==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUL-10 2XM8 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.CALDWELL,E.J.WELSH,C.MATIJSSEN,V.E.ANDERSON,L.ANTONI,K.B . 265 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 12.1 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 . 1 0.4 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 . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 3 1 1 0 1 0 0 0 0 0 1 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 4 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 . 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 1 211 A V 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.9 11.6 -65.6 -3.7 2 212 A Y - 0 0 118 62,-0.0 62,-0.0 10,-0.0 0, 0.0 -0.957 360.0-113.7-119.5 132.0 14.8 -64.6 -2.0 3 213 A P > - 0 0 38 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.250 25.5-125.4 -55.2 145.0 18.4 -64.5 -3.5 4 214 A K H > S+ 0 0 89 1,-0.2 4,-0.8 2,-0.2 -2,-0.0 0.882 108.1 56.8 -63.4 -41.2 20.8 -67.1 -1.9 5 215 A A H > S+ 0 0 67 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.833 109.8 47.4 -59.9 -33.2 23.4 -64.5 -1.0 6 216 A L H >> S+ 0 0 27 -3,-0.4 3,-2.0 1,-0.2 4,-1.3 0.989 107.3 48.7 -73.7 -63.9 20.8 -62.5 1.0 7 217 A R H 3< S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.598 101.5 72.3 -56.8 -9.7 19.0 -65.2 3.2 8 218 A D H 3< S+ 0 0 114 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.876 109.7 25.0 -72.3 -38.2 22.5 -66.3 4.1 9 219 A E H << S+ 0 0 92 -3,-2.0 17,-1.7 -4,-0.5 2,-0.3 0.538 127.1 29.0-107.5 -10.2 23.3 -63.4 6.3 10 220 A Y E < -A 25 0A 47 -4,-1.3 2,-0.6 15,-0.2 15,-0.2 -0.934 65.9-123.4-146.9 168.2 19.8 -62.3 7.4 11 221 A I E -A 24 0A 74 13,-1.3 13,-0.9 -2,-0.3 -4,-0.1 -0.745 30.1-158.3-116.8 81.4 16.2 -63.3 8.1 12 222 A M E +A 23 0A 41 -2,-0.6 11,-0.3 11,-0.2 21,-0.0 -0.359 30.1 144.7 -60.5 133.7 14.0 -61.2 5.8 13 223 A S E + 0 0 52 9,-3.3 -1,-0.1 1,-0.3 10,-0.1 0.071 36.1 14.3-136.3-116.8 10.5 -61.1 7.2 14 224 A K E - 0 0 60 7,-0.1 8,-0.8 1,-0.1 2,-0.4 0.396 68.0-100.3 -63.9-163.8 7.5 -58.7 7.4 15 225 A T E A 21 0A 82 6,-0.2 6,-0.3 1,-0.1 -1,-0.1 -0.977 360.0 360.0-127.1 139.5 6.8 -55.4 5.7 16 226 A L 0 0 104 4,-4.0 5,-0.2 -2,-0.4 -1,-0.1 0.679 360.0 360.0-117.6 360.0 7.3 -51.9 7.0 17 ! 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 18 232 A G 0 0 101 0, 0.0 2,-0.3 0, 0.0 18,-0.0 0.000 360.0 360.0 360.0-175.9 8.6 -48.0 -2.1 19 233 A E - 0 0 73 16,-0.1 2,-0.3 17,-0.1 17,-0.2 -0.665 360.0-143.4 -92.3 145.5 7.9 -50.1 1.0 20 234 A V - 0 0 44 -2,-0.3 -4,-4.0 15,-0.1 2,-0.3 -0.782 8.5-137.6-111.8 149.7 10.7 -51.6 3.1 21 235 A K E -AB 15 34A 14 13,-1.8 13,-2.8 -2,-0.3 2,-0.3 -0.710 12.9-122.2-109.4 157.5 10.9 -55.0 4.8 22 236 A L E + B 0 33A 33 -8,-0.8 -9,-3.3 -2,-0.3 2,-0.3 -0.729 31.1 171.2 -98.9 144.6 12.2 -56.1 8.3 23 237 A A E -AB 12 32A 1 9,-2.6 9,-2.6 -2,-0.3 2,-0.5 -0.989 27.5-123.5-149.7 157.0 15.0 -58.7 8.9 24 238 A F E -AB 11 31A 88 -13,-0.9 -13,-1.3 -2,-0.3 2,-0.4 -0.887 31.4-112.7-107.9 130.7 17.1 -60.1 11.8 25 239 A E E >> -A 10 0A 15 5,-3.1 4,-2.7 -2,-0.5 3,-0.8 -0.436 25.1-145.1 -59.6 112.6 20.9 -60.1 11.8 26 240 A R T 34 S+ 0 0 132 -17,-1.7 -1,-0.2 -2,-0.4 -16,-0.1 0.309 94.4 42.1 -70.4 12.7 21.6 -63.8 11.5 27 241 A K T 34 S+ 0 0 97 -18,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.584 125.4 25.9-126.7 -25.9 24.7 -63.3 13.7 28 242 A T T <4 S- 0 0 99 -3,-0.8 -2,-0.2 2,-0.2 3,-0.1 0.526 88.5-129.5-119.6 -13.5 23.6 -60.9 16.5 29 243 A C < + 0 0 118 -4,-2.7 2,-0.3 1,-0.3 -3,-0.1 0.613 64.6 137.3 67.0 12.2 19.8 -61.5 16.7 30 244 A K - 0 0 49 -5,-0.3 -5,-3.1 1,-0.0 -1,-0.3 -0.676 53.7-119.6 -87.6 144.8 19.5 -57.7 16.5 31 245 A K E +B 24 0A 45 -2,-0.3 41,-0.5 -7,-0.2 2,-0.3 -0.558 35.2 167.3 -89.3 149.4 16.8 -56.4 14.2 32 246 A V E -BC 23 71A 24 -9,-2.6 -9,-2.6 -2,-0.2 2,-0.4 -0.974 30.1-117.9-151.3 162.9 17.3 -54.1 11.2 33 247 A A E -BC 22 70A 16 37,-1.8 37,-3.2 -2,-0.3 2,-0.5 -0.890 20.2-156.5-109.8 137.0 15.4 -52.8 8.2 34 248 A I E -BC 21 69A 21 -13,-2.8 -13,-1.8 -2,-0.4 35,-0.3 -0.947 18.6-124.0-117.3 125.8 16.3 -53.5 4.5 35 249 A K E C 0 68A 23 33,-3.9 33,-1.1 -2,-0.5 -15,-0.1 -0.340 360.0 360.0 -67.9 140.3 15.2 -51.2 1.6 36 250 A I 0 0 84 -17,-0.2 31,-0.1 31,-0.2 -17,-0.1 -0.931 360.0 360.0-138.7 360.0 13.3 -52.7 -1.3 37 ! 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 38 269 A N > 0 0 119 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 9.9 18.3 -43.7 -11.3 39 270 A V H > + 0 0 62 2,-0.2 4,-0.9 1,-0.1 5,-0.1 0.692 360.0 56.4 -92.9 -24.9 18.2 -46.6 -8.9 40 271 A E H > S+ 0 0 140 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.785 93.5 73.3 -72.3 -28.9 22.0 -46.4 -8.3 41 272 A T H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.938 97.0 44.0 -51.7 -58.0 21.6 -42.8 -7.2 42 273 A E H X S+ 0 0 65 -4,-0.5 4,-4.0 1,-0.2 5,-0.3 0.914 115.4 49.2 -56.2 -45.8 20.0 -43.5 -3.9 43 274 A I H X S+ 0 0 56 -4,-0.9 4,-0.9 1,-0.2 -1,-0.2 0.916 113.4 46.9 -58.8 -44.7 22.5 -46.3 -3.2 44 275 A E H X S+ 0 0 64 -4,-3.2 4,-0.6 2,-0.2 -2,-0.2 0.849 119.5 40.1 -66.8 -35.5 25.4 -44.0 -4.1 45 276 A I H >X S+ 0 0 20 -4,-2.8 4,-2.0 -5,-0.2 3,-1.2 0.927 109.3 56.0 -80.4 -48.5 23.9 -41.2 -2.0 46 277 A L H 3< S+ 0 0 16 -4,-4.0 11,-0.6 1,-0.3 -1,-0.2 0.735 107.5 54.9 -55.7 -21.2 22.8 -43.3 1.0 47 278 A K H 3< S+ 0 0 72 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.788 107.7 46.9 -80.5 -31.1 26.4 -44.4 1.0 48 279 A K H << S+ 0 0 70 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.705 89.4 106.6 -80.6 -21.8 27.6 -40.8 1.2 49 280 A L < + 0 0 16 -4,-2.0 8,-0.3 1,-0.1 58,-0.0 -0.430 35.0 156.5 -63.5 119.4 25.1 -40.1 4.0 50 281 A N + 0 0 135 -2,-0.3 -1,-0.1 6,-0.1 6,-0.1 -0.449 28.6 109.9-145.4 67.6 26.9 -39.8 7.3 51 282 A H > - 0 0 38 3,-0.3 3,-1.6 4,-0.2 52,-0.0 -0.997 67.2-122.3-145.2 144.2 24.8 -37.8 9.7 52 283 A P T 3 S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.918 112.3 49.2 -49.2 -55.8 22.9 -38.5 12.9 53 284 A C T 3 S+ 0 0 2 81,-0.1 82,-0.7 46,-0.1 2,-0.4 0.050 105.4 77.6 -79.0 29.3 19.5 -37.2 11.6 54 285 A I B < S-e 135 0B 1 -3,-1.6 -3,-0.3 80,-0.3 82,-0.1 -0.999 92.8 -96.4-141.9 136.6 19.9 -39.3 8.5 55 286 A I - 0 0 9 80,-1.6 2,-0.5 -2,-0.4 -4,-0.2 -0.190 40.0-149.8 -47.6 132.3 19.5 -43.0 7.7 56 287 A K - 0 0 36 15,-0.2 15,-1.1 -6,-0.1 2,-0.2 -0.943 8.1-131.2-113.8 130.5 22.9 -44.8 7.9 57 288 A I E -D 70 0A 58 -11,-0.6 13,-0.2 -2,-0.5 3,-0.1 -0.552 18.5-175.4 -81.7 141.0 23.6 -47.8 5.7 58 289 A K E - 0 0 70 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.739 69.1 -18.4-102.1 -34.0 25.1 -51.0 7.3 59 290 A N E -D 69 0A 29 10,-1.4 10,-1.3 2,-0.0 -1,-0.4 -0.971 58.9-136.5-168.7 160.8 25.6 -53.0 4.2 60 291 A F E +D 68 0A 74 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.959 15.4 175.0-132.8 146.3 24.5 -53.3 0.5 61 292 A F E -D 67 0A 78 6,-1.9 6,-1.7 -2,-0.3 -2,-0.0 -0.937 10.4-179.5-152.0 125.9 23.5 -56.1 -1.9 62 293 A D + 0 0 73 -2,-0.3 3,-0.3 4,-0.2 6,-0.0 0.070 34.0 77.5-105.8-149.5 22.3 -55.7 -5.5 63 294 A A S S+ 0 0 75 1,-0.2 2,-0.3 3,-0.0 4,-0.1 0.211 90.8 28.9 62.3 169.9 21.1 -57.9 -8.3 64 295 A E S S- 0 0 81 2,-0.1 2,-0.3 -62,-0.0 -1,-0.2 -0.273 134.9 -10.1 49.4-105.9 17.7 -59.5 -8.5 65 296 A D S S- 0 0 90 -2,-0.3 2,-0.4 -3,-0.3 -29,-0.0 -0.802 90.9 -90.4-114.9 166.9 15.8 -56.9 -6.6 66 297 A Y - 0 0 147 -2,-0.3 2,-0.5 2,-0.0 -4,-0.2 -0.613 39.9-178.3 -91.8 125.1 17.4 -54.1 -4.6 67 298 A Y E + D 0 61A 37 -6,-1.7 -6,-1.9 -2,-0.4 2,-0.5 -0.958 9.0 171.1-127.3 116.3 18.3 -54.5 -0.9 68 299 A I E -CD 35 60A 30 -33,-1.1 -33,-3.9 -2,-0.5 2,-0.5 -0.934 17.9-157.0-124.7 107.8 19.8 -51.8 1.3 69 300 A V E +CD 34 59A 3 -10,-1.3 -11,-2.8 -2,-0.5 -10,-1.4 -0.726 16.9 174.6 -90.5 125.0 20.0 -52.7 5.0 70 301 A L E -CD 33 57A 31 -37,-3.2 -37,-1.8 -2,-0.5 -13,-0.2 -0.922 45.9 -81.2-126.7 152.1 20.2 -49.9 7.5 71 302 A E E -C 32 0A 75 -15,-1.1 -15,-0.2 -2,-0.3 -39,-0.2 -0.314 63.5-111.3 -50.4 121.1 20.1 -49.7 11.3 72 303 A L - 0 0 56 -41,-0.5 2,-0.6 1,-0.1 -1,-0.1 -0.286 18.1-140.8 -69.3 138.9 16.4 -49.9 12.1 73 304 A M > - 0 0 36 1,-0.2 3,-0.5 -3,-0.1 52,-0.2 -0.885 10.4-167.9 -96.0 118.0 14.3 -47.0 13.5 74 305 A E T 3 S+ 0 0 60 51,-1.2 52,-0.3 -2,-0.6 51,-0.2 0.878 78.9 71.5 -71.4 -38.9 11.8 -48.3 16.0 75 306 A G T 3 S- 0 0 11 50,-1.5 -1,-0.2 49,-0.9 50,-0.2 0.734 87.5-159.3 -51.4 -28.2 9.9 -45.0 16.2 76 307 A G E < -F 124 0B 25 48,-0.7 48,-1.8 -3,-0.5 2,-0.3 -0.493 43.9 -7.7 81.5-151.2 8.5 -45.6 12.7 77 308 A E E > -F 123 0B 62 46,-0.2 4,-0.9 -2,-0.2 46,-0.2 -0.610 48.9-140.8 -84.5 138.8 7.1 -42.8 10.5 78 309 A L H > S+ 0 0 0 44,-2.4 4,-0.7 41,-1.3 3,-0.4 0.847 105.2 66.9 -58.9 -33.8 6.6 -39.3 11.8 79 310 A F H >4 S+ 0 0 71 40,-0.9 3,-3.0 1,-0.2 -1,-0.2 0.967 92.8 54.7 -46.8 -65.9 3.4 -39.6 9.7 80 311 A D H >4 S+ 0 0 114 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.798 106.3 54.0 -39.2 -40.5 1.9 -42.2 11.9 81 312 A K H 3< S+ 0 0 55 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.654 116.1 35.8 -75.7 -16.3 2.3 -39.9 15.0 82 313 A V T << S+ 0 0 12 -3,-3.0 3,-0.3 -4,-0.7 5,-0.2 -0.077 90.1 106.1-133.4 36.8 0.5 -37.0 13.4 83 314 A V X + 0 0 60 -3,-0.8 3,-0.7 1,-0.2 107,-0.0 -0.543 62.2 47.8-105.5 178.3 -2.4 -38.4 11.3 84 315 A G T 3 S- 0 0 63 1,-0.2 -1,-0.2 -2,-0.2 -4,-0.0 0.794 130.7 -76.1 58.0 26.7 -6.1 -38.3 12.1 85 316 A N T 3 S+ 0 0 117 -3,-0.3 -1,-0.2 104,-0.2 -2,-0.1 0.930 88.9 150.0 49.3 53.8 -5.4 -34.7 12.8 86 317 A K < - 0 0 68 -3,-0.7 -1,-0.1 1,-0.1 -3,-0.1 0.570 33.9-161.8 -91.6 -11.8 -3.8 -35.6 16.2 87 318 A R - 0 0 90 -5,-0.2 2,-0.3 102,-0.1 100,-0.2 0.090 9.5-115.4 56.5-175.2 -1.4 -32.7 16.2 88 319 A L - 0 0 27 98,-0.8 -1,-0.1 99,-0.3 -6,-0.0 -0.985 25.1 -90.0-155.2 154.2 1.7 -32.6 18.4 89 320 A K > - 0 0 67 -2,-0.3 4,-2.7 1,-0.1 5,-0.1 -0.274 36.8-116.0 -64.6 150.0 3.1 -30.6 21.4 90 321 A E H > S+ 0 0 57 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.915 117.8 50.6 -50.6 -48.8 5.2 -27.5 20.7 91 322 A A H > S+ 0 0 70 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.936 108.5 51.6 -56.5 -50.4 8.2 -29.2 22.3 92 323 A T H > S+ 0 0 11 2,-0.2 4,-3.4 3,-0.2 -2,-0.2 0.951 115.2 43.1 -49.5 -54.3 7.7 -32.3 20.2 93 324 A C H X>S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.6 0.978 113.8 48.4 -56.9 -63.9 7.7 -30.1 17.1 94 325 A K H X5S+ 0 0 5 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.905 118.6 41.4 -44.0 -53.9 10.5 -27.8 18.0 95 326 A L H X5S+ 0 0 10 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.975 121.4 42.1 -59.4 -57.9 12.7 -30.8 18.9 96 327 A Y H >X5S+ 0 0 20 -4,-3.4 4,-1.8 -5,-0.3 3,-1.1 0.980 119.3 41.1 -49.1 -73.9 11.6 -32.9 15.9 97 328 A F H 3X5S+ 0 0 2 -4,-2.6 4,-3.0 1,-0.3 5,-0.2 0.847 108.2 63.7 -46.8 -43.2 11.6 -30.1 13.3 98 329 A Y H 3X<>S+ 0 0 8 -4,-2.6 5,-2.8 2,-0.2 3,-0.8 0.970 111.4 43.8 -67.3 -55.6 22.3 -32.2 2.7 108 339 A H H ><5S+ 0 0 7 -4,-2.1 3,-2.3 1,-0.3 -2,-0.2 0.869 107.9 60.3 -58.4 -38.9 22.3 -28.8 1.1 109 340 A E H 3<5S+ 0 0 82 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.844 107.0 47.0 -56.7 -34.1 25.7 -28.2 2.5 110 341 A N T <<5S- 0 0 85 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.029 125.2-106.2 -95.4 25.8 26.8 -31.3 0.5 111 342 A G T < 5S+ 0 0 22 -3,-2.3 33,-2.9 1,-0.2 2,-0.4 0.836 77.4 141.1 53.3 35.7 25.0 -29.9 -2.5 112 343 A I E < -H 143 0C 24 -5,-2.8 2,-0.4 31,-0.2 -1,-0.2 -0.908 37.4-162.6-113.9 136.4 22.3 -32.6 -2.0 113 344 A I E -H 142 0C 12 29,-2.0 29,-1.4 -2,-0.4 59,-0.1 -0.970 10.3-164.3-117.4 129.8 18.6 -32.1 -2.4 114 345 A H - 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0 0 58 -20,-2.5 2,-0.4 -21,-0.1 -1,-0.1 -0.475 47.0-163.7 -62.6 117.9 -5.8 -22.4 4.2 213 447 A F - 0 0 83 -2,-0.4 -1,-0.0 -3,-0.1 -3,-0.0 -0.905 18.2-179.5-115.4 136.8 -5.7 -20.9 7.7 214 448 A I >> - 0 0 64 -2,-0.4 4,-1.7 1,-0.1 3,-1.4 -0.881 8.5-171.6-136.7 101.0 -7.9 -21.8 10.7 215 449 A P H 3> S+ 0 0 80 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.739 75.2 85.7 -63.7 -25.8 -7.3 -19.8 13.9 216 450 A E H 34 S+ 0 0 177 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.612 113.1 16.2 -55.2 -11.2 -9.7 -22.0 15.9 217 451 A V H X4 S+ 0 0 46 -3,-1.4 3,-1.7 2,-0.0 4,-0.3 0.563 115.0 70.0-128.0 -34.4 -6.6 -24.2 16.3 218 452 A W H 3< S+ 0 0 12 -4,-1.7 -2,-0.2 1,-0.3 8,-0.1 0.365 82.9 80.9 -70.5 8.1 -3.7 -21.9 15.4 219 453 A A T 3< S+ 0 0 89 -4,-0.9 -1,-0.3 1,-0.2 -3,-0.1 0.555 86.4 55.1 -89.1 -9.6 -4.4 -20.0 18.6 220 454 A E S < S+ 0 0 83 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.647 88.5 93.9 -97.0 -19.4 -2.6 -22.6 20.7 221 455 A V S S- 0 0 29 -4,-0.3 -132,-0.0 1,-0.1 -33,-0.0 -0.167 86.4 -84.7 -71.2 168.1 0.8 -22.4 18.9 222 456 A S > - 0 0 41 1,-0.1 4,-1.1 29,-0.0 5,-0.2 -0.178 29.7-119.3 -68.7 165.2 3.6 -20.2 19.9 223 457 A E T 4 S+ 0 0 102 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.646 116.3 37.6 -79.4 -15.9 3.9 -16.5 18.9 224 458 A K T > S+ 0 0 28 2,-0.1 4,-1.4 3,-0.1 27,-0.3 0.700 106.0 66.2-104.4 -28.3 7.2 -17.3 17.1 225 459 A A H >> S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 3,-0.5 0.953 104.2 42.9 -60.6 -54.4 6.3 -20.7 15.7 226 460 A L H 3X S+ 0 0 47 -4,-1.1 4,-3.2 1,-0.2 5,-0.2 0.925 109.6 57.3 -58.7 -47.4 3.6 -19.6 13.3 227 461 A D H 3> S+ 0 0 80 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.811 108.0 50.4 -54.3 -31.8 5.7 -16.6 12.2 228 462 A L H X S+ 0 0 2 -4,-2.1 4,-1.5 1,-0.2 3,-1.3 0.902 112.5 53.6 -47.7 -47.1 6.1 -21.4 9.2 230 464 A K H >< S+ 0 0 33 -4,-3.2 3,-0.5 1,-0.3 -1,-0.2 0.929 109.8 45.7 -54.8 -49.1 4.7 -18.3 7.6 231 465 A K H 3< S+ 0 0 29 -4,-1.7 10,-1.2 -5,-0.2 -1,-0.3 0.489 110.6 58.0 -75.1 -1.8 8.2 -17.1 6.6 232 466 A L H << S+ 0 0 4 -3,-1.3 2,-1.0 -4,-0.7 -52,-0.3 0.715 95.1 62.3 -99.4 -27.1 8.9 -20.6 5.4 233 467 A L S << S+ 0 0 7 -4,-1.5 2,-0.5 -3,-0.5 -1,-0.2 -0.574 70.8 151.0 -99.3 69.2 6.1 -20.9 2.9 234 468 A V - 0 0 40 -2,-1.0 6,-0.1 -3,-0.2 -25,-0.1 -0.874 46.9-142.8-104.4 131.6 7.1 -18.1 0.5 235 469 A V S S+ 0 0 63 -2,-0.5 -1,-0.1 -27,-0.2 -26,-0.1 0.689 88.7 75.5 -64.7 -17.1 6.2 -18.4 -3.2 236 470 A D >> - 0 0 81 1,-0.1 3,-1.1 3,-0.0 4,-0.5 -0.868 66.9-161.0-102.0 111.5 9.5 -16.8 -4.0 237 471 A P T 34 S+ 0 0 47 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.749 92.2 60.7 -59.3 -25.1 12.5 -19.3 -3.6 238 472 A K T 34 S+ 0 0 57 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.817 112.2 35.6 -73.5 -31.8 14.8 -16.3 -3.4 239 473 A A T <4 S+ 0 0 64 -3,-1.1 2,-0.4 2,-0.1 -1,-0.2 0.306 92.3 115.7-103.5 6.8 13.1 -14.9 -0.3 240 474 A R S < S- 0 0 29 -4,-0.5 -8,-0.2 -3,-0.3 -64,-0.1 -0.643 80.6 -95.4 -82.1 131.2 12.4 -18.3 1.2 241 475 A F - 0 0 59 -10,-1.2 -1,-0.1 -2,-0.4 2,-0.1 -0.143 39.6-127.8 -47.3 124.8 14.2 -19.0 4.5 242 476 A T > - 0 0 37 1,-0.1 4,-2.9 -3,-0.1 5,-0.2 -0.429 21.2-113.3 -71.4 150.2 17.4 -21.0 3.9 243 477 A T H > S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 -138,-0.2 0.855 122.7 47.8 -52.1 -35.5 17.9 -24.2 5.9 244 478 A E H > S+ 0 0 58 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.950 109.9 50.4 -68.2 -51.3 20.7 -22.3 7.6 245 479 A E H >> S+ 0 0 90 1,-0.2 3,-0.8 2,-0.2 4,-0.8 0.864 104.6 59.5 -55.8 -40.0 18.6 -19.1 8.2 246 480 A A H >< S+ 0 0 3 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.913 97.7 57.5 -57.8 -46.7 15.8 -21.2 9.8 247 481 A L H 3< S+ 0 0 48 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.782 105.4 52.5 -56.9 -27.6 18.0 -22.6 12.6 248 482 A R H << S+ 0 0 197 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.668 84.6 115.0 -82.3 -18.5 18.8 -19.0 13.6 249 483 A H S X< S- 0 0 9 -3,-1.5 3,-1.8 -4,-0.8 4,-0.1 -0.175 79.6-114.0 -52.0 144.5 15.1 -18.1 13.8 250 484 A P G > S+ 0 0 85 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.862 112.1 60.3 -48.9 -49.5 13.8 -17.3 17.3 251 485 A W G 3 S+ 0 0 27 1,-0.3 -26,-0.1 -27,-0.3 -2,-0.1 0.613 104.7 52.3 -62.2 -11.2 11.5 -20.3 17.7 252 486 A L G < S+ 0 0 15 -3,-1.8 2,-1.1 -6,-0.2 -1,-0.3 0.289 82.9 93.6-106.8 7.1 14.6 -22.5 17.3 253 487 A Q < + 0 0 82 -3,-2.8 2,-0.4 -4,-0.1 -1,-0.1 -0.668 55.1 135.2 -95.6 76.1 16.6 -20.7 20.0 254 488 A D > - 0 0 72 -2,-1.1 4,-1.7 1,-0.1 3,-0.4 -0.921 46.1-161.9-135.0 106.4 15.6 -23.1 22.8 255 489 A E T 4 S+ 0 0 85 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 0.817 97.3 58.2 -53.7 -32.5 18.1 -24.5 25.3 256 490 A D T >> S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 3,-1.6 0.938 103.6 49.8 -62.6 -49.0 15.5 -27.2 26.1 257 491 A M T 34 S+ 0 0 11 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 116.1 43.4 -58.1 -34.8 15.5 -28.4 22.4 258 492 A K T 3< S+ 0 0 47 -4,-1.7 -1,-0.3 3,-0.2 4,-0.2 0.287 116.1 48.6 -96.0 8.3 19.3 -28.5 22.5 259 493 A R T <4 S+ 0 0 52 -3,-1.6 4,-0.4 -5,-0.2 -2,-0.2 0.663 110.8 45.8-114.1 -35.4 19.3 -30.1 25.9 260 494 A K S < S+ 0 0 53 -4,-2.9 -2,-0.1 -5,-0.1 -3,-0.1 0.434 125.8 37.9 -82.8 -0.7 16.8 -32.9 25.4 261 495 A F S > S+ 0 0 22 -5,-0.3 4,-0.8 2,-0.1 -3,-0.2 0.763 104.7 58.8-114.3 -52.4 18.7 -33.5 22.1 262 496 A Q T 4 S+ 0 0 49 1,-0.2 4,-0.3 -4,-0.2 -2,-0.1 0.666 116.5 41.8 -57.4 -15.7 22.4 -33.0 22.7 263 497 A D T >> S+ 0 0 112 -4,-0.4 4,-0.9 2,-0.2 3,-0.8 0.751 98.9 69.1-100.2 -33.6 22.1 -35.7 25.3 264 498 A L T 34 S+ 0 0 37 1,-0.3 -2,-0.2 2,-0.2 -132,-0.2 0.607 94.2 63.3 -62.4 -10.8 19.8 -38.1 23.3 265 499 A L T >X S+ 0 0 82 -4,-0.8 3,-1.7 1,-0.2 4,-0.6 0.892 99.8 49.0 -76.6 -44.1 22.9 -38.6 21.1 266 500 A S T <4 S+ 0 0 92 -3,-0.8 -2,-0.2 -4,-0.3 -1,-0.2 0.670 97.1 73.1 -67.5 -16.2 24.8 -40.1 24.0 267 501 A E T 3< S+ 0 0 87 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.417 93.6 55.8 -76.5 2.0 21.7 -42.3 24.4 268 502 A E T <4 0 0 86 -3,-1.7 -1,-0.2 0, 0.0 -2,-0.2 0.748 360.0 360.0-100.0 -35.5 22.9 -44.0 21.3 269 503 A N < 0 0 130 -4,-0.6 -2,-0.1 -3,-0.1 -3,-0.1 0.934 360.0 360.0 -69.4 360.0 26.3 -45.0 22.5