==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-OCT-12 4BDH . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.SILVA-SANTISTEBAN,I.M.WESTWOOD,K.BOXALL,N.BROWN,S.PEACOC . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 67.0 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 . 36 12.8 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 . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 2 1 2 0 0 2 0 0 0 0 1 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 1 2 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 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 0 155 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.4 -54.3 40.5 21.2 2 211 A V - 0 0 126 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.880 360.0 -89.2-141.6 169.4 -53.4 43.0 18.3 3 212 A Y - 0 0 65 -2,-0.3 10,-0.0 1,-0.1 0, 0.0 -0.566 55.4 -90.8 -81.7 151.4 -50.1 44.3 16.8 4 213 A P > - 0 0 30 0, 0.0 4,-2.2 0, 0.0 3,-0.4 -0.245 30.1-120.6 -61.7 151.1 -48.7 47.6 18.4 5 214 A K H > S+ 0 0 172 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.857 112.6 58.7 -59.0 -36.7 -49.8 50.8 16.8 6 215 A A H > S+ 0 0 56 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.823 109.7 41.1 -60.7 -43.0 -46.1 51.6 16.0 7 216 A L H >> S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 3,-1.3 0.938 114.1 52.9 -69.9 -50.5 -45.6 48.4 13.9 8 217 A R H 3< S+ 0 0 138 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.758 101.3 62.6 -55.4 -32.3 -49.0 48.8 12.2 9 218 A D H 3< S+ 0 0 124 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.795 118.7 24.3 -65.1 -34.3 -48.0 52.4 11.2 10 219 A E H << S+ 0 0 71 -3,-1.3 16,-2.7 -4,-0.6 17,-0.4 0.641 122.4 47.7-104.1 -28.9 -45.2 51.1 9.0 11 220 A Y E < -A 25 0A 4 -4,-2.4 2,-0.7 14,-0.2 14,-0.2 -0.968 59.1-145.6-127.7 141.8 -46.2 47.6 8.1 12 221 A I E -A 24 0A 85 12,-2.2 12,-2.4 -2,-0.3 2,-0.1 -0.941 36.6-141.6 -99.0 105.6 -49.3 45.7 6.7 13 222 A M E +A 23 0A 33 -2,-0.7 10,-0.3 10,-0.2 2,-0.2 -0.390 29.4 160.8 -74.8 152.5 -49.0 42.3 8.5 14 223 A S E - 0 0 51 8,-2.7 8,-0.1 1,-0.3 -1,-0.1 -0.629 34.1 -4.5-145.7-160.0 -49.9 39.0 6.8 15 224 A K E - 0 0 56 -2,-0.2 7,-2.8 6,-0.2 2,-0.3 0.138 68.5-100.1 -40.0 148.1 -49.6 35.0 6.8 16 225 A T E A 21 0A 86 5,-0.2 5,-0.3 1,-0.1 -1,-0.1 -0.627 360.0 360.0 -81.4 130.7 -47.4 33.0 9.2 17 226 A L 0 0 122 3,-3.5 3,-0.2 -2,-0.3 4,-0.2 0.392 360.0 360.0-123.3 360.0 -44.0 31.9 7.8 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 85 0, 0.0 17,-3.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.3 -43.5 33.1 15.4 20 234 A V E - B 0 35A 53 15,-0.2 -3,-3.5 -3,-0.2 2,-0.3 -0.954 360.0-172.9-113.5 125.3 -42.4 34.6 12.0 21 235 A K E -AB 16 34A 39 13,-2.6 13,-3.3 -2,-0.4 2,-0.3 -0.864 25.1-117.8-120.9 155.7 -44.9 36.5 9.8 22 236 A L E + B 0 33A 22 -7,-2.8 -8,-2.7 -2,-0.3 2,-0.3 -0.658 40.1 171.6 -83.1 143.5 -45.0 38.0 6.3 23 237 A A E -AB 13 32A 0 9,-1.7 9,-2.7 -2,-0.3 2,-0.5 -0.979 28.6-130.8-150.7 157.9 -45.5 41.8 6.2 24 238 A F E -AB 12 31A 68 -12,-2.4 -12,-2.2 -2,-0.3 2,-0.4 -0.962 20.7-130.8-115.9 123.1 -45.4 44.6 3.7 25 239 A E E > -A 11 0A 34 5,-2.7 4,-2.5 -2,-0.5 5,-0.3 -0.608 17.3-145.3 -70.8 123.7 -43.4 47.8 4.3 26 240 A R T 4 S+ 0 0 124 -16,-2.7 -1,-0.2 -2,-0.4 -15,-0.1 0.775 93.1 55.1 -60.4 -34.5 -45.9 50.6 3.5 27 241 A K T 4 S+ 0 0 137 -17,-0.4 -1,-0.2 1,-0.1 -16,-0.1 0.851 126.9 16.8 -68.2 -41.7 -43.3 53.0 2.1 28 242 A T T 4 S- 0 0 64 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.533 89.0-132.7-110.0 -18.7 -41.8 50.5 -0.4 29 243 A C < + 0 0 98 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.498 61.2 141.6 66.9 9.4 -44.5 47.9 -0.7 30 244 A K - 0 0 145 -5,-0.3 -5,-2.7 1,-0.1 -1,-0.3 -0.499 55.4-109.5 -81.4 147.5 -41.7 45.4 -0.4 31 245 A K E +B 24 0A 100 -7,-0.2 44,-0.5 -2,-0.2 2,-0.2 -0.484 38.7 175.3 -76.7 147.0 -42.1 42.2 1.6 32 246 A V E -B 23 0A 1 -9,-2.7 -9,-1.7 -2,-0.2 2,-0.4 -0.822 28.0-119.2-137.1 176.6 -40.4 41.7 5.0 33 247 A A E -BC 22 73A 9 40,-2.7 40,-3.3 -2,-0.2 2,-0.6 -0.990 18.9-154.7-122.9 129.6 -40.4 39.0 7.7 34 248 A I E -BC 21 72A 0 -13,-3.3 -13,-2.6 -2,-0.4 2,-0.6 -0.935 4.2-157.5-110.4 112.8 -41.5 39.9 11.3 35 249 A K E -BC 20 71A 28 36,-3.1 36,-2.6 -2,-0.6 2,-0.5 -0.800 10.1-157.6 -88.3 114.2 -40.0 37.7 14.1 36 250 A I E - C 0 70A 31 -17,-3.6 2,-0.4 -2,-0.6 34,-0.2 -0.884 10.3-175.2 -97.6 124.6 -42.3 37.9 17.2 37 251 A I E - C 0 69A 46 32,-2.4 32,-3.1 -2,-0.5 2,-0.1 -0.992 26.8-120.5-120.2 125.7 -40.6 36.9 20.6 38 252 A S E C 0 68A 84 -2,-0.4 30,-0.2 30,-0.2 29,-0.0 -0.386 360.0 360.0 -67.6 141.0 -42.8 36.8 23.8 39 253 A K 0 0 107 28,-0.7 -1,-0.1 -2,-0.1 28,-0.1 -0.033 360.0 360.0 -85.3 360.0 -41.7 39.2 26.6 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 41 269 A N > 0 0 135 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.2 -31.2 38.2 25.4 42 270 A V H > + 0 0 15 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.721 360.0 66.0 -73.0 -19.3 -33.0 40.0 22.4 43 271 A E H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.969 106.0 37.6 -63.8 -54.8 -30.9 43.0 23.5 44 272 A T H > S+ 0 0 55 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.923 113.8 57.6 -63.8 -45.8 -27.6 41.2 22.5 45 273 A E H X S+ 0 0 26 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.880 110.3 42.8 -50.9 -48.5 -29.3 39.6 19.4 46 274 A I H X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.908 115.6 49.5 -65.2 -46.2 -30.3 43.1 18.0 47 275 A E H X S+ 0 0 60 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.903 113.6 45.8 -60.3 -45.5 -26.8 44.6 18.9 48 276 A I H >X S+ 0 0 6 -4,-3.3 4,-1.8 1,-0.2 3,-0.7 0.984 116.6 44.8 -60.1 -59.0 -25.0 41.6 17.1 49 277 A L H 3< S+ 0 0 7 -4,-2.5 11,-0.4 1,-0.2 -2,-0.2 0.731 110.5 53.6 -57.5 -33.6 -27.3 41.8 14.0 50 278 A K H 3< S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.833 113.3 44.1 -70.5 -35.1 -27.1 45.6 13.7 51 279 A K H << S+ 0 0 80 -4,-1.4 -2,-0.2 -3,-0.7 2,-0.2 0.765 97.4 86.9 -79.8 -33.6 -23.3 45.4 13.7 52 280 A L < + 0 0 13 -4,-1.8 2,-0.3 -5,-0.1 58,-0.0 -0.514 49.1 177.4 -75.4 140.3 -22.9 42.5 11.3 53 281 A N + 0 0 113 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.746 25.4 124.5-146.7 92.9 -22.8 43.1 7.5 54 282 A H > - 0 0 32 3,-0.4 3,-1.7 -2,-0.3 52,-0.0 -0.992 61.1-123.0-146.5 144.4 -22.3 40.1 5.2 55 283 A P T 3 S+ 0 0 44 0, 0.0 4,-0.1 0, 0.0 47,-0.0 0.733 113.0 50.1 -63.4 -21.0 -24.3 38.8 2.2 56 284 A C T 3 S+ 0 0 0 46,-0.1 82,-2.6 81,-0.1 2,-0.4 0.148 98.8 78.0-103.7 19.3 -24.7 35.3 4.0 57 285 A I B < S-e 138 0B 3 -3,-1.7 -3,-0.4 80,-0.3 82,-0.2 -0.998 87.7-113.4-126.7 126.5 -25.9 36.8 7.3 58 286 A I - 0 0 5 80,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.217 31.8-134.9 -53.4 143.0 -29.6 38.0 7.7 59 287 A K - 0 0 62 -4,-0.1 15,-1.2 -6,-0.1 2,-0.3 -0.875 4.7-129.8-110.4 142.7 -30.1 41.8 8.2 60 288 A I E -D 73 0A 31 -11,-0.4 13,-0.2 -2,-0.4 3,-0.1 -0.692 21.6-179.6 -81.9 134.9 -32.3 43.6 10.7 61 289 A K E - 0 0 95 11,-3.4 2,-0.3 1,-0.4 12,-0.2 0.613 65.7 -19.7-106.7 -25.5 -34.4 46.2 9.0 62 290 A N E -D 72 0A 45 10,-1.3 10,-2.4 2,-0.0 -1,-0.4 -0.958 56.9-140.4-174.3 165.7 -36.2 47.5 12.1 63 291 A F E -D 71 0A 63 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -1.000 4.9-166.3-146.9 142.8 -37.2 46.6 15.7 64 292 A F E -D 70 0A 23 6,-3.0 6,-3.0 -2,-0.3 2,-0.8 -0.983 4.1-165.4-131.6 117.9 -40.2 47.1 18.1 65 293 A D E +D 69 0A 106 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.879 44.1 119.8-104.3 97.6 -40.1 46.6 21.9 66 294 A A S S- 0 0 36 2,-2.5 -2,-0.0 -2,-0.8 3,-0.0 -0.139 86.3 -36.1-125.5-141.2 -43.8 46.4 23.0 67 295 A E S S+ 0 0 176 -2,-0.1 -28,-0.7 -28,-0.1 2,-0.3 0.740 140.3 14.8 -61.4 -23.9 -46.0 43.7 24.8 68 296 A D E S-C 38 0A 46 -30,-0.2 -2,-2.5 -29,-0.1 2,-0.4 -0.861 96.5 -98.2-139.5 166.5 -43.8 41.4 22.7 69 297 A Y E -CD 37 65A 66 -32,-3.1 -32,-2.4 -2,-0.3 2,-0.5 -0.811 34.2-163.9 -90.8 129.9 -40.5 41.9 20.8 70 298 A Y E -CD 36 64A 12 -6,-3.0 -6,-3.0 -2,-0.4 2,-0.5 -0.984 4.1-171.2-120.4 116.7 -40.9 42.5 17.0 71 299 A I E -CD 35 63A 2 -36,-2.6 -36,-3.1 -2,-0.5 2,-0.5 -0.960 12.1-150.0-112.4 118.4 -37.9 42.1 14.8 72 300 A V E +CD 34 62A 0 -10,-2.4 -11,-3.4 -2,-0.5 -10,-1.3 -0.777 28.6 171.9 -89.2 118.3 -38.2 43.2 11.1 73 301 A L E -CD 33 60A 18 -40,-3.3 -40,-2.7 -2,-0.5 -13,-0.2 -0.850 39.8 -81.9-127.1 163.4 -35.9 41.0 8.9 74 302 A E - 0 0 54 -15,-1.2 2,-0.5 -2,-0.3 -42,-0.1 -0.349 50.7-118.8 -60.0 138.1 -35.1 40.4 5.2 75 303 A L - 0 0 36 -44,-0.5 2,-0.7 -17,-0.0 -1,-0.1 -0.754 21.5-158.1 -88.4 130.4 -37.6 37.9 3.7 76 304 A M > - 0 0 23 -2,-0.5 3,-1.0 1,-0.1 52,-0.2 -0.944 2.7-166.5-111.2 106.4 -36.1 34.7 2.4 77 305 A E T 3 S+ 0 0 119 51,-1.3 52,-0.2 -2,-0.7 51,-0.2 0.679 80.9 61.4 -70.0 -19.7 -38.5 33.1 -0.1 78 306 A G T 3 S- 0 0 15 49,-1.9 -1,-0.2 1,-0.2 50,-0.2 0.518 93.6-151.8 -84.0 -6.8 -36.9 29.7 -0.3 79 307 A G E < -F 127 0B 27 -3,-1.0 48,-3.2 48,-0.5 -1,-0.2 -0.278 42.2 -10.6 70.2-152.9 -37.5 29.0 3.4 80 308 A E E > -F 126 0B 69 46,-0.2 3,-0.5 1,-0.1 4,-0.3 -0.501 47.3-134.0 -82.9 148.2 -35.3 26.8 5.6 81 309 A L T >> S+ 0 0 0 44,-2.6 3,-1.6 41,-1.1 4,-0.8 0.789 106.1 70.7 -65.9 -29.4 -32.6 24.3 4.5 82 310 A F H >> S+ 0 0 68 40,-1.1 4,-2.2 43,-0.4 3,-1.2 0.898 91.2 57.0 -51.9 -46.6 -34.3 21.9 6.9 83 311 A D H <4 S+ 0 0 85 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.589 107.6 48.4 -64.1 -15.5 -37.3 21.6 4.4 84 312 A K H <4 S+ 0 0 74 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.552 119.7 36.9 -97.5 -18.0 -34.8 20.5 1.7 85 313 A V H << S+ 0 0 9 -3,-1.2 3,-0.4 -4,-0.8 4,-0.3 0.590 90.3 106.6-112.1 -16.3 -33.1 17.8 3.9 86 314 A V S >< S+ 0 0 59 -4,-2.2 3,-0.7 1,-0.2 110,-0.0 -0.244 73.6 30.9 -64.9 150.8 -36.0 16.4 6.0 87 315 A G T 3 S- 0 0 72 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.840 133.3 -62.4 67.3 41.4 -37.4 12.9 5.3 88 316 A N T 3 S+ 0 0 78 107,-0.4 2,-0.3 -3,-0.4 -1,-0.2 0.611 92.3 153.1 59.7 19.3 -34.1 11.3 4.0 89 317 A K < - 0 0 101 -3,-0.7 2,-0.4 -4,-0.3 -1,-0.2 -0.583 27.2-159.5 -76.9 135.1 -34.0 13.9 1.1 90 318 A R - 0 0 78 -2,-0.3 103,-0.1 -3,-0.1 2,-0.1 -0.968 10.0-132.2-125.9 137.9 -30.5 14.6 -0.1 91 319 A L - 0 0 27 101,-1.3 2,-0.0 -2,-0.4 -6,-0.0 -0.441 37.4 -93.1 -77.9 155.1 -29.1 17.5 -2.1 92 320 A K >> - 0 0 155 -2,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.368 39.5-113.8 -60.7 146.6 -26.8 17.1 -5.2 93 321 A E H 3> S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.851 117.2 54.8 -53.6 -36.7 -23.1 17.2 -4.2 94 322 A A H 3> S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 106.7 49.1 -66.4 -38.7 -22.7 20.5 -6.2 95 323 A T H <> S+ 0 0 12 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.839 108.9 54.0 -69.5 -36.3 -25.6 22.2 -4.3 96 324 A C H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.913 109.8 48.7 -60.1 -47.8 -24.1 21.1 -1.0 97 325 A K H X S+ 0 0 26 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.955 112.1 47.0 -58.0 -55.0 -20.8 22.7 -2.1 98 326 A L H X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.914 118.2 41.0 -52.7 -53.0 -22.5 26.0 -3.0 99 327 A Y H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.883 116.6 49.5 -63.2 -43.2 -24.5 26.2 0.2 100 328 A F H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.886 105.8 56.3 -65.1 -42.7 -21.6 25.1 2.4 101 329 A Y H X S+ 0 0 26 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.890 111.0 44.6 -56.4 -42.9 -19.2 27.6 0.9 102 330 A Q H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.911 110.9 52.7 -70.3 -42.5 -21.6 30.4 1.9 103 331 A M H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.898 111.2 49.0 -57.7 -40.9 -22.1 28.9 5.4 104 332 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.890 110.9 48.5 -65.5 -43.8 -18.3 28.9 5.7 105 333 A L H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 113.4 48.2 -61.0 -44.8 -17.9 32.5 4.6 106 334 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.958 115.0 43.1 -62.6 -52.6 -20.7 33.6 7.0 107 335 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.834 112.0 54.6 -65.0 -32.1 -19.2 31.7 10.0 108 336 A Q H X S+ 0 0 40 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.959 110.1 47.4 -64.6 -44.9 -15.6 32.9 9.1 109 337 A Y H X S+ 0 0 39 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.930 111.1 51.1 -57.2 -52.6 -17.0 36.5 9.1 110 338 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 2,-0.2 -1,-0.2 0.903 114.8 42.0 -50.4 -52.2 -18.7 35.9 12.5 111 339 A H H ><5S+ 0 0 7 -4,-2.5 3,-2.3 3,-0.2 -2,-0.2 0.933 111.0 54.9 -66.3 -46.0 -15.4 34.5 14.0 112 340 A E H 3<5S+ 0 0 133 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.812 112.4 46.9 -51.0 -36.4 -13.3 37.3 12.4 113 341 A N T 3<5S- 0 0 84 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.175 122.3-106.8 -94.4 10.6 -15.8 39.7 14.2 114 342 A G T < 5S+ 0 0 16 -3,-2.3 33,-3.3 1,-0.2 2,-0.4 0.725 76.9 129.7 67.5 31.1 -15.6 37.9 17.6 115 343 A I E < -H 146 0C 12 -5,-3.0 2,-0.5 31,-0.2 -1,-0.2 -0.951 40.3-163.8-117.0 135.2 -19.1 36.3 17.4 116 344 A I E -H 145 0C 0 29,-2.5 29,-2.7 -2,-0.4 62,-0.1 -0.979 7.9-157.3-113.2 123.7 -19.9 32.6 18.0 117 345 A H - 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0 0 41 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.276 19.4-121.1 -66.5 156.2 -17.0 11.9 -3.4 229 457 A E H > S+ 0 0 86 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.859 112.9 57.9 -63.2 -38.3 -14.0 11.0 -1.2 230 458 A K H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.904 106.0 47.2 -59.9 -48.9 -13.1 14.8 -1.0 231 459 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.950 114.3 46.9 -58.3 -52.1 -16.5 15.8 0.5 232 460 A L H X S+ 0 0 23 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.828 107.2 58.1 -59.5 -37.7 -16.3 12.9 3.1 233 461 A D H X S+ 0 0 55 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.899 107.5 47.1 -60.8 -40.8 -12.7 14.0 3.9 234 462 A L H X S+ 0 0 0 -4,-1.7 4,-1.1 -3,-0.3 -2,-0.2 0.878 111.3 50.4 -67.7 -38.6 -13.9 17.5 4.9 235 463 A V H >X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 3,-1.1 0.965 110.2 50.6 -61.2 -52.2 -16.8 16.0 7.0 236 464 A K H 3< S+ 0 0 98 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 109.3 52.5 -52.7 -37.3 -14.2 13.8 8.8 237 465 A K H 3< S+ 0 0 78 -4,-1.5 10,-1.8 1,-0.2 3,-0.3 0.691 113.1 41.5 -76.1 -23.4 -12.0 16.9 9.4 238 466 A L H << S+ 0 0 0 -3,-1.1 2,-0.8 -4,-1.1 -2,-0.2 0.745 105.4 64.2 -93.5 -32.4 -14.9 19.0 11.1 239 467 A L S < S+ 0 0 7 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 -0.280 73.3 134.8 -88.8 46.3 -16.3 16.1 13.1 240 468 A V - 0 0 45 -2,-0.8 6,-0.1 -3,-0.3 -25,-0.1 -0.847 53.2-143.5 -96.8 128.8 -13.0 15.8 15.2 241 469 A V S S+ 0 0 70 -2,-0.4 -1,-0.1 -27,-0.1 -26,-0.1 0.884 83.7 75.1 -62.2 -45.2 -13.6 15.4 19.0 242 470 A D S >> S- 0 0 91 1,-0.2 4,-1.7 2,-0.0 3,-0.8 -0.610 70.7-155.7 -72.3 114.6 -10.5 17.5 20.1 243 471 A P T 34 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 -61,-0.1 0.786 92.6 57.8 -62.9 -25.5 -11.5 21.3 19.4 244 472 A K T 34 S+ 0 0 109 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.787 113.9 38.1 -73.0 -27.6 -7.8 22.3 19.1 245 473 A A T <4 S+ 0 0 60 -3,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.634 93.8 107.9 -92.2 -29.1 -7.3 19.8 16.3 246 474 A R S < S- 0 0 23 -4,-1.7 -8,-0.2 -6,-0.1 2,-0.1 -0.190 81.8 -95.4 -53.3 146.2 -10.8 20.3 14.6 247 475 A F - 0 0 31 -10,-1.8 2,-0.1 -13,-0.1 -1,-0.1 -0.399 35.9-142.8 -65.4 138.5 -10.8 22.3 11.2 248 476 A T > - 0 0 46 -2,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.444 31.7 -99.2 -90.2 174.1 -11.4 26.0 11.4 249 477 A T H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.900 126.3 51.6 -63.2 -38.6 -13.5 27.8 8.8 250 478 A E H > S+ 0 0 67 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.889 111.1 47.5 -63.3 -42.6 -10.2 29.0 7.1 251 479 A E H 4 S+ 0 0 65 2,-0.2 4,-0.3 1,-0.2 3,-0.2 0.891 113.0 48.0 -66.1 -42.3 -8.9 25.4 7.0 252 480 A A H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 6,-0.3 0.960 109.5 53.9 -62.0 -48.9 -12.3 24.2 5.6 253 481 A L H 3< S+ 0 0 22 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.704 109.8 47.9 -58.5 -25.6 -12.2 27.0 3.0 254 482 A R T 3< S+ 0 0 165 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.442 86.9 116.9 -93.4 -4.7 -8.7 25.9 1.8 255 483 A H S X> S- 0 0 5 -3,-2.1 3,-2.2 -4,-0.3 4,-0.6 -0.416 79.1-116.1 -64.6 137.5 -9.8 22.2 1.6 256 484 A P G >4 S+ 0 0 78 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.748 112.3 66.4 -42.3 -33.5 -9.6 20.6 -1.9 257 485 A W G 34 S+ 0 0 3 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.825 104.3 43.3 -63.1 -30.3 -13.4 20.2 -1.9 258 486 A L G <4 S+ 0 0 0 -3,-2.2 2,-1.8 -6,-0.3 -1,-0.3 0.472 85.0 97.5 -95.8 0.0 -13.9 23.9 -1.9 259 487 A Q << + 0 0 106 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.1 -0.506 54.0 128.4 -84.7 64.8 -11.2 24.5 -4.6 260 488 A D > - 0 0 47 -2,-1.8 4,-2.3 1,-0.1 5,-0.1 -0.925 41.2-171.5-131.0 100.0 -13.9 24.7 -7.3 261 489 A E H > S+ 0 0 67 -2,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.774 87.4 57.1 -63.8 -30.4 -13.8 27.8 -9.6 262 490 A D H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 109.2 43.1 -65.3 -54.5 -17.2 26.8 -11.1 263 491 A M H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.922 114.4 52.0 -57.6 -48.6 -19.1 26.8 -7.8 264 492 A K H X S+ 0 0 66 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.831 109.8 48.8 -59.2 -35.6 -17.2 30.1 -6.8 265 493 A R H X S+ 0 0 128 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.921 109.0 53.0 -69.5 -42.5 -18.3 31.8 -10.1 266 494 A K H X S+ 0 0 31 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.877 110.4 47.9 -59.9 -40.4 -22.0 30.7 -9.6 267 495 A F H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.957 112.2 47.5 -65.8 -49.0 -21.9 32.3 -6.1 268 496 A Q H X S+ 0 0 104 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.857 112.1 52.9 -57.9 -37.5 -20.3 35.6 -7.5 269 497 A D H X S+ 0 0 100 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.883 110.7 44.5 -61.2 -50.3 -23.1 35.5 -10.2 270 498 A L H X S+ 0 0 41 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.844 112.7 54.9 -64.4 -36.9 -25.9 35.1 -7.6 271 499 A L H X S+ 0 0 25 -4,-2.4 4,-2.1 2,-0.2 3,-0.5 0.969 110.6 41.9 -62.2 -57.7 -24.3 37.9 -5.6 272 500 A S H X S+ 0 0 74 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.790 110.9 58.0 -61.7 -31.4 -24.1 40.5 -8.4 273 501 A E H < S+ 0 0 73 -4,-1.7 4,-0.2 2,-0.2 -1,-0.2 0.878 111.5 42.1 -64.9 -38.6 -27.7 39.5 -9.5 274 502 A E H >< S+ 0 0 78 -4,-1.6 3,-0.7 -3,-0.5 4,-0.4 0.860 115.3 50.7 -73.1 -40.1 -28.9 40.4 -6.0 275 503 A N H >X S+ 0 0 91 -4,-2.1 4,-1.6 1,-0.2 3,-0.9 0.740 85.6 86.9 -70.1 -29.1 -26.7 43.6 -5.9 276 504 A E T 3< S+ 0 0 73 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.697 89.2 50.7 -45.2 -32.2 -28.0 44.9 -9.3 277 505 A S T <4 S+ 0 0 99 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.2 0.882 112.5 43.8 -73.9 -45.3 -30.9 46.7 -7.6 278 506 A T T <4 S+ 0 0 90 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.725 83.2 129.8 -71.9 -29.3 -28.8 48.5 -4.9 279 507 A A < - 0 0 78 -4,-1.6 3,-0.1 1,-0.1 -3,-0.0 -0.080 41.1-161.8 -42.9 107.2 -26.0 49.6 -7.4 280 508 A L - 0 0 97 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 -0.665 40.3 -83.2 -86.5 142.1 -25.1 53.4 -7.1 281 509 A P - 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.058 50.4-119.1 -51.9 148.6 -23.2 54.8 -10.2 282 510 A Q - 0 0 176 -3,-0.1 2,-0.7 1,-0.0 -3,-0.0 -0.710 5.8-124.8-100.3 145.9 -19.4 54.3 -10.3 283 511 A V 0 0 148 -2,-0.3 -1,-0.0 1,-0.0 0, 0.0 -0.775 360.0 360.0 -83.6 107.8 -16.5 56.7 -10.4 284 512 A L 0 0 150 -2,-0.7 -1,-0.0 0, 0.0 -2,-0.0 -0.708 360.0 360.0 -80.7 360.0 -14.5 55.7 -13.5