==== 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 SUGAR BINDING PROTEIN 03-FEB-07 2EAV . COMPND 2 MOLECULE: PEPTIDOGLYCAN RECOGNITION PROTEIN-I-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CHO,R.A.MARIUZZA . 328 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.0 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 . 2 0.6 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 0 0 2 0 0 0 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 0 2 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 . 2 0 1 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 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 1 210 A a 0 0 99 0, 0.0 119,-0.1 0, 0.0 118,-0.1 0.000 360.0 360.0 360.0 125.6 11.9 -3.1 4.9 2 211 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 72,-0.1 0.001 360.0 -96.7 -66.2 167.2 10.3 0.3 5.6 3 212 A G - 0 0 65 2,-0.0 72,-0.6 73,-0.0 2,-0.4 -0.562 35.9-156.8 -81.4 151.3 9.1 3.0 3.3 4 213 A I E -a 75 0A 50 -2,-0.2 72,-0.2 70,-0.1 70,-0.0 -0.984 13.6-136.2-134.2 121.6 11.5 5.8 2.5 5 214 A V E -a 76 0A 30 70,-2.5 72,-2.3 -2,-0.4 5,-0.1 -0.674 34.8-134.4 -79.3 113.8 10.4 9.2 1.3 6 215 A P >> - 0 0 48 0, 0.0 3,-1.8 0, 0.0 4,-1.6 -0.124 18.4-106.1 -67.3 161.8 12.8 10.0 -1.5 7 216 A R H 3>>S+ 0 0 43 1,-0.3 5,-2.6 2,-0.2 4,-1.0 0.842 118.9 64.1 -54.5 -34.6 14.7 13.2 -2.3 8 217 A S H 345S+ 0 0 108 1,-0.2 -1,-0.3 3,-0.2 -3,-0.0 0.764 104.5 47.5 -64.4 -22.7 12.3 13.9 -5.1 9 218 A V H <45S+ 0 0 74 -3,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.902 112.7 41.9 -87.6 -43.9 9.5 14.2 -2.5 10 219 A W H <5S- 0 0 4 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.1 0.522 118.1-106.3 -82.2 -0.5 11.0 16.5 0.1 11 220 A G T <5 - 0 0 40 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.920 46.5-170.6 81.8 48.6 12.5 18.7 -2.6 12 221 A A < - 0 0 13 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.1 -0.401 26.1-114.1 -72.8 146.2 16.2 17.9 -2.6 13 222 A R - 0 0 94 35,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.615 38.1-108.1 -78.4 138.0 18.5 20.0 -4.6 14 223 A E + 0 0 177 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.478 53.3 152.4 -70.6 135.7 20.2 18.0 -7.4 15 224 A T - 0 0 48 -2,-0.2 47,-0.1 2,-0.0 2,-0.1 -0.573 39.7-135.5-139.4-157.4 23.9 17.2 -6.9 16 225 A H + 0 0 171 45,-0.3 3,-0.1 -2,-0.2 -2,-0.0 -0.437 35.5 161.7-175.8 87.3 26.6 14.7 -7.8 17 226 A b - 0 0 26 1,-0.2 -2,-0.0 62,-0.1 67,-0.0 -0.510 50.7 -51.7-108.9 176.1 28.8 13.6 -4.9 18 227 A P - 0 0 76 0, 0.0 66,-2.5 0, 0.0 -1,-0.2 -0.242 59.5-132.2 -51.1 124.8 31.2 10.7 -4.3 19 228 A R B -G 83 0B 156 64,-0.2 2,-0.4 -3,-0.1 64,-0.3 -0.430 15.4-146.5 -78.4 156.0 29.4 7.4 -4.9 20 229 A M - 0 0 3 62,-3.6 2,-0.5 -2,-0.1 74,-0.1 -0.991 2.4-144.0-129.1 129.3 29.6 4.5 -2.4 21 230 A T - 0 0 106 -2,-0.4 61,-0.1 72,-0.2 62,-0.0 -0.783 36.6-103.0 -95.1 129.5 29.7 0.8 -3.1 22 231 A L S S+ 0 0 43 -2,-0.5 2,-0.1 2,-0.1 107,-0.1 -0.342 82.8 71.3 -85.1 170.6 27.9 -1.5 -0.7 23 232 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 107,-0.3 0.569 67.6-148.3 -75.6 157.3 27.7 -3.5 1.5 24 233 A A E -b 130 0A 0 105,-3.2 107,-2.1 -2,-0.1 71,-0.2 -0.762 9.2-152.7 -93.5 139.6 28.7 -1.0 4.3 25 234 A K E S+ 0 0 72 69,-1.0 110,-1.8 -2,-0.4 2,-0.3 0.518 77.1 54.6 -87.2 -5.1 30.7 -2.4 7.2 26 235 A Y E -bc 135 95A 36 68,-1.3 70,-2.3 108,-0.2 2,-0.5 -0.962 53.7-166.8-135.0 149.7 29.3 0.2 9.5 27 236 A G E -bc 136 96A 2 108,-1.9 110,-2.3 -2,-0.3 2,-0.5 -0.978 20.9-169.6-130.5 112.1 26.0 1.6 10.7 28 237 A I E -bc 137 97A 2 68,-2.0 70,-2.9 -2,-0.5 2,-0.4 -0.933 11.0-147.1-112.7 124.1 26.4 5.0 12.5 29 238 A I E +bc 138 98A 0 108,-2.5 110,-2.1 -2,-0.5 2,-0.3 -0.728 24.4 174.7 -91.7 133.5 23.6 6.6 14.4 30 239 A I E - c 0 99A 1 68,-2.4 70,-3.2 -2,-0.4 2,-0.4 -0.865 23.0-149.3-132.5 163.3 23.5 10.4 14.5 31 240 A H E - c 0 100A 11 -2,-0.3 70,-0.2 68,-0.3 72,-0.1 -0.975 20.8-134.2-131.4 144.7 21.3 13.2 15.7 32 241 A T - 0 0 30 68,-1.7 71,-0.2 -2,-0.4 3,-0.1 0.720 27.7-139.4 -70.7 -20.5 21.1 16.6 14.0 33 242 A A S S+ 0 0 59 69,-1.9 70,-0.2 1,-0.3 2,-0.1 0.552 75.3 92.8 70.1 7.7 21.4 18.4 17.4 34 243 A G S S- 0 0 35 68,-0.6 -1,-0.3 1,-0.3 -2,-0.1 -0.186 87.1 -43.0-109.5-155.0 18.8 20.7 16.0 35 244 A R - 0 0 131 67,-0.2 -1,-0.3 -3,-0.1 2,-0.2 -0.233 52.2-133.9 -72.8 161.1 15.0 20.8 16.0 36 245 A T - 0 0 55 -3,-0.1 2,-0.3 67,-0.1 66,-0.2 -0.531 10.5-151.0-107.3 176.9 12.7 17.8 15.6 37 246 A c - 0 0 1 64,-0.4 34,-1.8 -2,-0.2 64,-0.1 -0.983 10.8-170.9-146.7 147.3 9.6 17.3 13.4 38 247 A N + 0 0 99 -2,-0.3 2,-0.3 32,-0.1 3,-0.1 0.051 65.1 53.9-134.0 31.3 6.6 15.1 13.9 39 248 A I S > S- 0 0 97 1,-0.2 4,-3.5 35,-0.0 5,-0.3 -0.958 83.1-107.4-160.2 146.5 4.6 15.3 10.7 40 249 A S H > S+ 0 0 58 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.880 114.4 42.0 -36.6 -75.0 5.3 14.8 7.0 41 250 A D H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.881 118.6 47.1 -43.0 -52.5 5.2 18.4 5.7 42 251 A E H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.959 113.7 47.2 -57.3 -55.0 7.2 19.6 8.7 43 252 A c H X S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.2 5,-0.2 0.884 108.4 55.3 -57.3 -41.3 9.8 16.8 8.4 44 253 A R H X S+ 0 0 63 -4,-3.1 4,-1.8 -5,-0.3 -1,-0.2 0.894 109.1 47.5 -60.4 -40.0 10.2 17.3 4.7 45 254 A L H X S+ 0 0 72 -4,-1.9 4,-2.5 -3,-0.3 -1,-0.2 0.862 109.0 55.3 -68.5 -35.1 11.0 21.0 5.2 46 255 A L H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.874 107.8 47.2 -67.1 -37.7 13.4 20.1 8.0 47 256 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.902 111.9 51.9 -69.4 -37.5 15.4 17.7 5.7 48 257 A R H X S+ 0 0 95 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.904 110.1 48.5 -62.8 -42.7 15.4 20.5 3.1 49 258 A D H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.940 110.5 50.9 -62.8 -46.8 16.8 22.9 5.7 50 259 A I H X S+ 0 0 18 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.894 110.9 49.0 -58.4 -42.7 19.5 20.4 6.8 51 260 A Q H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.960 109.4 50.0 -62.5 -53.3 20.6 19.9 3.1 52 261 A S H X S+ 0 0 31 -4,-2.3 4,-3.6 1,-0.3 5,-0.4 0.882 109.2 54.7 -52.8 -38.8 20.8 23.6 2.3 53 262 A F H X>S+ 0 0 101 -4,-2.2 5,-1.8 1,-0.2 4,-1.1 0.920 107.7 48.5 -61.0 -45.7 22.9 23.9 5.5 54 263 A Y H <5S+ 0 0 26 -4,-2.0 6,-5.1 3,-0.2 -2,-0.2 0.881 120.2 37.3 -63.8 -37.3 25.3 21.3 4.3 55 264 A I H <5S+ 0 0 31 -4,-2.4 -2,-0.2 4,-0.3 -3,-0.2 0.942 126.8 32.3 -78.7 -51.0 25.6 22.9 0.9 56 265 A D H <5S+ 0 0 69 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.1 0.946 127.9 26.1 -75.3 -57.4 25.5 26.6 1.9 57 266 A R T <5S+ 0 0 178 -4,-1.1 -3,-0.2 -5,-0.4 -4,-0.1 0.971 136.1 27.1 -75.2 -57.1 27.1 27.1 5.3 58 267 A L S - 0 0 0 4,-2.1 3,-1.8 -2,-0.5 4,-0.3 -0.445 29.8-115.4 -81.3 158.9 11.7 12.1 11.6 71 280 A Q T 3 S+ 0 0 32 -34,-1.8 42,-0.1 1,-0.3 41,-0.1 0.159 110.1 78.6 -82.2 22.1 9.7 11.8 14.8 72 281 A D T 3 S- 0 0 44 2,-0.2 -1,-0.3 40,-0.1 -34,-0.1 0.484 118.0-107.5 -97.8 -11.1 6.7 11.2 12.6 73 282 A G S < S+ 0 0 29 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.613 78.9 129.8 92.7 15.7 8.0 7.6 12.2 74 283 A A - 0 0 26 -4,-0.3 -4,-2.1 -72,-0.1 2,-0.6 -0.806 53.9-137.7-107.3 145.4 9.2 8.2 8.7 75 284 A I E -aD 4 69A 2 -72,-0.6 -70,-2.5 -2,-0.3 2,-0.5 -0.890 20.2-160.3-100.7 122.5 12.5 7.4 7.1 76 285 A Y E -aD 5 68A 3 -8,-3.3 -8,-2.8 -2,-0.6 2,-0.3 -0.893 21.4-117.7-107.3 131.3 13.7 10.2 4.8 77 286 A E E - D 0 67A 45 -72,-2.3 -10,-0.3 -2,-0.5 -11,-0.1 -0.505 32.2-179.2 -67.5 122.4 16.4 9.5 2.1 78 287 A G S S- 0 0 0 -12,-2.5 -12,-0.3 -2,-0.3 -11,-0.2 0.595 78.1 -31.3 -87.6-113.2 19.5 11.6 2.8 79 288 A V S S- 0 0 9 -14,-2.4 4,-0.2 1,-0.2 -13,-0.2 0.714 103.2-144.0 -78.0 -16.6 22.1 11.0 0.2 80 289 A G - 0 0 1 -14,-1.8 -1,-0.2 -15,-0.3 3,-0.2 -0.368 29.8 -42.0 92.5-170.8 20.7 7.5 0.1 81 290 A W S S+ 0 0 48 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.916 130.4 38.2 -63.7 -51.0 22.0 4.0 -0.4 82 291 A N S S+ 0 0 76 -3,-0.2 -62,-3.6 -16,-0.1 2,-0.4 0.493 101.7 79.0 -86.3 -6.7 24.5 4.5 -3.2 83 292 A V B S-G 19 0B 41 -64,-0.3 -64,-0.2 -4,-0.2 -4,-0.1 -0.864 80.3-110.4-111.5 143.0 26.0 7.9 -2.2 84 293 A Q - 0 0 53 -66,-2.5 9,-0.1 -2,-0.4 2,-0.1 -0.313 24.0-142.0 -66.5 140.1 28.6 8.7 0.4 85 294 A G - 0 0 4 7,-0.7 -20,-0.2 10,-0.3 -21,-0.2 -0.305 3.7-148.7 -88.4-178.4 27.8 10.5 3.5 86 295 A S + 0 0 48 -22,-1.5 -22,-0.1 -2,-0.1 -21,-0.1 -0.279 66.6 92.1-151.2 57.3 30.1 13.1 5.0 87 296 A S S S+ 0 0 20 -23,-0.2 -22,-0.1 1,-0.2 -23,-0.1 0.588 77.3 56.6-124.0 -20.8 29.7 13.1 8.8 88 297 A T S >> S- 0 0 1 -24,-0.1 3,-2.8 7,-0.1 4,-2.0 -0.767 78.2-140.0-122.5 89.2 32.3 10.6 10.0 89 298 A P T 34 S+ 0 0 110 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.153 90.6 13.7 -45.6 123.0 35.9 11.4 8.9 90 299 A G T 34 S+ 0 0 68 1,-0.0 3,-0.0 0, 0.0 -2,-0.0 0.028 128.3 55.3 97.2 -25.6 37.5 8.1 8.0 91 300 A Y T X4 + 0 0 63 -3,-2.8 3,-3.4 1,-0.1 4,-0.3 0.709 69.8 100.2-109.7 -30.4 34.3 6.0 7.9 92 301 A D G >< S+ 0 0 28 -4,-2.0 3,-0.9 1,-0.3 -7,-0.7 0.706 84.7 48.5 -28.6 -49.2 32.0 7.8 5.5 93 302 A D G 3 S+ 0 0 77 1,-0.2 -1,-0.3 -9,-0.1 -72,-0.2 0.423 118.6 38.9 -82.8 4.9 32.6 5.5 2.5 94 303 A I G < S+ 0 0 47 -3,-3.4 -68,-1.3 -70,-0.1 -69,-1.0 0.093 109.9 64.7-136.8 21.4 32.2 2.3 4.5 95 304 A A E < -c 26 0A 2 -3,-0.9 2,-0.6 -4,-0.3 -10,-0.3 -0.979 70.0-130.1-145.2 155.2 29.3 3.2 6.7 96 305 A L E -c 27 0A 4 -70,-2.3 -68,-2.0 -2,-0.3 2,-0.7 -0.938 25.4-144.7-107.9 112.7 25.6 4.1 6.5 97 306 A G E -c 28 0A 4 -2,-0.6 -30,-2.3 -70,-0.2 -31,-0.8 -0.704 19.5-177.8 -83.1 115.1 24.9 7.3 8.4 98 307 A I E -ce 29 67A 6 -70,-2.9 -68,-2.4 -2,-0.7 2,-0.4 -0.945 7.7-177.7-117.1 112.6 21.5 7.1 10.0 99 308 A T E -ce 30 68A 0 -32,-2.6 -30,-2.1 -2,-0.6 2,-0.3 -0.910 22.2-140.0-120.3 139.7 20.5 10.2 11.9 100 309 A F E -ce 31 69A 1 -70,-3.2 -68,-1.7 -2,-0.4 2,-0.6 -0.665 27.6-121.8 -88.0 144.0 17.5 11.2 13.9 101 310 A M S S+ 0 0 0 -32,-1.9 -64,-0.4 -2,-0.3 2,-0.3 -0.806 76.6 38.8 -90.9 120.1 16.2 14.7 13.5 102 311 A G S S- 0 0 0 -2,-0.6 -69,-1.9 -66,-0.2 -68,-0.6 -0.846 93.7 -70.6 136.7-171.9 16.2 16.5 16.8 103 312 A T + 0 0 73 -2,-0.3 3,-0.3 -70,-0.2 4,-0.2 -0.939 42.2 172.6-126.5 108.0 18.3 16.8 20.0 104 313 A F + 0 0 5 -2,-0.5 48,-1.7 44,-0.3 49,-0.3 -0.305 38.9 115.2-114.3 48.9 18.2 13.6 22.1 105 314 A T S S+ 0 0 66 44,-0.2 46,-1.9 46,-0.2 -1,-0.2 0.909 95.7 20.0 -80.2 -44.9 20.8 14.3 24.8 106 315 A G S S+ 0 0 62 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.576 134.2 31.2-101.2 -11.8 18.3 14.3 27.6 107 316 A I S S- 0 0 126 -4,-0.2 -1,-0.2 3,-0.0 45,-0.2 -0.982 75.8-128.0-149.1 134.8 15.4 12.5 26.0 108 317 A P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.376 39.3 -87.7 -80.7 159.1 15.3 9.7 23.3 109 318 A P - 0 0 3 0, 0.0 5,-0.1 0, 0.0 -7,-0.0 -0.225 56.9 -89.6 -60.4 155.2 13.2 9.8 20.1 110 319 A N > - 0 0 64 1,-0.1 4,-1.9 -3,-0.1 3,-0.2 -0.102 43.2 -99.3 -59.9 167.3 9.7 8.5 20.4 111 320 A A H > S+ 0 0 32 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.895 119.7 62.0 -57.6 -43.3 9.1 4.8 19.8 112 321 A A H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 107.1 44.1 -49.6 -50.7 7.8 5.4 16.3 113 322 A A H > S+ 0 0 0 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 113.0 50.0 -60.3 -53.4 11.2 6.8 15.2 114 323 A L H X S+ 0 0 7 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.905 110.1 51.8 -52.6 -45.3 13.2 4.2 17.0 115 324 A E H X S+ 0 0 16 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.937 109.5 49.3 -59.4 -47.1 11.2 1.4 15.4 116 325 A A H X S+ 0 0 11 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.849 109.0 51.8 -62.4 -38.1 11.7 2.8 11.9 117 326 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.955 114.3 42.3 -64.6 -49.3 15.4 3.2 12.2 118 327 A Q H X S+ 0 0 9 -4,-2.1 4,-3.7 2,-0.3 5,-0.3 0.885 111.4 54.5 -64.6 -39.5 15.9 -0.4 13.4 119 328 A D H X S+ 0 0 28 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.915 111.9 46.7 -60.4 -38.1 13.4 -1.7 10.8 120 329 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.3 0.904 113.5 48.0 -68.5 -42.1 15.7 0.2 8.3 121 330 A I H X S+ 0 0 10 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.983 112.7 46.6 -62.3 -58.0 18.8 -1.4 9.9 122 331 A Q H X S+ 0 0 19 -4,-3.7 4,-2.7 1,-0.2 5,-0.2 0.913 112.6 52.5 -50.7 -46.6 17.5 -4.9 9.9 123 332 A a H X S+ 0 0 11 -4,-2.2 4,-3.0 -5,-0.3 6,-0.2 0.960 106.7 51.3 -52.1 -60.5 16.3 -4.4 6.3 124 333 A A H <>S+ 0 0 3 -4,-2.4 5,-2.1 1,-0.2 6,-1.5 0.847 112.8 45.6 -46.5 -44.9 19.7 -3.3 5.1 125 334 A M H ><5S+ 0 0 17 -4,-2.1 3,-2.4 4,-0.2 -1,-0.2 0.970 112.1 50.6 -67.1 -51.9 21.5 -6.3 6.7 126 335 A V H 3<5S+ 0 0 65 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.884 113.4 46.3 -51.9 -42.9 18.9 -8.8 5.4 127 336 A K T 3<5S- 0 0 122 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.313 117.7-112.3 -85.7 9.2 19.3 -7.3 1.9 128 337 A G T < 5S+ 0 0 39 -3,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.509 86.2 118.0 77.1 3.3 23.1 -7.3 2.0 129 338 A Y S - 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