==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUN-12 4AZ7 . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.PLUVINAGE,K.A.STUBBS,D.J.VOCADLO,A.B.BORASTON . 433 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.9 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 0 3 0 0 1 2 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 1 1 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 PARALLEL BRIDGES PER LADDER . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 1 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 1 181 A N > 0 0 155 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -33.8 29.0 47.8 2.4 2 182 A E T 4 + 0 0 167 2,-0.2 4,-0.4 1,-0.2 362,-0.0 0.857 360.0 49.9 -63.9 -36.9 28.9 44.0 3.0 3 183 A K T >4 S+ 0 0 80 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.947 111.0 46.5 -67.7 -49.5 28.7 44.7 6.7 4 184 A L T 34 S+ 0 0 39 1,-0.3 -1,-0.2 359,-0.1 -2,-0.2 0.786 104.7 63.3 -65.3 -24.6 25.8 47.1 6.5 5 185 A A T 3< S+ 0 0 86 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.632 84.8 96.3 -76.1 -14.5 23.9 44.8 4.1 6 186 A K S < S- 0 0 51 -3,-1.4 325,-0.3 -4,-0.4 2,-0.2 -0.358 84.7-102.7 -74.0 156.5 23.6 42.1 6.7 7 187 A K E -a 331 0A 43 323,-2.8 325,-2.1 30,-0.1 2,-0.5 -0.570 28.9-164.7 -74.1 139.2 20.5 41.7 8.9 8 188 A K E -a 332 0A 2 -2,-0.2 29,-3.0 323,-0.2 30,-1.7 -0.981 20.7-177.1-125.7 116.8 20.7 43.0 12.5 9 189 A I E -ab 333 38A 0 323,-2.5 325,-2.4 -2,-0.5 2,-0.5 -0.903 27.1-155.4-126.8 140.2 17.9 41.6 14.5 10 190 A V E -ab 334 39A 0 28,-1.8 30,-3.0 -2,-0.4 2,-0.4 -0.972 20.8-152.1-107.7 130.8 16.5 41.8 18.0 11 191 A S E -ab 335 40A 0 323,-2.9 325,-2.6 -2,-0.5 2,-0.4 -0.868 9.3-168.3-106.6 137.7 14.4 38.8 19.1 12 192 A I E -ab 336 41A 2 28,-2.7 30,-2.3 -2,-0.4 2,-1.7 -0.991 21.2-136.3-129.0 124.3 11.6 39.0 21.6 13 193 A D E > + b 0 42A 2 323,-1.5 4,-0.8 -2,-0.4 30,-0.1 -0.610 40.9 153.1 -79.8 81.9 9.9 36.1 23.3 14 194 A A T 4 + 0 0 5 -2,-1.7 5,-0.2 28,-1.2 35,-0.2 -0.024 62.3 74.0 -96.6 25.7 6.2 37.1 23.1 15 195 A G T 4 S+ 0 0 0 29,-0.1 -1,-0.1 33,-0.1 30,-0.1 0.793 103.7 32.5 -94.7 -51.7 5.2 33.5 23.1 16 196 A R T 4 S+ 0 0 19 1,-0.1 2,-0.4 30,-0.1 -2,-0.2 0.855 129.9 32.7 -71.7 -33.8 5.9 32.8 26.8 17 197 A K S < S- 0 0 7 -4,-0.8 2,-0.2 30,-0.1 -1,-0.1 -0.946 84.7-110.0-131.8 143.0 5.0 36.3 27.9 18 198 A Y - 0 0 31 -2,-0.4 2,-0.4 68,-0.2 -3,-0.1 -0.527 29.0-174.7 -72.7 134.5 2.5 39.0 26.7 19 199 A F - 0 0 6 -2,-0.2 -5,-0.0 -5,-0.2 -2,-0.0 -0.999 20.8-131.8-124.0 132.4 3.9 42.2 25.1 20 200 A S > - 0 0 21 -2,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.384 22.2-113.0 -77.7 158.7 1.5 45.0 24.2 21 201 A P H > S+ 0 0 15 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.923 121.0 54.6 -53.9 -41.4 1.4 46.7 20.8 22 202 A E H > S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.924 109.2 45.6 -58.8 -47.3 2.6 49.8 22.6 23 203 A Q H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 113.5 49.5 -62.8 -42.3 5.6 47.9 24.1 24 204 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.889 108.3 53.6 -66.6 -37.4 6.5 46.3 20.7 25 205 A K H X S+ 0 0 53 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.890 106.8 52.3 -60.9 -39.4 6.3 49.7 19.0 26 206 A E H X S+ 0 0 80 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.899 109.4 49.5 -63.5 -41.1 8.7 51.1 21.5 27 207 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.926 109.9 50.9 -63.9 -43.9 11.1 48.2 20.8 28 208 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.908 107.7 54.4 -57.4 -43.5 10.8 48.9 17.0 29 209 A D H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.920 111.9 42.9 -57.0 -46.6 11.6 52.5 17.7 30 210 A K H X S+ 0 0 68 -4,-2.0 4,-2.8 2,-0.2 6,-0.2 0.873 110.9 55.2 -70.1 -37.7 14.8 51.6 19.5 31 211 A A H X>S+ 0 0 0 -4,-2.8 5,-2.7 2,-0.2 4,-0.8 0.962 111.3 44.9 -57.4 -49.3 15.7 49.0 16.9 32 212 A K H ><5S+ 0 0 96 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.959 114.0 50.2 -58.2 -50.5 15.4 51.6 14.1 33 213 A H H 3<5S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.891 111.2 47.1 -54.3 -47.2 17.4 54.2 16.2 34 214 A Y H 3<5S- 0 0 12 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.481 122.2-102.3 -81.6 -3.0 20.2 51.8 17.0 35 215 A G T <<5 + 0 0 2 -3,-1.3 331,-1.6 -4,-0.8 -3,-0.2 0.666 67.5 149.5 95.5 18.2 20.6 50.7 13.3 36 216 A Y < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -27,-0.2 -0.297 36.7-154.3 -72.8 164.7 18.8 47.3 13.3 37 217 A T + 0 0 37 -29,-3.0 70,-2.7 1,-0.3 2,-0.3 0.593 66.9 23.6-110.2 -22.1 17.0 45.9 10.3 38 218 A D E -bc 9 107A 4 -30,-1.7 -28,-1.8 68,-0.3 2,-0.5 -0.994 52.8-140.3-151.1 150.0 14.4 43.5 11.9 39 219 A L E -bc 10 108A 0 68,-2.7 70,-2.7 -2,-0.3 2,-0.7 -0.969 19.2-155.6-104.7 126.4 12.3 42.5 14.9 40 220 A H E -bc 11 109A 0 -30,-3.0 -28,-2.7 -2,-0.5 2,-0.7 -0.916 16.5-170.8-103.3 107.8 12.1 38.7 15.4 41 221 A L E -bc 12 110A 0 68,-1.8 70,-1.5 -2,-0.7 2,-0.5 -0.879 13.0-153.8-109.0 106.5 8.9 38.3 17.3 42 222 A L E +bc 13 111A 0 -30,-2.3 -28,-1.2 -2,-0.7 3,-0.2 -0.684 24.1 164.0 -73.4 127.5 8.2 34.8 18.7 43 223 A V E S+ 0 0 1 68,-2.8 6,-2.8 -2,-0.5 2,-0.6 0.584 71.1 47.5-114.1 -24.0 4.4 34.5 19.1 44 224 A G E S+Dc 48 112A 2 67,-2.3 69,-2.4 4,-0.2 -1,-0.3 -0.964 70.0 126.1-114.6 106.6 4.3 30.7 19.4 45 225 A N S S- 0 0 1 2,-3.0 2,-2.0 -2,-0.6 73,-0.2 -0.594 97.2 -44.9-164.2 94.3 6.9 29.7 22.0 46 226 A D S S+ 0 0 6 71,-2.4 74,-2.8 -2,-0.2 75,-0.3 -0.575 141.7 50.0 66.3 -76.0 5.4 27.5 24.8 47 227 A G S S- 0 0 1 -2,-2.0 -2,-3.0 72,-0.2 2,-0.4 -0.385 83.0-140.8 -72.9 161.5 2.5 30.1 24.9 48 228 A L B +D 44 0A 1 25,-0.3 -4,-0.2 -4,-0.2 29,-0.2 -0.966 26.2 170.0-126.1 116.2 0.7 31.1 21.7 49 229 A R + 0 0 3 -6,-2.8 40,-2.4 -2,-0.4 2,-0.3 -0.244 46.0 80.9-130.7 42.6 -0.1 34.8 21.8 50 230 A F E -k 89 0B 1 38,-0.2 2,-0.5 -7,-0.1 40,-0.2 -0.912 52.6-169.7-150.6 120.2 -1.3 35.7 18.3 51 231 A M E -k 90 0B 7 38,-2.7 40,-0.7 -2,-0.3 2,-0.1 -0.948 11.5-146.4-116.1 123.0 -4.9 35.2 17.1 52 232 A L - 0 0 7 -2,-0.5 3,-0.2 38,-0.2 112,-0.0 -0.392 28.2-115.1 -73.6 161.1 -6.0 35.6 13.4 53 233 A D S S+ 0 0 93 1,-0.3 2,-0.6 -2,-0.1 -1,-0.1 0.889 112.5 39.8 -63.7 -40.4 -9.6 36.8 12.7 54 234 A D + 0 0 76 1,-0.1 -1,-0.3 109,-0.1 -2,-0.1 -0.950 64.3 164.1-109.8 107.8 -10.4 33.4 11.1 55 235 A M + 0 0 0 -2,-0.6 -1,-0.1 -3,-0.2 9,-0.1 0.123 25.7 138.2-105.7 15.0 -8.8 30.6 13.1 56 236 A S - 0 0 26 13,-0.1 2,-0.4 7,-0.1 9,-0.2 -0.402 37.7-158.7 -60.0 139.3 -10.8 27.8 11.6 57 237 A I E -L 64 0C 2 7,-1.9 7,-3.2 2,-0.1 2,-0.6 -0.988 10.2-154.3-130.4 126.4 -8.6 24.8 10.8 58 238 A T E +L 63 0C 96 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.891 43.6 117.1-103.8 117.5 -9.3 22.0 8.3 59 239 A A E > +L 62 0C 12 3,-1.7 3,-1.6 -2,-0.6 -2,-0.1 -0.938 54.6 38.8-166.1 160.9 -7.5 18.7 9.2 60 240 A N T 3 S- 0 0 45 -2,-0.3 3,-0.1 1,-0.3 92,-0.1 0.815 128.2 -61.6 59.1 34.0 -8.5 15.2 10.1 61 241 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.660 122.3 65.7 68.4 19.4 -11.3 15.2 7.6 62 242 A K E < S-L 59 0C 107 -3,-1.6 -3,-1.7 -5,-0.0 2,-0.4 -0.863 79.4-109.9-148.0-178.2 -13.2 18.0 9.4 63 243 A T E -L 58 0C 79 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.994 20.5-142.3-120.7 134.3 -13.0 21.7 10.2 64 244 A Y E -L 57 0C 23 -7,-3.2 -7,-1.9 -2,-0.4 5,-0.1 -0.872 37.1-109.7 -91.2 123.4 -12.4 22.9 13.7 65 245 A A > - 0 0 47 -2,-0.6 4,-2.6 -9,-0.2 3,-0.4 -0.196 16.9-123.1 -62.5 145.6 -14.5 26.0 14.1 66 246 A S H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.908 110.6 47.8 -54.3 -47.0 -12.8 29.4 14.4 67 247 A D H > S+ 0 0 122 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.832 112.8 49.1 -68.9 -28.4 -14.3 30.3 17.7 68 248 A D H > S+ 0 0 98 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.883 111.1 49.2 -76.3 -41.3 -13.5 26.9 19.2 69 249 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.924 112.2 50.1 -61.1 -43.7 -9.9 27.1 18.0 70 250 A K H X S+ 0 0 52 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.938 113.1 44.2 -58.3 -48.7 -9.7 30.6 19.5 71 251 A R H X S+ 0 0 196 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.909 113.3 52.1 -65.4 -39.7 -11.1 29.5 22.9 72 252 A A H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.887 113.5 43.7 -61.1 -44.1 -8.9 26.4 22.8 73 253 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -25,-0.3 0.928 113.4 49.8 -69.8 -46.3 -5.7 28.5 22.2 74 254 A E H X S+ 0 0 78 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.952 116.8 42.9 -54.7 -47.2 -6.6 31.2 24.7 75 255 A K H X S+ 0 0 107 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.918 113.4 51.1 -63.4 -45.7 -7.3 28.6 27.3 76 256 A G H X S+ 0 0 0 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.2 0.838 110.2 49.5 -63.8 -39.2 -4.2 26.5 26.4 77 257 A T H >X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 3,-0.6 0.921 109.8 51.6 -63.5 -43.6 -2.0 29.6 26.6 78 258 A N H 3< S+ 0 0 42 -4,-2.3 4,-0.3 1,-0.3 -2,-0.2 0.841 103.6 57.5 -64.4 -32.1 -3.4 30.5 30.0 79 259 A D H 3< S+ 0 0 120 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.823 110.7 44.4 -68.8 -29.2 -2.7 26.9 31.3 80 260 A Y H << S- 0 0 52 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.2 0.952 143.8 -22.0 -72.5 -53.1 0.9 27.6 30.3 81 261 A Y < - 0 0 49 -4,-2.9 2,-1.3 -5,-0.1 -1,-0.3 -0.831 55.4-147.9-161.4 117.1 1.0 31.1 31.9 82 262 A N - 0 0 102 -4,-0.3 -4,-0.1 -2,-0.3 5,-0.1 -0.739 26.0-155.4 -90.5 93.3 -2.0 33.3 32.6 83 263 A D > - 0 0 5 -2,-1.3 3,-1.5 3,-0.3 259,-0.1 -0.564 12.7-151.2 -77.9 121.8 -0.4 36.6 32.1 84 264 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.769 94.8 61.9 -64.6 -18.5 -2.1 39.4 33.9 85 265 A N T 3 S- 0 0 105 1,-0.3 2,-0.2 -67,-0.1 -2,-0.0 0.695 122.2 -57.3 -76.5 -19.0 -0.9 41.9 31.3 86 266 A G < - 0 0 23 -3,-1.5 -3,-0.3 1,-0.1 -1,-0.3 -0.848 32.7-125.1 154.5 166.0 -2.8 40.2 28.4 87 267 A N S S- 0 0 20 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.815 75.9 -12.4-106.9 -52.1 -3.3 36.9 26.5 88 268 A H - 0 0 40 -70,-0.1 -1,-0.3 -37,-0.0 2,-0.3 -0.991 55.4-109.9-152.3 155.5 -2.7 37.6 22.8 89 269 A L E -k 50 0B 6 -40,-2.4 -38,-2.7 -2,-0.3 2,-0.2 -0.668 39.0-133.2 -78.6 144.9 -2.2 40.1 20.0 90 270 A T E > -k 51 0B 48 -2,-0.3 4,-2.4 -40,-0.2 5,-0.2 -0.472 23.1-105.4 -91.4 172.4 -5.1 40.3 17.5 91 271 A E H > S+ 0 0 46 -40,-0.7 4,-2.9 1,-0.2 5,-0.3 0.926 121.8 52.5 -65.2 -42.5 -4.9 40.3 13.7 92 272 A S H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 110.6 48.2 -58.1 -41.5 -5.6 44.0 13.6 93 273 A Q H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.912 113.1 47.0 -67.6 -39.2 -2.8 44.7 16.1 94 274 A M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.908 111.2 50.6 -68.3 -43.7 -0.3 42.6 14.2 95 275 A T H X S+ 0 0 41 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.929 113.5 45.8 -60.4 -44.9 -1.1 44.1 10.8 96 276 A D H X S+ 0 0 72 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.907 112.0 52.2 -63.9 -41.3 -0.7 47.6 12.3 97 277 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.911 109.8 48.2 -60.1 -44.9 2.5 46.5 14.0 98 278 A I H X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.919 113.7 47.4 -64.0 -41.1 4.0 45.2 10.8 99 279 A N H X S+ 0 0 76 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.896 110.3 52.3 -64.2 -42.6 3.0 48.4 9.0 100 280 A Y H X S+ 0 0 57 -4,-2.8 4,-0.6 2,-0.2 -2,-0.2 0.932 113.6 44.1 -58.8 -47.3 4.5 50.5 11.8 101 281 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-1.6 0.947 111.6 53.2 -63.0 -46.4 7.8 48.6 11.5 102 282 A K H ><5S+ 0 0 152 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.893 103.4 56.8 -57.9 -40.9 7.7 48.7 7.7 103 283 A D H 3<5S+ 0 0 140 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.677 110.0 46.2 -68.1 -15.1 7.3 52.5 7.8 104 284 A K T <<5S- 0 0 67 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.281 122.2-106.5-104.3 7.4 10.5 52.7 9.8 105 285 A G T < 5S+ 0 0 59 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.797 78.7 133.0 73.3 28.0 12.3 50.3 7.5 106 286 A I < - 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0 0 9 41,-2.4 2,-0.6 -332,-0.1 43,-0.2 -0.233 30.0-106.6 -69.9 171.2 23.8 55.3 11.5 368 548 A D + 0 0 28 41,-0.1 4,-0.1 1,-0.1 3,-0.1 -0.926 38.1 169.1-108.5 118.3 21.0 57.5 12.7 369 549 A Y > + 0 0 51 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 0.327 52.3 99.5-104.0 0.8 19.9 60.3 10.3 370 550 A E H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.894 84.4 45.8 -60.7 -42.1 16.7 61.3 12.1 371 551 A S H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.812 110.8 54.4 -71.5 -29.3 18.2 64.3 13.9 372 552 A A H > S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.916 108.8 48.6 -65.1 -43.8 19.9 65.4 10.7 373 553 A E H X S+ 0 0 122 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.925 112.9 47.9 -56.6 -48.8 16.5 65.3 9.0 374 554 A Q H X S+ 0 0 92 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.897 108.4 54.5 -61.8 -41.7 14.9 67.3 11.9 375 555 A A H < S+ 0 0 7 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.903 107.7 49.6 -61.9 -40.2 17.8 69.8 11.8 376 556 A L H >< S+ 0 0 29 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.908 108.3 54.1 -64.2 -39.3 17.1 70.5 8.1 377 557 A N H 3< S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.745 105.3 55.1 -64.7 -22.3 13.4 70.9 8.9 378 558 A E T 3< S+ 0 0 123 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.468 79.4 111.7 -93.2 -4.5 14.3 73.6 11.5 379 559 A V S < S- 0 0 18 -3,-1.2 2,-0.1 -4,-0.4 45,-0.0 -0.491 83.3-104.0 -65.5 132.5 16.3 75.8 9.1 380 560 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.444 28.6-144.9 -59.7 133.0 14.5 79.1 8.5 381 561 A K S S+ 0 0 179 1,-0.1 2,-0.6 -2,-0.1 -2,-0.0 0.869 82.2 52.3 -71.1 -37.5 13.0 78.8 5.0 382 562 A D + 0 0 114 1,-0.1 3,-0.2 -3,-0.0 -1,-0.1 -0.905 54.4 170.1-110.6 116.4 13.5 82.4 3.9 383 563 A L > + 0 0 20 -2,-0.6 3,-2.2 1,-0.1 -1,-0.1 0.389 44.9 108.6-105.4 3.1 17.0 83.9 4.3 384 564 A N T 3 S+ 0 0 135 1,-0.3 -1,-0.1 7,-0.0 49,-0.1 0.802 73.7 58.6 -52.7 -37.1 16.5 87.2 2.3 385 565 A R T 3 S+ 0 0 188 -3,-0.2 48,-2.5 47,-0.1 -1,-0.3 0.486 95.3 82.7 -76.2 -1.1 16.7 89.4 5.4 386 566 A Y B < S-P 432 0G 69 -3,-2.2 46,-0.2 46,-0.3 44,-0.1 -0.648 91.7 -86.9-104.4 158.2 20.1 88.1 6.4 387 567 A T > - 0 0 34 44,-3.0 4,-2.5 -2,-0.2 5,-0.2 -0.264 34.4-120.7 -62.1 146.2 23.6 89.2 5.2 388 568 A A H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 113.0 52.8 -52.8 -41.7 24.9 87.5 2.1 389 569 A E H > S+ 0 0 151 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 111.7 43.6 -64.1 -43.9 27.9 86.2 4.0 390 570 A S H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.853 113.6 52.8 -72.2 -33.0 25.8 84.6 6.8 391 571 A V H X S+ 0 0 31 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.944 105.2 53.3 -65.2 -47.8 23.4 83.1 4.3 392 572 A T H X S+ 0 0 80 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.900 106.6 54.3 -55.9 -41.3 26.1 81.5 2.2 393 573 A A H X S+ 0 0 43 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.903 109.4 46.5 -60.0 -43.9 27.4 79.8 5.4 394 574 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 32,-0.2 5,-0.2 0.940 112.0 50.8 -64.9 -46.2 23.9 78.3 6.1 395 575 A K H X S+ 0 0 99 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.890 111.2 48.3 -60.3 -39.7 23.6 77.1 2.5 396 576 A E H X S+ 0 0 107 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.891 111.8 49.4 -67.8 -38.9 27.0 75.4 2.6 397 577 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 26,-0.2 0.891 111.3 49.5 -68.0 -38.4 26.2 73.7 6.0 398 578 A E H X S+ 0 0 17 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.931 110.3 50.7 -61.3 -47.6 22.8 72.5 4.5 399 579 A K H X S+ 0 0 120 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.894 106.0 56.7 -56.0 -41.3 24.7 71.2 1.5 400 580 A A H < S+ 0 0 49 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.908 109.3 44.5 -59.2 -45.4 27.1 69.4 3.8 401 581 A I H >< S+ 0 0 10 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.941 113.3 49.7 -64.0 -47.3 24.3 67.5 5.5 402 582 A R H 3< S+ 0 0 157 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.745 109.0 55.7 -64.8 -19.4 22.6 66.7 2.2 403 583 A S T 3< S+ 0 0 95 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.511 78.7 120.4 -87.6 -10.6 25.9 65.4 0.9 404 584 A L S < S- 0 0 31 -3,-1.4 -3,-0.0 -4,-0.5 4,-0.0 -0.293 80.6 -97.4 -54.0 138.7 26.5 62.9 3.7 405 585 A D - 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0 0 22 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.0 -0.408 47.5-155.8 -58.1 131.7 22.6 84.5 10.7 431 611 A T - 0 0 80 -44,-0.2 -44,-3.0 -2,-0.1 -41,-0.2 -0.967 13.5-121.5-122.6 124.2 22.9 88.3 10.9 432 612 A L B P 386 0G 118 -2,-0.5 -46,-0.3 -46,-0.2 -47,-0.1 -0.384 360.0 360.0 -61.6 133.4 20.1 90.7 9.9 433 613 A T 0 0 138 -48,-2.5 -1,-0.1 -2,-0.1 -48,-0.0 -0.434 360.0 360.0 -60.9 360.0 21.1 93.1 7.2