==== 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 TRANSFERASE 18-MAY-06 2CN5 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.W.OLIVER,L.H.PEARL . 283 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 66.1 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 . 42 14.8 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 2 1 2 0 0 2 0 0 0 1 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 . 1 1 1 0 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 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 1 208 A H 0 0 214 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.4 102.8 -42.5 12.5 2 209 A M + 0 0 201 2,-0.0 2,-0.3 0, 0.0 0, 0.0 0.156 360.0 36.8-118.6 11.7 102.2 -41.3 9.0 3 210 A S - 0 0 87 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.929 61.9-138.7-154.0 168.3 99.9 -38.4 10.2 4 211 A V - 0 0 127 -2,-0.3 3,-0.1 -3,-0.0 -2,-0.0 -0.928 36.3 -98.7-126.3 159.0 99.1 -35.7 12.7 5 212 A Y - 0 0 59 -2,-0.3 2,-0.0 1,-0.1 10,-0.0 -0.471 52.7 -92.8 -65.0 145.4 95.8 -34.6 14.2 6 213 A P >> - 0 0 30 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.355 30.6-119.9 -62.2 144.7 94.3 -31.5 12.6 7 214 A K H 3> S+ 0 0 167 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.844 112.0 57.5 -51.4 -45.0 95.2 -28.2 14.3 8 215 A A H 3> S+ 0 0 60 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.842 110.3 44.7 -56.3 -36.2 91.6 -27.3 15.1 9 216 A L H X> S+ 0 0 0 -3,-0.7 4,-1.7 2,-0.2 3,-1.4 0.959 112.6 49.9 -68.7 -55.3 91.3 -30.6 17.0 10 217 A R H 3< S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.842 101.3 66.4 -53.1 -35.0 94.6 -30.1 18.8 11 218 A D H 3< S+ 0 0 123 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.845 117.1 21.7 -54.2 -35.9 93.5 -26.6 19.7 12 219 A E H << S+ 0 0 76 -3,-1.4 21,-2.4 -4,-0.6 22,-0.5 0.586 123.0 43.0-110.5 -17.8 90.7 -27.8 22.0 13 220 A Y E < -A 32 0A 4 -4,-1.7 2,-0.6 19,-0.2 19,-0.2 -0.979 59.2-141.4-140.3 144.1 91.6 -31.4 23.0 14 221 A I E -A 31 0A 86 17,-2.6 17,-2.3 -2,-0.3 2,-0.2 -0.953 34.0-136.6-103.9 116.0 94.6 -33.4 24.1 15 222 A M E +A 30 0A 33 -2,-0.6 15,-0.3 15,-0.2 2,-0.1 -0.467 30.5 166.4 -80.3 143.9 94.4 -36.8 22.4 16 223 A S E - 0 0 49 13,-3.1 -1,-0.1 1,-0.3 14,-0.0 -0.306 35.2 -17.9-132.4-149.5 95.1 -40.0 24.2 17 224 A K E - 0 0 129 11,-0.1 12,-3.3 1,-0.1 2,-0.3 -0.093 66.2 -94.1 -66.6 156.1 94.8 -43.9 24.0 18 225 A T E -A 28 0A 68 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.552 32.7-176.8 -70.7 126.9 92.5 -46.0 21.8 19 226 A L E - 0 0 71 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.780 61.4 -44.8 -91.8 -36.6 89.2 -46.9 23.5 20 227 A G E -A 27 0A 23 7,-1.4 7,-3.1 67,-0.1 -1,-0.4 -0.979 49.2-147.3-176.9-179.2 87.8 -49.1 20.7 21 228 A S E +A 26 0A 85 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.974 9.9 179.3-157.6 163.3 87.2 -49.5 17.0 22 229 A G - 0 0 48 3,-1.6 -2,-0.0 -2,-0.3 0, 0.0 -0.798 55.1 -68.0-147.3-161.5 84.8 -51.0 14.5 23 230 A A S S+ 0 0 122 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.710 131.2 30.0 -68.9 -22.8 84.2 -51.4 10.7 24 231 A C S S+ 0 0 65 1,-0.3 21,-0.6 20,-0.0 2,-0.3 0.852 121.3 15.4-101.8 -48.9 83.5 -47.6 10.5 25 232 A G E - B 0 44A 8 19,-0.1 -3,-1.6 2,-0.0 2,-0.4 -0.930 50.1-136.4-139.9 151.8 85.5 -45.7 13.2 26 233 A E E -AB 21 43A 77 17,-1.8 17,-3.3 -2,-0.3 2,-0.5 -0.912 28.0-146.3-103.4 135.4 88.4 -45.8 15.7 27 234 A V E -AB 20 42A 34 -7,-3.1 -8,-3.3 -2,-0.4 -7,-1.4 -0.882 14.4-167.2-113.6 125.8 87.5 -44.2 19.1 28 235 A K E -AB 18 41A 22 13,-2.9 13,-3.2 -2,-0.5 -10,-0.2 -0.876 22.2-122.5-116.0 142.3 90.1 -42.3 21.1 29 236 A L E + B 0 40A 12 -12,-3.3 -13,-3.1 -2,-0.4 2,-0.3 -0.523 41.6 170.3 -65.2 141.9 90.3 -41.0 24.7 30 237 A A E -AB 15 39A 0 9,-1.8 9,-2.3 -15,-0.3 2,-0.4 -0.972 30.1-129.2-146.7 168.5 90.9 -37.3 24.8 31 238 A F E -AB 14 38A 68 -17,-2.3 -17,-2.6 -2,-0.3 2,-0.5 -0.984 19.5-133.7-121.0 131.5 90.9 -34.4 27.3 32 239 A E E >> -AB 13 37A 25 5,-2.8 4,-2.5 -2,-0.4 5,-0.6 -0.705 13.7-150.0 -85.4 122.9 89.0 -31.3 26.7 33 240 A R T 45S+ 0 0 120 -21,-2.4 -1,-0.2 -2,-0.5 -20,-0.1 0.898 90.7 56.1 -64.5 -39.2 91.4 -28.4 27.5 34 241 A K T 45S+ 0 0 184 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.854 125.5 19.9 -62.4 -43.2 88.8 -26.0 28.6 35 242 A T T 45S- 0 0 68 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.595 92.6-133.7-100.8 -17.3 87.2 -28.3 31.3 36 243 A C T <5 + 0 0 104 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.729 64.6 131.8 63.5 25.4 90.2 -30.7 31.8 37 244 A K E < -B 32 0A 150 -5,-0.6 -5,-2.8 1,-0.0 -1,-0.3 -0.782 60.9 -99.0-112.4 154.5 87.6 -33.5 31.6 38 245 A K E +B 31 0A 105 -2,-0.3 45,-0.5 -7,-0.2 2,-0.3 -0.427 39.9 169.2 -77.1 138.8 87.6 -36.7 29.5 39 246 A V E -BC 30 82A 1 -9,-2.3 -9,-1.8 43,-0.2 2,-0.4 -0.822 30.3-122.3-133.9 169.6 85.8 -37.2 26.2 40 247 A A E -BC 29 81A 7 41,-2.8 41,-3.7 -2,-0.3 2,-0.5 -0.965 21.4-158.2-111.6 138.9 85.7 -39.9 23.5 41 248 A I E -BC 28 80A 0 -13,-3.2 -13,-2.9 -2,-0.4 2,-0.5 -0.951 3.6-153.1-122.7 114.0 86.6 -38.9 19.9 42 249 A K E -BC 27 79A 18 37,-3.0 37,-2.7 -2,-0.5 2,-0.6 -0.702 9.1-154.6 -82.7 124.5 85.4 -41.1 17.1 43 250 A I E -BC 26 78A 25 -17,-3.3 -17,-1.8 -2,-0.5 2,-0.5 -0.900 10.6-173.8-104.9 121.8 87.6 -40.9 14.0 44 251 A I E -BC 25 77A 13 33,-2.5 33,-3.0 -2,-0.6 -19,-0.1 -0.969 19.1-134.6-118.6 120.1 85.9 -41.7 10.7 45 252 A S E - C 0 76A 72 -21,-0.6 31,-0.2 -2,-0.5 30,-0.0 -0.437 2.3-144.7 -73.7 144.7 88.1 -41.9 7.5 46 253 A K 0 0 88 29,-0.6 -1,-0.1 -2,-0.1 30,-0.1 0.614 360.0 360.0 -86.9 -13.7 86.9 -40.2 4.3 47 254 A R 0 0 259 0, 0.0 29,-0.1 0, 0.0 -2,-0.0 0.595 360.0 360.0 80.3 360.0 88.4 -42.9 2.0 48 ! 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 49 269 A N > 0 0 154 0, 0.0 4,-1.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -80.7 76.2 -39.3 5.3 50 270 A V H > + 0 0 12 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.784 360.0 65.0 -71.1 -32.2 78.2 -38.5 8.5 51 271 A E H > S+ 0 0 146 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 102.7 45.0 -46.4 -53.1 76.3 -35.2 7.9 52 272 A T H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.884 113.2 49.3 -67.9 -37.9 73.1 -37.2 8.5 53 273 A E H X S+ 0 0 12 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.904 113.0 46.7 -65.1 -42.6 74.5 -39.1 11.5 54 274 A I H X S+ 0 0 10 -4,-3.4 4,-2.5 2,-0.2 -2,-0.2 0.926 113.4 50.6 -62.1 -44.1 75.7 -35.8 13.1 55 275 A E H X S+ 0 0 124 -4,-2.6 4,-1.0 -5,-0.3 -2,-0.2 0.871 111.3 46.7 -60.4 -42.1 72.3 -34.2 12.4 56 276 A I H X S+ 0 0 1 -4,-2.2 4,-0.5 1,-0.2 3,-0.5 0.935 113.8 48.7 -67.4 -44.9 70.4 -37.1 14.0 57 277 A L H >< S+ 0 0 6 -4,-2.2 3,-0.9 1,-0.2 11,-0.3 0.863 105.6 56.3 -64.5 -42.4 72.7 -37.1 17.0 58 278 A K H 3< S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 109.7 46.0 -60.3 -30.9 72.5 -33.3 17.6 59 279 A K H 3< S+ 0 0 108 -4,-1.0 2,-0.4 -3,-0.5 -1,-0.2 0.490 93.3 92.6 -94.7 -4.5 68.6 -33.3 17.9 60 280 A L << + 0 0 12 -3,-0.9 2,-0.3 -4,-0.5 58,-0.0 -0.777 46.5 176.9 -94.4 133.4 68.3 -36.4 20.2 61 281 A N + 0 0 120 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.826 25.3 127.6-141.8 92.8 68.1 -35.8 24.0 62 282 A H > - 0 0 27 -2,-0.3 3,-1.6 3,-0.3 -2,-0.0 -0.986 59.3-127.5-147.1 138.8 67.6 -38.9 26.1 63 283 A P T 3 S+ 0 0 45 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.718 110.7 51.7 -62.0 -20.8 69.6 -40.2 29.1 64 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.1 81,-0.1 2,-0.4 0.104 98.0 78.0-103.9 21.6 70.0 -43.6 27.4 65 285 A I B < S-e 146 0B 3 -3,-1.6 -3,-0.3 80,-0.3 82,-0.2 -0.996 88.9-107.2-128.2 130.7 71.4 -42.2 24.0 66 286 A I - 0 0 7 80,-2.8 2,-0.4 -2,-0.4 -6,-0.1 -0.261 33.9-135.1 -52.4 138.9 75.0 -41.1 23.6 67 287 A K - 0 0 69 -4,-0.1 15,-1.7 -6,-0.1 2,-0.3 -0.840 5.3-136.2-101.0 140.2 75.4 -37.3 23.3 68 288 A I E +D 81 0A 21 -2,-0.4 13,-0.2 -11,-0.3 3,-0.1 -0.725 20.8 178.4 -86.7 138.0 77.6 -35.5 20.7 69 289 A K E - 0 0 102 11,-3.4 2,-0.3 1,-0.4 12,-0.2 0.675 61.9 -10.5-111.8 -28.6 79.7 -32.6 22.1 70 290 A N E -D 80 0A 38 10,-1.3 10,-2.0 2,-0.0 -1,-0.4 -0.963 55.0-147.0-165.4 170.8 81.6 -31.4 19.1 71 291 A F E -D 79 0A 57 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.965 2.8-165.2-156.6 131.1 82.5 -32.1 15.5 72 292 A F E -D 78 0A 21 6,-2.6 6,-2.9 -2,-0.3 2,-0.7 -0.978 6.2-163.2-120.0 132.1 85.5 -31.6 13.1 73 293 A D E +D 77 0A 99 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.828 45.1 126.4-112.6 87.9 85.3 -32.0 9.3 74 294 A A S S- 0 0 28 2,-2.4 -2,-0.0 -2,-0.7 0, 0.0 -0.089 85.1 -47.0-121.7-150.2 89.1 -32.3 8.4 75 295 A E S S+ 0 0 179 -2,-0.1 -29,-0.6 -30,-0.0 2,-0.3 0.822 139.3 20.2 -63.3 -29.1 91.0 -34.9 6.4 76 296 A D E S-C 45 0A 47 -31,-0.2 -2,-2.4 -30,-0.1 2,-0.4 -0.787 97.5-105.5-116.9 173.9 89.0 -37.3 8.6 77 297 A Y E -CD 44 73A 57 -33,-3.0 -33,-2.5 -2,-0.3 2,-0.5 -0.860 29.3-159.4 -95.4 139.3 85.8 -36.7 10.5 78 298 A Y E -CD 43 72A 10 -6,-2.9 -6,-2.6 -2,-0.4 2,-0.6 -0.983 5.2-169.6-119.5 121.5 86.1 -36.3 14.3 79 299 A I E -CD 42 71A 1 -37,-2.7 -37,-3.0 -2,-0.5 2,-0.5 -0.947 11.4-151.8-110.8 113.1 83.0 -36.8 16.4 80 300 A V E +CD 41 70A 0 -10,-2.0 -11,-3.4 -2,-0.6 -10,-1.3 -0.744 24.4 174.5 -86.2 126.9 83.5 -35.8 20.0 81 301 A L E -CD 40 68A 22 -41,-3.7 -41,-2.8 -2,-0.5 -13,-0.2 -0.860 39.3 -89.4-128.5 155.2 81.2 -37.8 22.4 82 302 A E E -C 39 0A 46 -15,-1.7 2,-0.4 -2,-0.3 -43,-0.2 -0.427 54.4-109.4 -58.9 144.5 80.7 -38.2 26.1 83 303 A L - 0 0 33 -45,-0.5 2,-0.7 -2,-0.1 -1,-0.1 -0.671 21.8-153.6 -84.3 133.4 83.0 -40.8 27.4 84 304 A M > - 0 0 19 -2,-0.4 3,-0.7 1,-0.1 52,-0.2 -0.924 7.1-168.7-108.8 113.6 81.5 -44.1 28.5 85 305 A E T 3 S+ 0 0 115 51,-1.0 51,-0.2 -2,-0.7 52,-0.2 0.441 76.3 61.5 -88.7 -2.6 83.8 -45.6 31.1 86 306 A G T 3 S- 0 0 19 49,-2.4 -1,-0.2 1,-0.2 50,-0.2 0.356 92.5-143.3-103.5 6.6 82.3 -49.1 31.3 87 307 A G < - 0 0 28 -3,-0.7 48,-3.0 48,-0.4 -1,-0.2 -0.147 43.6 -17.0 67.1-161.0 82.9 -50.2 27.7 88 308 A E B > -F 134 0B 46 46,-0.2 3,-0.6 1,-0.1 4,-0.4 -0.473 45.6-131.3 -79.5 146.4 80.7 -52.3 25.5 89 309 A L G > S+ 0 0 0 44,-3.0 3,-1.5 41,-1.0 4,-0.4 0.811 107.6 69.3 -54.9 -33.4 77.8 -54.6 26.5 90 310 A F G >> S+ 0 0 92 40,-1.1 3,-1.9 43,-0.3 4,-1.2 0.897 89.9 60.1 -54.4 -42.8 79.5 -57.2 24.3 91 311 A D G <4 S+ 0 0 86 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.727 102.6 53.4 -61.5 -19.7 82.4 -57.5 26.7 92 312 A K G <4 S+ 0 0 61 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.540 115.6 37.1 -92.0 -6.5 79.9 -58.6 29.4 93 313 A V T <4 S+ 0 0 8 -3,-1.9 -2,-0.2 -4,-0.4 4,-0.1 0.381 89.7 101.6-129.4 -0.2 78.4 -61.5 27.3 94 314 A V >< + 0 0 45 -4,-1.2 3,-0.7 2,-0.2 110,-0.0 -0.347 63.3 54.8 -86.7 173.0 81.4 -63.0 25.3 95 315 A G T 3 S- 0 0 63 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.852 131.4 -79.9 60.8 39.2 83.1 -66.2 26.3 96 316 A N T 3 S+ 0 0 129 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.826 99.2 144.9 35.5 35.0 79.6 -67.5 26.2 97 317 A K < - 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0 0 50 0, 0.0 21,-0.1 0, 0.0 -9,-0.1 -0.519 19.6-140.8 -77.1 142.2 73.2 -66.4 20.0 206 426 A P S S+ 0 0 1 0, 0.0 20,-2.9 0, 0.0 2,-0.4 0.807 94.3 38.4 -67.7 -35.7 69.7 -67.6 18.8 207 427 A F S S+ 0 0 21 18,-0.2 2,-0.3 19,-0.0 18,-0.1 -0.982 79.8 144.2-121.7 129.7 70.8 -67.9 15.2 208 428 A S - 0 0 32 -2,-0.4 4,-0.1 1,-0.1 11,-0.0 -0.984 51.0-132.5-165.1 151.3 74.3 -69.3 14.6 209 429 A E S S+ 0 0 133 -2,-0.3 4,-0.4 3,-0.1 2,-0.4 0.696 79.9 97.4 -89.5 -18.4 76.2 -71.5 12.1 210 430 A H S S+ 0 0 142 2,-0.1 2,-0.6 3,-0.0 -2,-0.1 -0.596 100.2 0.2 -69.7 123.2 78.0 -73.6 14.8 211 431 A R S S+ 0 0 147 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.0 -0.910 112.0 77.1 101.1-121.7 75.9 -76.8 15.1 212 432 A T - 0 0 47 -2,-0.6 3,-0.1 1,-0.1 -2,-0.1 0.192 56.9-157.1 32.4 -93.5 72.9 -76.6 12.7 213 433 A Q + 0 0 181 1,-0.5 2,-0.3 -4,-0.4 -1,-0.1 -0.209 68.6 107.3 89.9 -39.1 73.6 -77.3 8.9 214 434 A V S S- 0 0 68 1,-0.1 -1,-0.5 2,-0.1 5,-0.1 -0.596 87.6-104.2 -60.2 128.3 70.5 -75.3 8.2 215 435 A S > - 0 0 44 -2,-0.3 4,-2.2 -3,-0.1 3,-0.4 -0.310 19.3-118.9 -60.1 142.8 71.8 -72.0 6.8 216 436 A L H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.868 116.9 54.4 -46.7 -44.1 71.8 -68.9 9.1 217 437 A K H > S+ 0 0 144 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.930 107.4 48.9 -57.8 -46.0 69.5 -67.3 6.6 218 438 A D H > S+ 0 0 82 -3,-0.4 4,-1.5 1,-0.2 6,-0.3 0.840 109.9 52.4 -67.0 -36.5 66.9 -70.2 6.8 219 439 A Q H X>S+ 0 0 10 -4,-2.2 5,-1.2 2,-0.2 4,-0.9 0.862 112.2 45.2 -63.6 -43.2 67.0 -70.1 10.6 220 440 A I H <5S+ 0 0 61 -4,-2.0 3,-0.4 2,-0.2 -2,-0.2 0.946 113.3 47.4 -70.6 -50.0 66.2 -66.4 10.7 221 441 A T H <5S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.818 117.6 43.3 -65.3 -27.6 63.4 -66.4 8.1 222 442 A S H <5S- 0 0 61 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.687 103.5-134.9 -84.7 -16.5 61.8 -69.4 9.8 223 443 A G T <5 + 0 0 3 -4,-0.9 2,-1.7 -3,-0.4 -3,-0.2 0.691 52.7 148.9 68.8 20.5 62.3 -67.8 13.2 224 444 A K < - 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0 0 41 -2,-0.4 4,-1.5 1,-0.1 5,-0.1 -0.122 21.8-122.0 -57.0 156.3 62.2 -66.9 34.3 237 457 A E H > S+ 0 0 180 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.842 111.9 58.7 -64.5 -39.1 59.3 -67.8 32.1 238 458 A K H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.865 103.9 49.7 -56.8 -45.7 58.4 -64.1 31.8 239 459 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 112.9 46.4 -63.2 -46.6 61.8 -63.2 30.3 240 460 A L H X S+ 0 0 27 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.881 106.9 57.9 -64.6 -41.0 61.6 -66.0 27.7 241 461 A D H X S+ 0 0 58 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.916 107.3 48.6 -54.4 -43.7 58.0 -65.0 26.8 242 462 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.916 108.6 52.3 -64.0 -46.6 59.2 -61.5 26.0 243 463 A V H >X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.8 0.933 108.4 53.4 -47.3 -51.2 62.1 -62.8 23.8 244 464 A K H 3< S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 107.3 50.1 -56.8 -38.0 59.5 -64.9 21.9 245 465 A K H 3< S+ 0 0 75 -4,-1.4 10,-2.6 1,-0.2 3,-0.3 0.663 113.4 45.6 -77.3 -19.7 57.3 -61.8 21.2 246 466 A L H << S+ 0 0 0 -4,-1.2 -52,-0.2 -3,-0.8 -2,-0.2 0.720 105.9 59.5 -91.6 -26.6 60.3 -59.9 19.8 247 467 A L S < S+ 0 0 7 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 -0.196 73.4 133.7 -96.9 39.2 61.6 -62.7 17.7 248 468 A V - 0 0 45 -3,-0.3 6,-0.1 1,-0.1 -25,-0.1 -0.785 52.8-144.4 -87.6 131.1 58.3 -63.0 15.7 249 469 A V S S+ 0 0 71 -2,-0.4 -1,-0.1 -27,-0.1 -26,-0.1 0.858 82.3 79.7 -71.9 -35.1 59.1 -63.2 11.9 250 470 A D S >> S- 0 0 82 1,-0.2 4,-1.6 2,-0.0 3,-0.9 -0.629 71.3-155.4 -70.1 110.1 56.0 -61.1 10.8 251 471 A P T 34 S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.750 92.1 55.2 -67.5 -20.7 57.1 -57.5 11.4 252 472 A K T 34 S+ 0 0 100 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.758 112.9 41.0 -78.2 -27.3 53.5 -56.4 11.8 253 473 A A T <4 S+ 0 0 58 -3,-0.9 -1,-0.2 2,-0.1 3,-0.1 0.632 93.1 109.6 -91.4 -17.1 52.8 -59.0 14.6 254 474 A R S < S- 0 0 21 -4,-1.6 -8,-0.2 -6,-0.1 -9,-0.1 -0.303 81.9 -96.3 -58.4 139.9 56.2 -58.3 16.3 255 475 A F - 0 0 35 -10,-2.6 2,-0.2 -13,-0.1 -1,-0.1 -0.255 35.6-141.6 -56.3 138.2 56.2 -56.5 19.6 256 476 A T > - 0 0 52 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.508 32.1-100.1 -88.0 167.9 56.8 -52.8 19.5 257 477 A T H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.896 126.1 54.9 -60.1 -36.1 58.9 -51.1 22.2 258 478 A E H > S+ 0 0 67 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.907 108.1 46.3 -57.4 -46.7 55.5 -50.0 23.8 259 479 A E H 4 S+ 0 0 68 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.892 112.8 51.1 -68.0 -37.3 54.2 -53.5 24.0 260 480 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 6,-0.3 0.870 106.6 53.5 -64.2 -37.1 57.6 -54.7 25.4 261 481 A L H 3< S+ 0 0 21 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.756 110.2 49.0 -70.3 -22.1 57.5 -52.0 28.1 262 482 A R T 3< S+ 0 0 174 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.380 85.8 117.8 -93.8 -0.8 54.0 -53.3 29.1 263 483 A H S X> S- 0 0 8 -3,-1.2 3,-1.9 -4,-0.2 4,-0.5 -0.423 79.1-116.0 -67.0 141.1 55.2 -56.9 29.2 264 484 A P G >4 S+ 0 0 71 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.810 112.2 66.5 -44.9 -34.4 54.9 -58.5 32.7 265 485 A W G 34 S+ 0 0 1 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.793 101.8 46.4 -58.1 -32.3 58.8 -58.9 32.8 266 486 A L G <4 S+ 0 0 0 -3,-1.9 2,-1.9 -6,-0.3 -1,-0.3 0.472 82.3 96.9 -93.7 -4.0 59.2 -55.1 32.9 267 487 A Q << + 0 0 109 -3,-1.2 2,-0.4 -4,-0.5 -1,-0.1 -0.598 53.9 130.7 -82.2 77.6 56.6 -54.5 35.6 268 488 A D > - 0 0 45 -2,-1.9 4,-2.2 1,-0.1 5,-0.1 -0.904 40.1-172.5-142.0 100.2 59.3 -54.4 38.2 269 489 A E H > S+ 0 0 111 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.800 87.1 57.3 -68.0 -33.3 59.3 -51.5 40.6 270 490 A D H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 110.1 44.3 -58.3 -51.8 62.7 -52.5 42.2 271 491 A M H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.927 115.1 48.4 -59.5 -45.2 64.4 -52.4 38.7 272 492 A K H X S+ 0 0 41 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.892 109.9 51.3 -67.5 -39.1 62.7 -49.1 37.9 273 493 A R H X S+ 0 0 122 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.872 108.7 52.1 -63.1 -39.6 63.6 -47.5 41.2 274 494 A K H X S+ 0 0 70 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.868 109.6 50.4 -64.5 -37.2 67.2 -48.5 40.6 275 495 A F H X S+ 0 0 6 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.962 111.7 45.3 -64.5 -53.1 67.1 -46.9 37.2 276 496 A Q H X S+ 0 0 105 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.855 111.2 55.8 -58.4 -37.0 65.7 -43.5 38.5 277 497 A D H X S+ 0 0 82 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.933 108.4 46.4 -58.8 -49.0 68.3 -43.7 41.3 278 498 A L H X S+ 0 0 12 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.839 110.9 54.1 -62.5 -35.7 71.1 -44.0 38.7 279 499 A L H X S+ 0 0 25 -4,-2.1 4,-1.3 2,-0.2 3,-0.2 0.914 107.3 48.5 -63.1 -47.3 69.5 -41.1 36.7 280 500 A S H < S+ 0 0 72 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.868 106.8 57.1 -66.1 -37.2 69.4 -38.7 39.7 281 501 A E H < S+ 0 0 108 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.889 108.9 48.3 -53.1 -39.4 73.1 -39.5 40.6 282 502 A E H < S+ 0 0 101 -4,-1.1 2,-1.6 1,-0.2 -1,-0.2 0.853 97.8 69.6 -71.4 -38.2 74.1 -38.4 37.1 283 503 A N < 0 0 121 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.1 -0.340 360.0 360.0 -94.1 53.6 72.3 -35.2 37.0 284 504 A E 0 0 205 -2,-1.6 -2,-0.1 -3,-0.3 -3,-0.1 0.011 360.0 360.0-122.2 360.0 74.2 -33.1 39.5