.6 22.4 110 329 A E H > S+ 0 0 144 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 111.7 39.8 -58.6 -46.9 26.6 17.7 21.7 111 330 A E H > S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.902 116.5 49.9 -68.5 -43.7 29.5 15.5 20.4 112 331 A T H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.812 110.3 50.8 -65.1 -33.3 27.2 13.0 18.6 113 332 A H H X S+ 0 0 49 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.948 114.3 42.9 -72.4 -48.2 25.4 15.9 16.9 114 333 A N H X S+ 0 0 86 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.884 113.1 52.1 -60.5 -43.1 28.7 17.4 15.7 115 334 A Y H X S+ 0 0 53 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.828 106.7 56.7 -63.5 -34.8 30.1 14.0 14.7 116 335 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.924 106.7 47.2 -58.2 -47.4 26.9 13.5 12.8 117 336 A Y H X S+ 0 0 57 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.877 113.3 46.5 -70.7 -35.8 27.4 16.7 10.7 118 337 A E H >X S+ 0 0 54 -4,-2.2 4,-1.5 1,-0.2 3,-0.7 0.931 109.9 55.4 -67.5 -44.6 31.0 15.9 9.9 119 338 A N H 3X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.852 100.4 60.0 -52.4 -39.5 30.0 12.3 9.0 120 339 A M H 3X S+ 0 0 0 -4,-1.9 4,-3.5 1,-0.2 -1,-0.2 0.866 101.2 54.5 -56.7 -40.8 27.5 13.8 6.5 121 340 A K H < S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 5,-0.3 0.958 111.6 45.7 -67.6 -47.5 28.8 10.6 3.3 124 343 A I H >< S+ 0 0 13 -4,-3.5 3,-2.0 1,-0.3 4,-0.5 0.821 100.0 71.4 -63.9 -30.9 28.1 13.3 0.6 125 344 A A T 3< S+ 0 0 4 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.570 80.5 75.1 -62.7 -10.1 31.7 12.8 -0.6 126 345 A C T < S- 0 0 15 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.477 116.5-106.7 -79.4 -4.8 30.7 9.4 -2.0 127 346 A G < + 0 0 39 -3,-2.0 -2,-0.1 1,-0.2 -3,-0.1 0.771 55.5 169.4 88.3 29.6 29.0 11.3 -4.9 128 347 A F - 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