==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-NOV-11 4A9R . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MATIJSSEN,M.C.SILVA-SANTISTEBAN,I.M.WESTWOOD,S.SIDDIQUE,V. . 285 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 2 1 1 0 0 1 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 S 0 0 153 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.1 -8.1 66.4 -5.4 2 211 A V - 0 0 124 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.617 360.0 -86.0-112.8 178.0 -10.6 67.1 -2.6 3 212 A Y - 0 0 71 -2,-0.2 -1,-0.1 1,-0.1 5,-0.0 -0.584 51.8 -93.0 -84.9 149.3 -13.5 65.1 -1.1 4 213 A P >> - 0 0 25 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.316 30.5-123.8 -60.0 140.5 -17.0 65.3 -2.6 5 214 A K H 3> S+ 0 0 172 1,-0.3 4,-1.8 2,-0.2 -2,-0.1 0.903 110.6 57.4 -51.8 -47.2 -19.2 68.0 -1.0 6 215 A A H 34 S+ 0 0 56 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.822 109.3 46.3 -56.4 -34.3 -21.9 65.4 -0.2 7 216 A L H X> S+ 0 0 0 -3,-0.9 4,-2.6 1,-0.2 3,-1.8 0.949 110.6 50.0 -71.8 -51.8 -19.3 63.4 1.8 8 217 A R H 3< S+ 0 0 137 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.731 101.3 67.8 -58.8 -22.5 -17.9 66.4 3.7 9 218 A D T 3< S+ 0 0 119 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.734 117.1 19.7 -73.1 -22.8 -21.5 67.3 4.6 10 219 A E T <4 S+ 0 0 75 -3,-1.8 16,-3.1 -4,-0.4 17,-0.4 0.606 124.6 49.9-115.7 -23.5 -21.9 64.2 6.8 11 220 A Y E < -A 25 0A 6 -4,-2.6 2,-0.6 14,-0.2 14,-0.2 -0.900 59.3-146.0-127.5 148.2 -18.3 63.3 7.6 12 221 A I E -A 24 0A 81 12,-2.4 12,-2.1 -2,-0.3 2,-0.1 -0.953 31.8-139.5-107.9 110.0 -15.1 64.8 8.8 13 222 A M E +A 23 0A 32 -2,-0.6 10,-0.2 10,-0.2 2,-0.1 -0.368 30.5 163.1 -73.6 148.2 -12.3 63.0 7.0 14 223 A S E - 0 0 54 8,-2.6 -1,-0.1 1,-0.4 9,-0.1 -0.287 36.6 -8.4-135.8-141.7 -9.1 62.1 8.9 15 224 A K E - 0 0 50 6,-0.1 7,-2.9 -2,-0.1 -1,-0.4 0.049 61.2-112.8 -59.9 166.9 -6.0 59.9 8.8 16 225 A T E A 21 0A 79 5,-0.3 5,-0.3 1,-0.1 -1,-0.1 -0.723 360.0 360.0 -96.3 156.0 -5.3 57.1 6.3 17 226 A L 0 0 118 3,-3.1 4,-0.2 -2,-0.3 -1,-0.1 0.361 360.0 360.0-133.4 360.0 -5.1 53.5 7.5 18 ! 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 19 233 A E 0 0 125 0, 0.0 17,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.3 -7.4 52.7 0.3 20 234 A V E - B 0 35A 46 15,-0.3 -3,-3.1 17,-0.0 2,-0.3 -0.988 360.0-175.9-132.1 128.1 -9.1 53.2 3.7 21 235 A K E -AB 16 34A 30 13,-2.6 13,-2.4 -2,-0.4 2,-0.3 -0.815 27.4-112.9-118.1 159.4 -9.3 56.4 5.8 22 236 A L E + B 0 33A 29 -7,-2.9 -8,-2.6 -2,-0.3 2,-0.3 -0.717 39.5 175.2 -88.7 140.1 -10.6 57.3 9.2 23 237 A A E -AB 13 32A 0 9,-2.8 9,-3.2 -2,-0.3 2,-0.5 -0.956 25.6-134.5-142.0 160.3 -13.6 59.6 9.4 24 238 A F E -AB 12 31A 65 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.5 -0.974 20.0-131.8-118.9 125.7 -16.0 61.0 12.0 25 239 A E E >> -AB 11 30A 26 5,-2.5 4,-2.6 -2,-0.5 5,-0.6 -0.627 15.8-148.0 -73.5 123.3 -19.8 61.1 11.4 26 240 A R T 45S+ 0 0 127 -16,-3.1 -1,-0.2 -2,-0.5 -15,-0.1 0.901 91.4 56.1 -60.4 -44.8 -20.9 64.7 12.2 27 241 A K T 45S+ 0 0 178 -17,-0.4 -1,-0.2 1,-0.2 -16,-0.1 0.838 126.5 17.9 -59.0 -34.9 -24.3 63.8 13.5 28 242 A T T 45S- 0 0 62 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.571 89.9-130.7-114.6 -14.1 -23.0 61.3 16.1 29 243 A C T <5 + 0 0 106 -4,-2.6 2,-0.2 1,-0.2 -3,-0.2 0.785 61.9 143.7 56.8 28.8 -19.3 62.2 16.5 30 244 A K E < -B 25 0A 135 -5,-0.6 -5,-2.5 1,-0.0 2,-0.3 -0.640 54.0-109.2 -93.3 156.0 -18.7 58.5 16.1 31 245 A K E +B 24 0A 109 -2,-0.2 47,-0.6 -7,-0.2 2,-0.3 -0.620 38.6 177.5 -84.7 142.8 -15.7 57.1 14.2 32 246 A V E -BC 23 77A 0 -9,-3.2 -9,-2.8 -2,-0.3 2,-0.6 -0.960 28.1-124.5-140.3 159.5 -16.2 55.4 10.9 33 247 A A E -BC 22 76A 12 43,-2.9 43,-3.0 -2,-0.3 2,-0.7 -0.925 22.2-163.5-108.7 115.9 -14.0 53.8 8.2 34 248 A I E -BC 21 75A 0 -13,-2.4 -13,-2.6 -2,-0.6 2,-0.5 -0.870 5.0-155.5-102.6 113.7 -14.3 55.2 4.7 35 249 A K E -BC 20 74A 26 39,-3.0 39,-2.7 -2,-0.7 2,-0.5 -0.761 8.4-153.4 -88.5 124.8 -13.0 53.0 1.9 36 250 A I E - C 0 73A 24 -17,-2.6 2,-0.4 -2,-0.5 37,-0.2 -0.853 13.4-178.7-100.9 129.6 -12.0 55.0 -1.2 37 251 A I E - C 0 72A 40 35,-2.9 35,-3.7 -2,-0.5 -2,-0.0 -0.981 20.4-134.4-130.0 121.0 -12.0 53.2 -4.6 38 252 A S E C 0 71A 84 -2,-0.4 33,-0.2 33,-0.2 32,-0.0 -0.165 360.0 360.0 -71.8 165.2 -11.0 55.1 -7.7 39 253 A K 0 0 106 31,-0.5 -1,-0.1 2,-0.1 32,-0.1 0.723 360.0 360.0-114.1 360.0 -12.9 55.0 -11.1 40 ! 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 41 266 A P >> 0 0 96 0, 0.0 3,-1.5 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 -44.0 -14.4 49.2 -11.8 42 267 A A H 3> + 0 0 46 1,-0.3 4,-4.4 2,-0.2 3,-0.4 0.646 360.0 61.5 -16.4 -51.5 -18.1 50.0 -11.3 43 268 A L H 3> S+ 0 0 64 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.946 105.2 43.2 -48.8 -62.5 -18.9 46.3 -11.6 44 269 A N H <> S+ 0 0 81 -3,-1.5 4,-1.5 1,-0.2 -1,-0.3 0.759 119.5 46.3 -57.3 -26.5 -16.9 45.1 -8.6 45 270 A V H X S+ 0 0 6 -4,-1.0 4,-2.5 -3,-0.4 5,-0.2 0.908 110.5 49.6 -84.0 -46.9 -18.2 48.1 -6.6 46 271 A E H X S+ 0 0 62 -4,-4.4 4,-2.8 -5,-0.2 5,-0.2 0.958 114.2 48.2 -51.5 -52.6 -21.8 47.7 -7.6 47 272 A T H X S+ 0 0 47 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.932 110.1 50.0 -53.5 -53.1 -21.5 44.0 -6.6 48 273 A E H X S+ 0 0 4 -4,-1.5 4,-3.1 -5,-0.2 -1,-0.2 0.910 113.3 46.3 -57.5 -45.1 -19.8 44.8 -3.2 49 274 A I H X S+ 0 0 26 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.955 109.9 52.5 -60.5 -53.1 -22.5 47.3 -2.3 50 275 A E H X S+ 0 0 60 -4,-2.8 4,-1.3 -5,-0.2 -1,-0.2 0.889 115.3 43.7 -51.1 -40.7 -25.4 45.1 -3.3 51 276 A I H >X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.2 3,-0.7 0.977 110.0 52.3 -70.9 -55.9 -23.9 42.4 -1.1 52 277 A L H 3< S+ 0 0 5 -4,-3.1 11,-0.4 1,-0.3 -2,-0.2 0.816 110.7 50.8 -49.4 -34.8 -23.0 44.5 1.9 53 278 A K H 3< S+ 0 0 83 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.868 112.4 44.2 -73.7 -36.7 -26.6 45.8 2.0 54 279 A K H << S+ 0 0 81 -4,-1.3 -2,-0.2 -3,-0.7 2,-0.2 0.867 103.3 72.1 -79.0 -38.1 -28.3 42.4 1.8 55 280 A L < + 0 0 13 -4,-2.4 2,-0.3 -5,-0.1 58,-0.0 -0.510 51.6 175.7 -82.1 145.3 -26.1 40.6 4.4 56 281 A N + 0 0 115 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.854 19.5 136.7-149.8 116.4 -26.2 41.2 8.1 57 282 A H > - 0 0 33 3,-0.5 3,-2.1 -2,-0.3 -2,-0.0 -0.976 57.8-115.5-160.5 141.3 -24.1 39.0 10.5 58 283 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.824 116.2 45.4 -52.0 -40.7 -21.9 39.7 13.5 59 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.5 81,-0.1 2,-0.4 -0.001 100.2 84.0 -97.7 28.5 -18.7 38.6 11.8 60 285 A I B < S-e 141 0B 3 -3,-2.1 -3,-0.5 80,-0.3 82,-0.2 -0.975 84.5-114.6-132.3 121.7 -19.5 40.5 8.6 61 286 A I - 0 0 4 80,-2.5 2,-0.4 -2,-0.4 -2,-0.1 -0.144 31.8-138.6 -51.3 139.6 -18.6 44.2 8.1 62 287 A K - 0 0 60 -4,-0.1 15,-1.5 -6,-0.1 2,-0.4 -0.839 5.6-130.2-108.8 143.1 -21.6 46.4 7.7 63 288 A I E +D 76 0A 35 -11,-0.4 13,-0.3 -2,-0.4 3,-0.1 -0.746 22.5 177.4 -93.2 135.3 -22.0 49.3 5.3 64 289 A K E - 0 0 105 11,-3.8 2,-0.3 -2,-0.4 12,-0.2 0.765 64.3 -8.4-106.7 -37.2 -23.2 52.6 6.8 65 290 A N E -D 75 0A 41 10,-1.4 10,-3.5 2,-0.0 -1,-0.4 -0.979 55.2-152.4-157.0 166.9 -23.1 54.9 3.7 66 291 A F E -D 74 0A 68 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.994 2.1-163.9-150.1 138.2 -22.0 55.2 0.1 67 292 A F E -D 73 0A 22 6,-3.1 6,-2.9 -2,-0.3 2,-0.9 -0.978 7.4-160.2-130.1 123.7 -21.0 58.0 -2.3 68 293 A D E +D 72 0A 100 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.783 45.9 124.2-101.3 89.9 -20.7 57.8 -6.1 69 294 A A S S- 0 0 29 2,-2.5 -66,-0.0 -2,-0.9 -2,-0.0 -0.212 83.6 -44.2-121.9-150.5 -18.4 60.6 -7.0 70 295 A E S S+ 0 0 114 -2,-0.1 -31,-0.5 -31,-0.1 2,-0.3 0.816 138.0 16.6 -54.0 -28.5 -15.2 61.2 -8.9 71 296 A D E S-C 38 0A 38 -33,-0.2 -2,-2.5 -32,-0.1 2,-0.5 -0.830 97.8 -96.1-130.8 173.7 -14.3 58.2 -6.9 72 297 A Y E -CD 37 68A 25 -35,-3.7 -35,-2.9 -2,-0.3 2,-0.5 -0.824 34.2-165.0 -94.4 131.0 -16.3 55.6 -5.0 73 298 A Y E -CD 36 67A 10 -6,-2.9 -6,-3.1 -2,-0.5 2,-0.6 -0.967 3.8-171.6-118.9 122.1 -16.7 56.1 -1.3 74 299 A I E -CD 35 66A 0 -39,-2.7 -39,-3.0 -2,-0.5 2,-0.6 -0.944 10.9-151.7-117.1 116.2 -17.9 53.3 1.0 75 300 A V E +CD 34 65A 0 -10,-3.5 -11,-3.8 -2,-0.6 -10,-1.4 -0.756 24.8 169.5 -89.8 121.2 -18.7 54.1 4.6 76 301 A L E -CD 33 63A 10 -43,-3.0 -43,-2.9 -2,-0.6 -13,-0.2 -0.863 41.2 -88.9-127.7 159.6 -18.2 51.2 7.0 77 302 A E E -C 32 0A 49 -15,-1.5 2,-0.3 -2,-0.3 -45,-0.2 -0.422 50.5-112.4 -64.8 141.5 -18.2 50.6 10.7 78 303 A L - 0 0 42 -47,-0.6 2,-0.8 -2,-0.1 -1,-0.1 -0.631 20.1-148.7 -84.0 133.8 -14.7 51.1 12.2 79 304 A M > - 0 0 20 -2,-0.3 3,-2.0 1,-0.2 51,-0.2 -0.848 3.0-161.9-106.2 100.3 -12.9 48.1 13.6 80 305 A E T 3 S+ 0 0 124 51,-0.8 52,-0.3 -2,-0.8 51,-0.2 0.794 86.7 61.4 -48.1 -36.9 -10.6 49.1 16.5 81 306 A G T 3 S- 0 0 12 49,-1.6 -1,-0.3 1,-0.2 50,-0.2 0.727 92.8-154.4 -68.1 -23.4 -8.6 45.9 16.2 82 307 A G E < -F 130 0B 30 -3,-2.0 48,-3.4 48,-0.8 2,-0.3 -0.397 43.1 -17.1 79.2-160.4 -7.4 46.5 12.7 83 308 A E E > -F 129 0B 70 46,-0.2 3,-0.9 1,-0.1 4,-0.2 -0.588 49.2-135.4 -86.1 140.7 -6.4 43.8 10.2 84 309 A L T >> S+ 0 0 0 44,-3.2 3,-1.8 41,-0.8 4,-0.5 0.763 101.8 74.1 -60.2 -26.0 -5.5 40.3 11.3 85 310 A F H >> S+ 0 0 68 40,-1.1 3,-1.7 43,-0.3 4,-1.6 0.898 87.5 57.7 -55.1 -44.3 -2.6 40.6 9.0 86 311 A D H <4 S+ 0 0 89 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.586 102.2 58.6 -65.9 -8.3 -0.8 42.9 11.4 87 312 A K H <4 S+ 0 0 81 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.612 116.2 29.2 -92.6 -15.2 -1.1 40.1 14.0 88 313 A V H X< S+ 0 0 9 -3,-1.7 3,-0.6 -4,-0.5 4,-0.3 0.450 86.0 118.3-126.2 -5.5 0.8 37.5 12.0 89 314 A V G >< S+ 0 0 61 -4,-1.6 3,-0.9 1,-0.2 110,-0.0 -0.320 76.2 25.8 -65.1 148.0 3.3 39.4 9.8 90 315 A G G 3 S- 0 0 63 1,-0.2 -1,-0.2 2,-0.0 109,-0.1 0.897 135.4 -63.3 64.0 40.4 6.9 38.6 10.4 91 316 A N G < S+ 0 0 118 -3,-0.6 -1,-0.2 107,-0.4 -2,-0.2 0.642 81.4 167.6 62.6 16.3 6.3 35.1 11.7 92 317 A K < - 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0 0 41 -2,-0.2 4,-1.1 1,-0.1 -1,-0.1 -0.043 20.5-122.3 -67.4 170.9 -2.1 20.6 19.0 232 457 A E H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.1 5,-0.1 0.845 110.2 55.7 -83.5 -36.9 -3.0 17.6 16.9 233 458 A K H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.911 107.7 49.5 -59.4 -44.5 -6.6 18.5 16.5 234 459 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 111.9 47.3 -62.7 -45.1 -5.7 21.9 15.1 235 460 A L H X S+ 0 0 31 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.837 108.7 57.0 -64.1 -33.8 -3.2 20.4 12.6 236 461 A D H X S+ 0 0 56 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.909 104.2 50.3 -67.1 -42.8 -5.8 17.8 11.6 237 462 A L H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 3,-0.3 0.910 109.3 51.5 -62.7 -43.1 -8.4 20.4 10.6 238 463 A V H >X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 3,-1.1 0.912 106.5 55.3 -58.2 -43.3 -5.9 22.3 8.4 239 464 A K H 3< S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.845 108.1 49.1 -57.5 -34.9 -5.1 19.0 6.7 240 465 A K H 3< S+ 0 0 83 -4,-1.4 10,-2.0 -3,-0.3 -1,-0.2 0.545 112.9 46.3 -86.6 -7.7 -8.8 18.6 5.9 241 466 A L H << S+ 0 0 0 -3,-1.1 2,-0.9 -4,-0.7 -2,-0.2 0.726 103.5 61.8 -98.7 -31.5 -9.1 22.1 4.4 242 467 A L S < S+ 0 0 10 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.2 -0.292 74.8 138.4 -90.6 49.7 -5.9 22.0 2.4 243 468 A V - 0 0 42 -2,-0.9 6,-0.2 -3,-0.2 -25,-0.1 -0.862 50.0-147.2 -96.5 126.4 -7.3 19.1 0.3 244 469 A V S S+ 0 0 73 -2,-0.5 -1,-0.1 -27,-0.1 -26,-0.1 0.894 81.3 78.4 -60.7 -45.3 -6.6 19.4 -3.4 245 470 A D S >> S- 0 0 84 1,-0.2 4,-2.1 -3,-0.1 3,-1.2 -0.580 71.3-154.5 -72.6 107.8 -9.9 17.7 -4.5 246 471 A P T 34 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.796 93.4 51.5 -51.9 -37.7 -12.6 20.4 -4.1 247 472 A K T 34 S+ 0 0 107 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.747 114.8 42.8 -78.0 -22.0 -15.4 17.8 -3.7 248 473 A A T <4 S+ 0 0 57 -3,-1.2 -1,-0.2 2,-0.1 3,-0.1 0.702 92.5 105.5 -91.4 -25.6 -13.4 16.1 -0.9 249 474 A R S < S- 0 0 23 -4,-2.1 -8,-0.2 -6,-0.2 2,-0.1 -0.120 82.7 -93.6 -54.3 152.4 -12.3 19.3 0.8 250 475 A F - 0 0 33 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.384 34.1-141.3 -68.4 144.5 -14.0 20.2 4.0 251 476 A T > - 0 0 47 -3,-0.1 4,-1.9 -2,-0.1 5,-0.1 -0.539 31.6-102.4 -92.4 170.4 -17.0 22.5 4.0 252 477 A T H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.915 125.2 52.2 -57.9 -42.4 -17.6 25.1 6.6 253 478 A E H > S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.924 108.0 49.4 -60.7 -46.2 -20.2 22.8 8.2 254 479 A E H 4 S+ 0 0 60 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.847 113.4 48.7 -61.6 -33.4 -17.7 19.9 8.3 255 480 A A H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 6,-0.3 0.940 106.6 53.5 -71.3 -47.7 -15.2 22.2 9.9 256 481 A L H 3< S+ 0 0 22 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.696 111.7 48.9 -60.3 -18.6 -17.6 23.6 12.5 257 482 A R T 3< S+ 0 0 174 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.557 85.8 114.1 -95.7 -13.2 -18.2 20.0 13.4 258 483 A H S X> S- 0 0 8 -3,-1.5 3,-2.5 -4,-0.5 4,-0.5 -0.350 78.5-117.0 -63.9 139.0 -14.5 19.1 13.7 259 484 A P G >4 S+ 0 0 66 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.821 111.5 64.3 -44.1 -44.9 -13.3 18.1 17.2 260 485 A W G 34 S+ 0 0 3 1,-0.3 -26,-0.1 -27,-0.3 -4,-0.1 0.784 104.3 48.3 -55.7 -26.8 -10.9 21.1 17.4 261 486 A L G <4 S+ 0 0 0 -3,-2.5 2,-1.9 -6,-0.3 -1,-0.3 0.525 83.9 95.3 -91.4 -7.4 -13.9 23.4 17.2 262 487 A Q << + 0 0 100 -3,-2.2 2,-0.4 -4,-0.5 -1,-0.1 -0.584 53.2 129.7 -83.3 79.6 -15.8 21.5 19.9 263 488 A D > - 0 0 43 -2,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.873 39.2-171.3-141.6 98.5 -14.7 23.8 22.7 264 489 A E H > S+ 0 0 121 -2,-0.4 4,-3.3 1,-0.2 5,-0.3 0.841 86.6 58.3 -65.2 -36.9 -17.3 25.3 25.0 265 490 A D H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.948 111.1 43.6 -54.7 -49.8 -14.9 27.7 26.7 266 491 A M H > S+ 0 0 10 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.943 115.5 47.1 -61.7 -49.7 -14.1 29.3 23.3 267 492 A K H X S+ 0 0 44 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.902 111.8 50.9 -62.5 -42.5 -17.8 29.3 22.2 268 493 A R H X S+ 0 0 130 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.965 107.3 52.8 -55.3 -54.8 -18.9 30.8 25.5 269 494 A K H X S+ 0 0 45 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.808 109.9 51.5 -52.6 -31.0 -16.3 33.5 25.2 270 495 A F H X S+ 0 0 8 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.939 106.9 49.9 -71.2 -49.5 -17.7 34.2 21.8 271 496 A Q H X S+ 0 0 108 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.814 111.8 51.5 -58.6 -30.6 -21.3 34.5 23.0 272 497 A D H X S+ 0 0 85 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.890 104.3 54.1 -74.2 -41.2 -20.1 36.9 25.6 273 498 A L H X S+ 0 0 23 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.788 108.7 54.3 -62.7 -27.5 -18.2 39.1 23.2 274 499 A L H >X S+ 0 0 23 -4,-1.5 4,-2.4 2,-0.2 3,-1.0 0.997 106.2 44.4 -67.9 -70.8 -21.5 39.4 21.3 275 500 A S H 3X S+ 0 0 66 -4,-1.6 4,-1.6 1,-0.3 -2,-0.2 0.837 110.5 60.7 -45.2 -37.9 -23.9 40.6 23.9 276 501 A E H 3X S+ 0 0 121 -4,-1.8 4,-0.5 1,-0.2 3,-0.4 0.939 110.4 37.9 -54.0 -51.4 -21.1 43.0 24.9 277 502 A E H << S+ 0 0 60 -4,-1.4 4,-0.4 -3,-1.0 -2,-0.2 0.795 117.1 52.9 -72.7 -27.6 -21.2 44.7 21.5 278 503 A N H X S+ 0 0 93 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.625 86.5 84.7 -84.4 -13.6 -25.0 44.4 21.3 279 504 A E H >< S+ 0 0 134 -4,-1.6 3,-1.4 -3,-0.4 -1,-0.2 0.952 90.1 48.4 -49.5 -57.9 -25.5 46.1 24.7 280 505 A S T 3< S+ 0 0 104 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.828 116.1 44.7 -54.5 -34.3 -25.4 49.6 23.2 281 506 A T T 34 S+ 0 0 77 -4,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.590 84.8 123.6 -86.5 -11.1 -27.8 48.5 20.4 282 507 A A << - 0 0 74 -3,-1.4 -3,-0.0 -4,-1.2 3,-0.0 -0.342 41.3-169.5 -62.4 110.7 -30.1 46.7 22.8 283 508 A L - 0 0 85 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.0 -0.867 39.1 -89.7 -99.6 136.4 -33.7 48.0 22.6 284 509 A P - 0 0 136 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.066 45.2-142.1 -53.1 138.4 -36.0 46.8 25.4 285 510 A Q - 0 0 80 1,-0.1 2,-0.2 -3,-0.0 -3,-0.0 -0.666 14.2-106.9-106.8 156.1 -37.9 43.6 24.7 286 511 A V 0 0 144 -2,-0.2 -1,-0.1 1,-0.0 0, 0.0 -0.525 360.0 360.0 -76.3 146.4 -41.5 42.5 25.4 287 512 A L 0 0 206 -2,-0.2 -1,-0.0 0, 0.0 0, 0.0 -0.873 360.0 360.0-130.1 360.0 -41.8 39.8 28.1