==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-11 2YLL . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.PLUVINAGE,M.A.HIGGINS,D.W.ABBOTT,C.ROBB,A.B.DALIA,L.DENG, . 436 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 11.0 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 . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 33.3 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 1 179 A A 0 0 157 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.3 31.8 5.4 60.7 2 180 A M - 0 0 151 1,-0.0 2,-0.2 5,-0.0 3,-0.1 -0.874 360.0-171.3-115.6 143.8 30.6 7.8 57.9 3 181 A N > + 0 0 81 -2,-0.3 4,-1.6 1,-0.1 -1,-0.0 -0.615 27.2 158.7-121.5 65.0 29.0 7.1 54.5 4 182 A E T 4 + 0 0 132 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.822 68.8 48.0 -65.4 -35.3 29.2 10.8 53.3 5 183 A K T >4 S+ 0 0 86 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.941 114.1 44.8 -71.7 -49.4 28.9 10.1 49.6 6 184 A L T 34 S+ 0 0 38 1,-0.2 -2,-0.2 359,-0.1 -1,-0.2 0.760 103.9 66.0 -65.6 -25.8 26.0 7.7 49.8 7 185 A A T 3< S+ 0 0 80 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.646 83.4 99.3 -70.9 -15.3 24.2 10.1 52.2 8 186 A K S < S- 0 0 51 -3,-1.3 2,-0.3 -4,-0.4 325,-0.3 -0.311 83.4-107.7 -68.3 153.3 23.9 12.7 49.4 9 187 A K E -a 333 0A 43 323,-2.7 325,-2.1 30,-0.1 2,-0.5 -0.632 27.9-163.8 -75.1 137.9 20.7 13.1 47.4 10 188 A K E -a 334 0A 3 -2,-0.3 29,-3.0 323,-0.2 30,-1.7 -0.980 19.7-177.4-123.2 119.0 20.9 11.8 43.8 11 189 A I E -ab 335 40A 1 323,-2.5 325,-2.2 -2,-0.5 2,-0.5 -0.908 26.1-154.9-128.6 138.0 18.0 13.2 41.9 12 190 A V E -ab 336 41A 1 28,-1.8 30,-3.0 -2,-0.4 2,-0.4 -0.963 20.4-150.6-107.5 130.2 16.6 12.9 38.4 13 191 A S E -ab 337 42A 0 323,-3.0 325,-2.7 -2,-0.5 2,-0.4 -0.876 10.2-169.0-104.2 134.1 14.6 15.9 37.2 14 192 A I E -ab 338 43A 1 28,-2.8 30,-2.4 -2,-0.4 2,-1.7 -0.986 20.6-137.5-125.1 125.1 11.7 15.6 34.7 15 193 A D E > + b 0 44A 2 323,-1.5 4,-0.9 -2,-0.4 30,-0.1 -0.568 40.5 153.1 -82.4 79.5 10.0 18.6 33.0 16 194 A A T 4 + 0 0 4 -2,-1.7 5,-0.2 28,-1.1 -1,-0.2 0.054 61.9 74.0 -95.5 25.3 6.4 17.6 33.2 17 195 A G T 4 S+ 0 0 0 29,-0.1 -1,-0.2 33,-0.1 30,-0.1 0.820 104.3 31.9 -93.3 -52.2 5.3 21.3 33.2 18 196 A R T 4 S+ 0 0 19 1,-0.1 2,-0.4 30,-0.1 -2,-0.2 0.865 130.2 33.2 -72.4 -33.4 6.0 22.0 29.5 19 197 A K S < S- 0 0 6 -4,-0.9 2,-0.3 30,-0.1 -1,-0.1 -0.947 84.0-111.4-132.9 138.7 5.1 18.4 28.4 20 198 A Y - 0 0 30 -2,-0.4 2,-0.4 68,-0.3 -3,-0.1 -0.520 28.5-175.6 -68.3 131.3 2.6 15.7 29.6 21 199 A F - 0 0 6 -2,-0.3 -5,-0.0 -5,-0.2 -7,-0.0 -0.997 21.1-132.2-122.2 134.6 4.0 12.6 31.2 22 200 A S > - 0 0 26 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.396 23.3-110.4 -78.7 160.7 1.6 9.8 32.1 23 201 A P H > S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.896 121.0 53.8 -53.8 -40.8 1.5 8.0 35.5 24 202 A E H > S+ 0 0 162 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.928 109.3 47.1 -59.9 -45.7 2.8 4.8 33.7 25 203 A Q H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 112.9 49.0 -62.7 -42.3 5.8 6.8 32.2 26 204 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.865 108.1 53.5 -68.9 -35.5 6.6 8.3 35.6 27 205 A K H X S+ 0 0 49 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.885 107.6 51.8 -64.7 -37.1 6.5 5.0 37.4 28 206 A E H X S+ 0 0 73 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.878 109.4 49.4 -65.6 -37.8 9.0 3.6 34.8 29 207 A I H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.920 110.7 50.6 -66.1 -41.4 11.3 6.6 35.5 30 208 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.915 108.2 53.0 -60.6 -44.2 10.9 5.9 39.3 31 209 A D H X S+ 0 0 55 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.927 112.2 43.8 -56.4 -49.2 11.8 2.2 38.6 32 210 A K H X S+ 0 0 63 -4,-2.1 4,-2.7 2,-0.2 6,-0.2 0.888 110.7 55.4 -66.1 -40.0 15.0 3.2 36.8 33 211 A A H X>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 4,-0.7 0.950 111.7 43.9 -55.0 -50.1 15.8 5.8 39.4 34 212 A K H ><5S+ 0 0 73 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.944 113.3 51.6 -59.9 -48.0 15.6 3.1 42.1 35 213 A H H 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.866 110.9 47.2 -57.5 -42.8 17.6 0.6 40.0 36 214 A Y H 3<5S- 0 0 12 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.495 121.3-103.5 -82.8 -5.7 20.4 3.1 39.3 37 215 A G T <<5 + 0 0 1 -3,-1.2 331,-1.7 -4,-0.7 -3,-0.2 0.664 67.3 149.4 94.2 18.3 20.7 4.1 43.0 38 216 A Y < - 0 0 8 -5,-2.6 -1,-0.2 -6,-0.2 -27,-0.2 -0.292 37.0-153.5 -72.7 166.3 19.0 7.5 43.0 39 217 A T + 0 0 38 -29,-3.0 70,-2.6 1,-0.2 2,-0.3 0.613 66.5 25.5-110.8 -23.6 17.1 8.9 46.0 40 218 A D E -bc 11 109A 4 -30,-1.7 -28,-1.8 68,-0.3 2,-0.5 -0.990 53.3-139.7-148.6 149.2 14.5 11.3 44.5 41 219 A L E -bc 12 110A 0 68,-3.1 70,-3.1 -2,-0.3 2,-0.8 -0.969 18.5-156.1-105.1 123.3 12.4 12.3 41.5 42 220 A H E -bc 13 111A 0 -30,-3.0 -28,-2.8 -2,-0.5 2,-0.7 -0.886 17.2-170.9-100.0 105.7 12.2 16.0 40.9 43 221 A L E -bc 14 112A 0 68,-2.2 70,-1.5 -2,-0.8 2,-0.4 -0.877 13.0-154.6-109.3 106.1 9.0 16.5 39.0 44 222 A L E +bc 15 113A 0 -30,-2.4 -28,-1.1 -2,-0.7 3,-0.2 -0.683 25.0 161.8 -74.1 127.9 8.3 19.9 37.5 45 223 A V E S+ 0 0 1 68,-2.5 6,-2.9 -2,-0.4 2,-0.6 0.584 71.0 48.0-116.9 -26.1 4.5 20.2 37.2 46 224 A G E S+Dc 50 114A 3 67,-2.5 69,-2.5 4,-0.2 -1,-0.3 -0.956 70.8 126.4-112.4 104.3 4.3 24.0 36.9 47 225 A N S S- 0 0 2 2,-3.0 2,-2.2 -2,-0.6 73,-0.2 -0.622 96.0 -44.7-162.1 94.6 6.9 25.0 34.3 48 226 A D S S+ 0 0 4 71,-2.6 74,-2.7 -2,-0.2 75,-0.3 -0.560 141.2 49.1 66.4 -73.6 5.5 27.2 31.5 49 227 A G S S- 0 0 1 -2,-2.2 -2,-3.0 72,-0.2 2,-0.5 -0.473 84.2-138.0 -79.2 160.3 2.6 24.7 31.3 50 228 A L B +D 46 0A 1 25,-0.3 -4,-0.2 -4,-0.2 29,-0.2 -0.975 27.4 169.4-122.2 116.1 0.7 23.7 34.5 51 229 A R + 0 0 2 -6,-2.9 40,-2.2 -2,-0.5 2,-0.3 -0.237 45.6 80.7-129.7 42.8 -0.0 20.0 34.5 52 230 A F E -k 91 0B 1 38,-0.2 2,-0.5 -7,-0.1 40,-0.2 -0.895 53.2-166.9-151.2 117.4 -1.3 19.0 38.0 53 231 A M E -k 92 0B 9 38,-2.8 40,-0.7 -2,-0.3 2,-0.1 -0.929 9.9-147.6-113.5 121.9 -4.8 19.5 39.1 54 232 A L - 0 0 7 -2,-0.5 3,-0.2 38,-0.2 112,-0.0 -0.408 27.7-116.6 -73.0 157.1 -6.0 19.2 42.7 55 233 A D S S+ 0 0 92 1,-0.3 2,-0.6 -2,-0.1 -1,-0.1 0.896 111.5 39.8 -62.4 -40.6 -9.5 18.0 43.4 56 234 A D + 0 0 80 1,-0.1 -1,-0.3 109,-0.1 -2,-0.1 -0.938 64.2 164.9-111.0 110.0 -10.3 21.3 45.0 57 235 A M + 0 0 0 -2,-0.6 -1,-0.1 -3,-0.2 9,-0.1 0.145 25.3 139.5-106.9 17.0 -8.7 24.2 43.0 58 236 A S - 0 0 32 13,-0.1 2,-0.5 7,-0.1 9,-0.2 -0.384 36.8-158.1 -62.4 137.1 -10.8 27.0 44.6 59 237 A I E -L 66 0C 2 7,-2.0 7,-3.1 2,-0.1 2,-0.7 -0.980 9.9-155.4-126.6 123.6 -8.5 30.0 45.3 60 238 A T E +L 65 0C 98 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.883 43.0 116.1-100.7 115.3 -9.2 32.8 47.8 61 239 A A E > +L 64 0C 12 3,-1.9 3,-1.9 -2,-0.7 -2,-0.1 -0.952 53.7 38.5-162.0 164.4 -7.5 36.1 46.9 62 240 A N T 3 S- 0 0 47 -2,-0.3 3,-0.1 1,-0.3 92,-0.1 0.819 128.6 -59.4 57.9 35.6 -8.4 39.7 46.0 63 241 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 0.570 123.3 66.5 72.7 11.7 -11.3 39.8 48.4 64 242 A K E < S-L 61 0C 117 -3,-1.9 -3,-1.9 -5,-0.0 2,-0.4 -0.872 78.1-111.0-146.7 176.4 -13.1 36.8 46.7 65 243 A T E -L 60 0C 80 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.979 19.8-144.3-116.6 132.6 -12.9 33.1 45.9 66 244 A Y E -L 59 0C 25 -7,-3.1 -7,-2.0 -2,-0.4 5,-0.0 -0.889 37.3-110.4 -90.5 122.5 -12.4 31.9 42.4 67 245 A A > - 0 0 47 -2,-0.6 4,-2.9 -9,-0.2 3,-0.2 -0.194 17.0-122.8 -62.3 145.4 -14.5 28.7 42.0 68 246 A S H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 111.1 47.7 -55.1 -48.2 -12.7 25.4 41.8 69 247 A D H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.841 112.9 49.7 -68.0 -29.8 -14.3 24.4 38.5 70 248 A D H > S+ 0 0 98 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.921 110.9 48.8 -70.7 -44.3 -13.5 27.8 37.0 71 249 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.926 113.1 49.1 -59.8 -43.6 -9.8 27.7 38.1 72 250 A K H X S+ 0 0 54 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.922 112.8 45.4 -60.0 -48.7 -9.6 24.1 36.6 73 251 A R H X S+ 0 0 195 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.902 113.7 50.6 -65.0 -39.0 -11.1 25.2 33.3 74 252 A A H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.902 113.9 44.5 -64.8 -41.9 -8.8 28.3 33.3 75 253 A I H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.933 112.6 50.1 -69.6 -46.4 -5.7 26.3 34.0 76 254 A E H X S+ 0 0 80 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.935 117.1 42.4 -55.5 -46.6 -6.5 23.5 31.5 77 255 A K H X S+ 0 0 109 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.901 113.8 51.3 -66.1 -43.5 -7.2 26.2 28.8 78 256 A G H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.871 111.0 47.8 -64.8 -39.1 -4.1 28.2 29.8 79 257 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.918 111.1 51.7 -65.2 -43.6 -1.9 25.2 29.6 80 258 A N H < S+ 0 0 43 -4,-2.2 4,-0.3 -5,-0.3 -2,-0.2 0.885 104.8 56.2 -61.9 -37.2 -3.4 24.3 26.2 81 259 A D H < S+ 0 0 121 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 111.0 44.7 -60.8 -37.6 -2.7 27.8 25.0 82 260 A Y H < S- 0 0 43 -4,-1.3 2,-0.2 1,-0.3 -2,-0.2 0.963 143.4 -22.8 -68.4 -53.1 1.0 27.2 25.9 83 261 A Y < - 0 0 49 -4,-2.9 2,-1.3 -5,-0.1 -1,-0.3 -0.813 55.4-146.8-161.5 116.7 1.1 23.7 24.3 84 262 A N - 0 0 104 -4,-0.3 -4,-0.1 -2,-0.2 5,-0.1 -0.723 26.1-155.5 -88.2 95.0 -1.9 21.4 23.7 85 263 A D > - 0 0 5 -2,-1.3 3,-1.3 3,-0.3 259,-0.1 -0.588 12.2-151.1 -79.6 120.1 -0.2 18.1 24.2 86 264 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.747 94.7 61.4 -62.1 -21.3 -2.0 15.2 22.4 87 265 A N T 3 S- 0 0 104 1,-0.3 2,-0.2 -67,-0.1 -2,-0.0 0.716 122.5 -54.4 -75.3 -22.4 -0.8 12.8 25.1 88 266 A G < - 0 0 23 -3,-1.3 -3,-0.3 1,-0.1 -1,-0.3 -0.877 32.8-127.0 160.0 167.6 -2.6 14.5 27.9 89 267 A N S S- 0 0 16 1,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.792 76.8 -14.5-106.9 -49.6 -3.2 17.8 29.8 90 268 A H - 0 0 41 -70,-0.1 -1,-0.4 -38,-0.0 2,-0.3 -0.991 55.9-108.8-155.0 157.1 -2.6 17.1 33.5 91 269 A L E -k 52 0B 7 -40,-2.2 -38,-2.8 -2,-0.3 2,-0.1 -0.680 39.5-132.4 -80.0 144.0 -2.1 14.6 36.3 92 270 A T E > -k 53 0B 49 -2,-0.3 4,-2.4 -40,-0.2 -38,-0.2 -0.450 23.3-104.9 -91.8 170.9 -5.0 14.4 38.8 93 271 A E H > S+ 0 0 47 -40,-0.7 4,-2.7 1,-0.2 5,-0.2 0.913 121.5 51.7 -62.5 -42.8 -4.8 14.4 42.6 94 272 A S H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 110.6 48.4 -60.1 -41.7 -5.5 10.7 42.7 95 273 A Q H > S+ 0 0 67 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 112.9 48.1 -67.5 -40.8 -2.7 10.0 40.2 96 274 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.918 111.2 49.4 -65.4 -44.0 -0.2 12.2 42.1 97 275 A T H X S+ 0 0 43 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.927 113.7 46.9 -61.3 -44.8 -1.0 10.6 45.5 98 276 A D H X S+ 0 0 75 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.911 111.9 51.1 -61.9 -42.5 -0.6 7.1 44.0 99 277 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.910 110.3 47.7 -63.1 -46.2 2.6 8.2 42.3 100 278 A I H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.905 113.7 48.3 -63.0 -41.8 4.1 9.5 45.5 101 279 A N H X S+ 0 0 77 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.881 109.6 52.7 -62.5 -41.9 3.1 6.4 47.4 102 280 A Y H X S+ 0 0 70 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.926 113.5 43.4 -59.8 -46.9 4.6 4.2 44.6 103 281 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 3,-0.9 0.908 111.3 54.5 -64.3 -43.9 7.9 6.1 44.9 104 282 A K H ><5S+ 0 0 149 -4,-2.8 3,-2.1 1,-0.3 -2,-0.2 0.919 102.4 56.9 -58.5 -44.1 7.8 6.0 48.7 105 283 A D H 3<5S+ 0 0 140 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.765 109.9 47.0 -60.5 -23.3 7.4 2.2 48.7 106 284 A K T <<5S- 0 0 61 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.402 121.6-105.8 -96.2 1.7 10.6 2.1 46.7 107 285 A G T < 5S+ 0 0 55 -3,-2.1 2,-0.5 -4,-0.4 -3,-0.2 0.756 79.3 131.7 77.6 25.2 12.6 4.5 48.9 108 286 A I < - 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0 0 45 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.446 28.4-146.4 -60.6 132.3 14.5 -24.1 47.7 383 561 A K S S+ 0 0 180 1,-0.1 2,-0.5 -2,-0.1 -2,-0.1 0.842 81.4 50.4 -70.2 -38.1 13.0 -23.8 51.1 384 562 A D + 0 0 112 1,-0.1 3,-0.2 2,-0.0 -1,-0.1 -0.922 53.8 169.1-112.0 119.1 13.4 -27.5 52.2 385 563 A L > + 0 0 20 -2,-0.5 3,-2.1 1,-0.1 -1,-0.1 0.347 43.7 110.0-111.6 6.8 16.9 -29.0 51.8 386 564 A N T 3 S+ 0 0 124 1,-0.3 -1,-0.1 7,-0.0 49,-0.1 0.782 73.2 58.9 -56.4 -33.8 16.4 -32.3 53.8 387 565 A R T 3 S+ 0 0 176 -3,-0.2 48,-2.2 47,-0.1 -1,-0.3 0.464 95.3 83.0 -78.0 0.8 16.5 -34.6 50.7 388 566 A Y B < S-P 434 0G 70 -3,-2.1 46,-0.3 46,-0.3 44,-0.1 -0.674 91.5 -87.2-104.6 160.7 20.0 -33.3 49.7 389 567 A T > - 0 0 36 44,-3.0 4,-2.5 -2,-0.2 5,-0.2 -0.281 34.5-119.8 -64.0 147.4 23.4 -34.4 50.9 390 568 A A H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 113.0 52.6 -54.3 -42.1 24.8 -32.7 54.0 391 569 A E H > S+ 0 0 167 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.933 111.7 42.8 -62.9 -46.5 27.8 -31.5 52.1 392 570 A S H > S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.860 113.7 54.0 -69.9 -31.6 25.7 -29.8 49.3 393 571 A V H X S+ 0 0 32 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.933 105.3 52.6 -63.0 -49.0 23.3 -28.4 51.9 394 572 A T H X S+ 0 0 79 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.907 106.4 54.3 -55.5 -43.7 26.1 -26.8 53.8 395 573 A A H X S+ 0 0 43 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.894 110.0 46.0 -59.2 -44.2 27.3 -25.1 50.7 396 574 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 32,-0.2 -1,-0.2 0.937 112.3 50.3 -63.3 -47.8 23.9 -23.5 50.0 397 575 A K H X S+ 0 0 101 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.897 111.7 49.0 -60.2 -39.8 23.4 -22.4 53.6 398 576 A E H X S+ 0 0 112 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.912 111.7 48.3 -64.1 -43.6 26.9 -20.7 53.5 399 577 A A H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 26,-0.2 0.881 111.9 49.7 -65.2 -38.7 26.1 -19.0 50.2 400 578 A E H X S+ 0 0 19 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.933 110.7 50.0 -61.9 -47.8 22.8 -17.8 51.6 401 579 A K H X S+ 0 0 130 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.885 107.1 56.3 -57.1 -41.5 24.5 -16.5 54.7 402 580 A A H < S+ 0 0 53 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.911 108.7 44.2 -60.7 -45.9 27.0 -14.7 52.6 403 581 A I H >< S+ 0 0 11 -4,-1.8 3,-1.5 1,-0.2 -1,-0.2 0.945 114.3 49.9 -64.2 -46.8 24.4 -12.7 50.6 404 582 A R H 3< S+ 0 0 152 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.725 108.0 56.3 -64.4 -19.3 22.6 -11.9 53.8 405 583 A S T 3< S+ 0 0 94 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.471 79.2 118.3 -91.4 -5.3 25.9 -10.7 55.4 406 584 A L S < S- 0 0 36 -3,-1.5 -3,-0.0 -4,-0.4 4,-0.0 -0.354 82.4 -95.7 -58.3 140.7 26.6 -8.2 52.6 407 585 A D > - 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