==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAR-11 2YCF . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.T.LOUNTOS,A.G.JOBSON,J.E.TROPEA,C.R.SELF,Y.POMMIER,R.H.SHO . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16706.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 68.2 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 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 2 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 . 0 2 1 0 1 2 0 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 1 210 A S 0 0 148 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.9 61.3 26.5 4.8 2 211 A V - 0 0 123 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.908 360.0 -97.4-124.8 160.5 63.1 24.4 2.2 3 212 A Y - 0 0 66 -2,-0.3 5,-0.0 1,-0.1 10,-0.0 -0.492 56.9 -91.6 -67.8 146.2 62.5 21.1 0.5 4 213 A P >> - 0 0 26 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.281 30.7-119.1 -64.3 148.0 64.4 18.3 2.3 5 214 A K H 3> S+ 0 0 172 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.855 111.4 56.3 -55.7 -39.7 67.8 17.5 0.9 6 215 A A H 3> S+ 0 0 57 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.846 110.0 45.8 -65.0 -31.9 66.9 13.8 -0.1 7 216 A L H X> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 3,-1.0 0.933 112.0 50.3 -73.9 -48.4 64.0 15.1 -2.2 8 217 A R H 3< S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.823 102.2 64.3 -56.6 -33.1 66.1 17.8 -3.9 9 218 A D H 3< S+ 0 0 123 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.852 117.8 23.7 -60.4 -34.5 68.7 15.1 -4.6 10 219 A E H << S+ 0 0 74 -3,-1.0 21,-2.5 -4,-0.7 22,-0.5 0.613 123.6 42.2-107.7 -19.4 66.3 13.3 -6.9 11 220 A Y E < -A 30 0A 4 -4,-2.2 2,-0.6 19,-0.2 19,-0.2 -0.970 58.0-142.0-135.4 148.2 63.8 15.9 -8.0 12 221 A I E -A 29 0A 87 17,-2.4 17,-2.3 -2,-0.3 2,-0.2 -0.961 32.8-136.9-103.9 120.2 63.5 19.5 -9.2 13 222 A M E +A 28 0A 33 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.552 29.4 169.4 -81.2 140.3 60.3 21.0 -7.7 14 223 A S E - 0 0 46 13,-3.2 -1,-0.1 1,-0.3 14,-0.1 -0.183 36.9 -18.7-122.5-144.3 58.1 23.2 -9.9 15 224 A K E - 0 0 128 11,-0.1 12,-3.2 1,-0.1 2,-0.3 -0.116 63.2-100.9 -70.4 158.3 54.6 24.9 -9.7 16 225 A T E -A 26 0A 65 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.646 32.9-177.6 -76.2 132.5 51.6 24.1 -7.5 17 226 A L E - 0 0 73 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.694 61.9 -25.4-101.2 -29.6 49.0 22.0 -9.4 18 227 A G E -A 25 0A 22 7,-1.4 7,-2.5 66,-0.1 -1,-0.4 -0.956 57.2-140.6-169.8 176.5 46.4 21.8 -6.7 19 228 A S E -A 24 0A 90 5,-0.3 5,-0.3 -2,-0.3 2,-0.2 -0.996 8.6-173.0-155.9 154.7 45.7 21.9 -2.9 20 229 A G - 0 0 45 3,-2.8 -2,-0.0 -2,-0.3 5,-0.0 -0.633 49.2 -87.3-128.4-169.1 43.7 20.3 -0.1 21 230 A A S S+ 0 0 121 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.804 126.5 47.7 -71.9 -30.4 43.2 20.9 3.6 22 231 A C S S- 0 0 65 1,-0.1 21,-2.5 20,-0.0 2,-0.3 0.647 127.8 -64.9 -87.4 -19.3 46.3 18.8 4.5 23 232 A G E - B 0 42A 22 19,-0.2 -3,-2.8 2,-0.0 2,-0.3 -0.928 59.6 -72.0 168.7-144.2 48.7 20.4 2.0 24 233 A E E -AB 19 41A 69 17,-0.8 17,-3.3 -2,-0.3 2,-0.5 -0.915 25.1-118.7-143.8 170.6 49.2 20.8 -1.7 25 234 A V E -AB 18 40A 35 -7,-2.5 -8,-3.3 -2,-0.3 -7,-1.4 -0.968 30.8-165.5-114.7 126.4 50.3 18.9 -4.9 26 235 A K E -AB 16 39A 23 13,-3.0 13,-2.8 -2,-0.5 2,-0.3 -0.860 21.2-123.7-111.3 146.5 53.4 20.1 -6.8 27 236 A L E + B 0 38A 14 -12,-3.2 -13,-3.2 -2,-0.4 2,-0.3 -0.638 40.2 172.4 -73.4 142.4 54.7 19.4 -10.2 28 237 A A E -AB 13 37A 0 9,-2.1 9,-2.6 -2,-0.3 2,-0.5 -0.966 27.6-132.2-147.2 163.1 58.2 18.1 -10.1 29 238 A F E -AB 12 36A 68 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.5 -0.981 18.9-131.4-119.5 128.7 60.7 16.6 -12.5 30 239 A E E >> -AB 11 35A 30 5,-2.8 4,-2.4 -2,-0.5 5,-0.5 -0.666 15.3-147.7 -74.9 124.4 62.6 13.4 -11.8 31 240 A R T 45S+ 0 0 122 -21,-2.5 -1,-0.2 -2,-0.5 -20,-0.1 0.902 92.2 57.5 -61.7 -42.3 66.3 14.2 -12.5 32 241 A K T 45S+ 0 0 189 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.842 125.9 17.3 -54.7 -40.1 67.2 10.6 -13.7 33 242 A T T 45S- 0 0 66 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.554 90.4-131.0-112.4 -16.9 64.5 10.6 -16.4 34 243 A C T <5 + 0 0 104 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.716 64.2 137.5 60.7 24.8 63.6 14.3 -16.9 35 244 A K E < -B 30 0A 144 -5,-0.5 -5,-2.8 1,-0.1 -1,-0.3 -0.713 57.8-103.7-102.8 153.9 60.0 13.2 -16.7 36 245 A K E +B 29 0A 109 -2,-0.3 44,-0.5 -7,-0.2 2,-0.3 -0.459 39.0 172.5 -78.5 141.7 57.2 14.8 -14.8 37 246 A V E -BC 28 79A 2 -9,-2.6 -9,-2.1 -2,-0.2 2,-0.4 -0.885 28.4-121.6-133.9 168.0 55.8 13.5 -11.5 38 247 A A E -BC 27 78A 4 40,-2.8 40,-3.1 -2,-0.3 2,-0.5 -0.928 19.3-157.2-110.3 141.6 53.4 14.9 -8.9 39 248 A I E -BC 26 77A 0 -13,-2.8 -13,-3.0 -2,-0.4 2,-0.6 -0.969 2.3-156.5-122.3 116.1 54.4 15.4 -5.3 40 249 A K E -BC 25 76A 38 36,-2.9 36,-2.9 -2,-0.5 2,-0.5 -0.804 10.5-157.3 -88.9 122.5 51.7 15.5 -2.6 41 250 A I E -BC 24 75A 16 -17,-3.3 -17,-0.8 -2,-0.6 2,-0.6 -0.902 5.7-166.8-103.1 127.2 52.9 17.4 0.4 42 251 A I E -BC 23 74A 23 32,-2.6 32,-2.7 -2,-0.5 -19,-0.2 -0.954 20.3-131.7-116.8 112.7 51.2 16.6 3.7 43 252 A S 0 0 79 -21,-2.5 30,-0.1 -2,-0.6 29,-0.0 -0.344 360.0 360.0 -60.5 132.8 51.9 19.2 6.5 44 253 A K 0 0 130 28,-0.4 -1,-0.1 -2,-0.1 -22,-0.0 -0.778 360.0 360.0 -85.1 360.0 52.9 17.6 9.8 45 ! 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 46 269 A N > 0 0 116 0, 0.0 4,-1.9 0, 0.0 103,-0.1 0.000 360.0 360.0 360.0 100.3 47.7 7.9 8.9 47 270 A V H > + 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 360.0 58.0 -69.9 -40.0 50.4 8.5 6.3 48 271 A E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.924 110.9 42.3 -57.2 -45.8 52.5 5.4 7.2 49 272 A T H > S+ 0 0 47 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.884 111.0 57.3 -68.1 -37.6 49.6 3.1 6.6 50 273 A E H X S+ 0 0 13 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.944 108.2 46.5 -55.9 -49.1 48.6 5.0 3.5 51 274 A I H X S+ 0 0 3 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.920 111.3 51.7 -60.4 -44.3 52.1 4.4 2.0 52 275 A E H X S+ 0 0 117 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.915 113.0 45.4 -59.1 -45.1 51.9 0.7 3.0 53 276 A I H >X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 3,-0.6 0.947 111.8 50.9 -60.9 -51.1 48.6 0.4 1.2 54 277 A L H 3< S+ 0 0 9 -4,-3.2 11,-0.3 1,-0.2 -2,-0.2 0.886 110.1 50.8 -58.1 -39.0 49.8 2.4 -1.9 55 278 A K H 3< S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.801 112.2 46.4 -67.1 -30.7 52.9 0.1 -2.2 56 279 A K H << S+ 0 0 115 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.797 95.1 86.7 -84.6 -31.2 50.9 -3.1 -2.0 57 280 A L < - 0 0 14 -4,-1.9 2,-0.2 -5,-0.1 58,-0.0 -0.423 48.8-178.6 -78.8 147.0 48.1 -2.3 -4.5 58 281 A N + 0 0 121 -2,-0.1 5,-0.1 6,-0.1 6,-0.1 -0.716 27.9 125.6-147.4 88.8 48.4 -2.9 -8.2 59 282 A H > - 0 0 29 3,-0.4 3,-1.8 -2,-0.2 52,-0.0 -0.995 60.0-125.4-145.4 142.8 45.5 -1.8 -10.4 60 283 A P T 3 S+ 0 0 43 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.685 110.9 51.6 -64.8 -15.7 45.3 0.5 -13.5 61 284 A C T 3 S+ 0 0 0 81,-0.1 82,-2.6 46,-0.1 2,-0.4 0.139 97.8 76.7-106.7 19.3 42.7 2.6 -11.8 62 285 A I B < S-e 143 0B 3 -3,-1.8 -3,-0.4 80,-0.3 82,-0.2 -0.998 87.7-109.5-130.0 131.3 44.5 3.2 -8.5 63 286 A I - 0 0 7 80,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.178 29.7-137.5 -59.0 145.9 47.4 5.7 -8.2 64 287 A K - 0 0 78 -4,-0.1 15,-1.2 -6,-0.1 2,-0.4 -0.866 9.2-130.5-106.7 142.9 50.9 4.3 -7.8 65 288 A I E +D 78 0A 27 -2,-0.4 13,-0.3 -11,-0.3 3,-0.1 -0.740 21.2 179.9 -87.8 136.9 53.5 5.7 -5.4 66 289 A K E - 0 0 111 11,-3.6 2,-0.3 1,-0.4 12,-0.2 0.675 65.8 -9.2-104.0 -29.2 57.0 6.3 -6.8 67 290 A N E -D 77 0A 41 10,-1.5 10,-2.7 2,-0.0 -1,-0.4 -0.981 53.8-150.9-165.1 164.1 58.7 7.7 -3.7 68 291 A F E -D 76 0A 49 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.987 5.2-171.1-149.6 132.7 58.2 8.8 -0.1 69 292 A F E -D 75 0A 24 6,-2.5 6,-2.7 -2,-0.3 2,-0.8 -0.986 7.6-161.9-129.9 124.0 60.1 11.3 2.1 70 293 A D E +D 74 0A 81 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.862 44.6 119.5-103.7 96.7 59.4 11.7 5.8 71 294 A A S S- 0 0 34 2,-2.4 -68,-0.0 -2,-0.8 -2,-0.0 -0.156 85.0 -35.0-128.7-138.6 60.8 15.0 6.8 72 295 A E S S+ 0 0 159 -2,-0.1 -28,-0.4 -29,-0.0 2,-0.3 0.901 139.3 11.7 -59.5 -40.1 59.5 18.3 8.3 73 296 A D S S- 0 0 34 -30,-0.1 -2,-2.4 -4,-0.0 2,-0.4 -0.755 96.9 -98.8-118.4 173.9 56.4 17.5 6.2 74 297 A Y E -CD 42 70A 50 -32,-2.7 -32,-2.6 -2,-0.3 2,-0.5 -0.810 32.0-162.1 -91.1 142.0 55.5 14.3 4.3 75 298 A Y E -CD 41 69A 8 -6,-2.7 -6,-2.5 -2,-0.4 2,-0.6 -0.980 5.1-171.8-126.5 118.0 56.3 14.1 0.6 76 299 A I E -CD 40 68A 8 -36,-2.9 -36,-2.9 -2,-0.5 2,-0.5 -0.948 11.2-153.3-111.1 117.8 54.6 11.4 -1.5 77 300 A V E +CD 39 67A 0 -10,-2.7 -11,-3.6 -2,-0.6 -10,-1.5 -0.805 26.5 163.6 -92.6 127.4 55.8 11.2 -5.1 78 301 A L E -CD 38 65A 16 -40,-3.1 -40,-2.8 -2,-0.5 -13,-0.2 -0.873 44.5 -75.4-135.7 167.2 53.3 9.8 -7.5 79 302 A E E -C 37 0A 43 -15,-1.2 2,-0.6 -2,-0.3 -42,-0.2 -0.361 54.0-112.0 -59.1 143.2 52.6 9.6 -11.2 80 303 A L - 0 0 39 -44,-0.5 2,-0.9 -52,-0.1 -1,-0.1 -0.729 21.3-152.3 -81.4 122.7 51.4 12.9 -12.6 81 304 A M > - 0 0 16 -2,-0.6 3,-2.0 1,-0.1 51,-0.2 -0.826 7.5-163.9 -97.7 101.0 47.7 12.7 -13.8 82 305 A E T 3 S+ 0 0 113 -2,-0.9 51,-0.2 51,-0.8 52,-0.2 0.668 82.8 59.8 -69.1 -17.7 47.7 15.3 -16.5 83 306 A G T 3 S- 0 0 11 49,-2.2 -1,-0.3 1,-0.2 50,-0.2 0.548 95.4-152.3 -80.9 -10.8 43.9 15.7 -16.6 84 307 A G E < -F 132 0B 30 -3,-2.0 48,-3.3 48,-0.6 -1,-0.2 -0.297 42.4 -11.5 70.8-154.4 43.8 16.8 -12.9 85 308 A E E > -F 131 0B 47 46,-0.2 3,-1.2 1,-0.1 4,-0.4 -0.540 48.0-134.8 -86.5 143.2 40.8 16.2 -10.6 86 309 A L T >> S+ 0 0 0 44,-3.1 3,-2.1 41,-0.9 4,-0.8 0.848 101.8 76.0 -56.1 -33.4 37.3 15.1 -11.6 87 310 A F H >> S+ 0 0 70 40,-1.2 4,-1.1 43,-0.3 3,-0.9 0.823 88.8 55.3 -46.5 -40.1 36.1 17.9 -9.3 88 311 A D H <4 S+ 0 0 83 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.672 103.3 55.5 -75.7 -15.5 37.0 20.5 -11.9 89 312 A K H <4 S+ 0 0 72 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.625 116.9 34.2 -85.3 -16.5 34.8 18.8 -14.5 90 313 A V H << S+ 0 0 10 -3,-0.9 3,-0.5 -4,-0.8 -2,-0.2 0.444 90.0 109.0-121.0 -5.4 31.7 18.9 -12.3 91 314 A V S >< S+ 0 0 60 -4,-1.1 3,-1.3 1,-0.2 110,-0.0 -0.345 75.3 28.5 -73.6 154.2 32.0 22.1 -10.4 92 315 A G T 3 S- 0 0 66 1,-0.3 -1,-0.2 -2,-0.0 3,-0.1 0.858 133.0 -65.8 63.1 39.2 29.7 25.1 -11.2 93 316 A N T 3 S+ 0 0 123 -3,-0.5 -1,-0.3 107,-0.4 -2,-0.2 0.537 91.1 155.0 60.7 10.4 26.9 22.9 -12.4 94 317 A K < - 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0 0 59 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.514 18.5-139.5 -77.6 140.9 24.8 17.2 -5.3 203 426 A P S S+ 0 0 0 0, 0.0 20,-2.6 0, 0.0 2,-0.5 0.832 94.4 38.3 -65.0 -32.1 21.9 14.9 -4.1 204 427 A F S S+ 0 0 22 18,-0.2 2,-0.3 -12,-0.0 18,-0.1 -0.982 78.1 135.7-127.0 120.2 22.2 16.2 -0.5 205 428 A S - 0 0 38 -2,-0.5 11,-0.0 2,-0.1 0, 0.0 -0.984 57.9-124.4-159.2 154.2 22.8 19.9 0.1 206 429 A E S > S+ 0 0 139 -2,-0.3 3,-1.0 4,-0.1 2,-0.2 0.519 70.3 126.4 -79.2 -3.8 21.6 22.7 2.4 207 430 A H T 3 S- 0 0 127 1,-0.3 -2,-0.1 3,-0.0 3,-0.1 -0.351 86.7 -20.5 -65.1 123.6 20.9 24.8 -0.8 208 431 A R T 3 S+ 0 0 226 -2,-0.2 2,-0.3 1,-0.1 -1,-0.3 0.887 112.0 106.8 44.0 56.1 17.3 26.2 -0.9 209 432 A T < - 0 0 61 -3,-1.0 -1,-0.1 1,-0.1 0, 0.0 -0.979 59.1-153.1-155.1 153.2 15.9 23.7 1.6 210 433 A Q S S+ 0 0 207 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.450 72.0 99.2-103.7 -5.9 14.7 23.6 5.2 211 434 A V S S- 0 0 76 1,-0.1 -2,-0.0 2,-0.0 5,-0.0 -0.691 82.1-115.4 -80.0 131.1 15.5 19.9 5.7 212 435 A S > - 0 0 52 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.316 18.7-116.9 -66.5 154.0 18.8 19.5 7.5 213 436 A L H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 116.2 53.5 -54.7 -47.9 21.7 17.8 5.7 214 437 A K H > S+ 0 0 143 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.882 109.4 47.3 -56.7 -41.6 21.7 15.0 8.2 215 438 A D H > S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 6,-0.4 0.863 108.5 54.3 -71.8 -35.2 18.0 14.3 7.8 216 439 A Q H X>S+ 0 0 12 -4,-2.2 5,-1.2 2,-0.2 4,-0.8 0.950 114.9 41.9 -58.7 -47.4 18.2 14.3 4.0 217 440 A I H ><5S+ 0 0 67 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.946 114.4 46.7 -69.1 -51.6 21.0 11.7 4.2 218 441 A T H 3<5S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.790 116.7 46.5 -67.4 -24.5 19.6 9.4 6.9 219 442 A S H 3<5S- 0 0 54 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.616 104.8-131.5 -85.6 -15.2 16.2 9.5 5.2 220 443 A G T <<5 + 0 0 13 -3,-0.9 2,-1.6 -4,-0.8 -3,-0.2 0.578 56.4 147.0 71.8 11.7 17.8 8.8 1.7 221 444 A K < - 0 0 153 -5,-1.2 -1,-0.2 -6,-0.4 -2,-0.1 -0.596 27.1-173.0 -86.3 82.7 15.7 11.7 0.3 222 445 A Y - 0 0 61 -2,-1.6 2,-0.8 22,-0.1 -18,-0.2 -0.305 34.7 -97.9 -67.6 158.3 17.9 13.1 -2.4 223 446 A N - 0 0 74 -20,-2.6 2,-0.7 -21,-0.2 -1,-0.1 -0.714 40.7-166.8 -81.7 108.4 17.0 16.3 -4.2 224 447 A F - 0 0 83 -2,-0.8 -1,-0.0 4,-0.0 -3,-0.0 -0.887 8.8-174.2-103.7 111.1 15.4 15.3 -7.5 225 448 A I >> - 0 0 65 -2,-0.7 4,-1.6 1,-0.1 3,-1.1 -0.895 12.3-157.1-103.2 101.6 15.0 18.2 -10.0 226 449 A P H 3> S+ 0 0 85 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.789 86.7 55.6 -48.8 -41.9 13.1 16.6 -12.9 227 450 A E H 34 S+ 0 0 161 1,-0.2 4,-0.3 2,-0.2 -2,-0.0 0.814 107.4 48.6 -67.8 -34.3 14.3 19.1 -15.6 228 451 A V H X4 S+ 0 0 35 -3,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.905 117.5 42.6 -66.7 -42.5 17.9 18.5 -14.9 229 452 A W H >< S+ 0 0 8 -4,-1.6 3,-2.3 1,-0.2 -2,-0.2 0.610 86.8 90.5 -82.1 -15.5 17.4 14.7 -15.1 230 453 A A T 3< S+ 0 0 79 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.803 89.8 49.1 -53.7 -33.3 15.1 14.6 -18.1 231 454 A E T < S+ 0 0 141 -3,-0.5 2,-0.3 -4,-0.3 -1,-0.3 0.500 96.2 88.6 -85.2 -7.7 18.1 14.2 -20.5 232 455 A V S < S- 0 0 20 -3,-2.3 -33,-0.0 1,-0.1 -34,-0.0 -0.724 86.3-105.1 -93.0 141.7 19.6 11.4 -18.4 233 456 A S > - 0 0 41 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.244 17.3-123.8 -63.1 152.3 18.6 7.8 -19.1 234 457 A E H > S+ 0 0 181 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.858 111.7 57.3 -54.6 -43.6 16.3 5.8 -16.9 235 458 A K H > S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.871 104.9 50.0 -60.8 -40.5 19.0 3.1 -16.5 236 459 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 112.2 46.2 -66.1 -47.2 21.6 5.6 -15.1 237 460 A L H X S+ 0 0 23 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.885 108.0 58.7 -61.0 -38.0 19.1 7.0 -12.5 238 461 A D H X S+ 0 0 62 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.906 106.3 47.5 -59.1 -45.6 18.2 3.4 -11.6 239 462 A L H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 3,-0.5 0.926 109.1 53.6 -61.2 -47.0 21.8 2.6 -10.7 240 463 A V H >X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.7 0.926 107.4 52.9 -50.9 -46.7 22.1 5.8 -8.6 241 464 A K H 3< S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.828 106.5 51.6 -60.2 -33.5 18.9 4.7 -6.7 242 465 A K H 3< S+ 0 0 72 -4,-1.3 10,-2.4 -3,-0.5 3,-0.3 0.692 112.5 46.1 -78.8 -20.4 20.4 1.3 -5.9 243 466 A L H << S+ 0 0 0 -4,-1.3 2,-0.6 -3,-0.7 -52,-0.2 0.775 105.1 59.9 -89.1 -32.0 23.6 2.9 -4.5 244 467 A L S < S+ 0 0 9 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.2 -0.272 74.0 136.2 -93.2 46.1 21.8 5.6 -2.4 245 468 A V - 0 0 42 -2,-0.6 6,-0.2 -3,-0.3 -25,-0.1 -0.834 51.5-144.5 -95.1 130.0 20.0 2.9 -0.3 246 469 A V S S+ 0 0 68 -2,-0.5 -1,-0.1 -27,-0.1 -26,-0.1 0.868 82.2 77.1 -67.5 -39.1 20.0 3.8 3.4 247 470 A D S >> S- 0 0 83 1,-0.2 4,-1.9 2,-0.0 3,-1.0 -0.623 72.5-152.8 -74.8 113.3 20.3 0.2 4.7 248 471 A P T 34 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.777 93.5 55.0 -64.2 -22.9 23.9 -0.8 4.2 249 472 A K T 34 S+ 0 0 101 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.777 112.8 41.9 -78.0 -26.1 23.0 -4.5 3.8 250 473 A A T <4 S+ 0 0 59 -3,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.705 91.8 108.9 -87.0 -24.6 20.6 -3.8 1.0 251 474 A R S < S- 0 0 25 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.165 82.3 -95.7 -54.7 142.4 22.8 -1.3 -0.8 252 475 A F - 0 0 36 -10,-2.4 2,-0.1 -13,-0.1 -1,-0.1 -0.352 36.1-141.8 -57.3 136.0 24.4 -2.3 -4.1 253 476 A T > - 0 0 54 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.426 31.6 -99.9 -82.5 172.3 27.9 -3.7 -3.8 254 477 A T H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 125.4 54.4 -63.3 -35.5 30.5 -2.9 -6.5 255 478 A E H > S+ 0 0 67 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.906 109.4 46.3 -62.5 -43.6 29.8 -6.4 -8.1 256 479 A E H 4 S+ 0 0 63 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.883 111.9 51.3 -65.8 -42.7 26.0 -5.7 -8.3 257 480 A A H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 6,-0.3 0.916 107.9 52.3 -59.4 -43.6 26.7 -2.2 -9.8 258 481 A L H 3< S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.785 109.7 49.8 -66.9 -24.9 29.0 -3.7 -12.4 259 482 A R T 3< S+ 0 0 169 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.486 86.6 117.6 -85.8 -6.4 26.2 -6.2 -13.4 260 483 A H S X S- 0 0 6 -3,-1.3 3,-1.9 -4,-0.4 4,-0.5 -0.314 78.3-115.9 -66.5 145.4 23.6 -3.4 -13.7 261 484 A P G > S+ 0 0 67 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.798 111.9 65.5 -50.6 -33.1 22.1 -2.8 -17.1 262 485 A W G 3 S+ 0 0 3 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.814 103.8 45.0 -61.4 -29.8 23.6 0.7 -17.3 263 486 A L G < S+ 0 0 0 -3,-1.9 2,-1.9 -6,-0.3 -1,-0.3 0.427 82.3 98.9 -99.3 3.9 27.1 -0.8 -17.4 264 487 A Q < + 0 0 109 -3,-1.2 2,-0.5 -4,-0.5 -1,-0.1 -0.571 52.6 132.8 -86.4 73.4 26.4 -3.5 -20.0 265 488 A D > - 0 0 46 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.923 39.9-171.5-134.5 99.7 27.8 -1.3 -22.7 266 489 A E H > S+ 0 0 129 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 0.833 87.9 55.7 -65.9 -33.3 30.3 -3.0 -25.1 267 490 A D H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 109.3 46.2 -59.7 -50.2 31.3 0.3 -26.7 268 491 A M H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 113.1 49.6 -58.6 -46.9 32.3 1.8 -23.3 269 492 A K H X S+ 0 0 41 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.851 109.5 51.8 -65.0 -36.5 34.2 -1.3 -22.3 270 493 A R H X S+ 0 0 120 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.934 108.4 51.5 -61.4 -47.4 36.1 -1.4 -25.7 271 494 A K H X S+ 0 0 85 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 109.6 50.5 -57.4 -43.4 37.1 2.3 -25.1 272 495 A F H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.945 110.9 47.4 -59.0 -50.1 38.4 1.4 -21.7 273 496 A Q H X S+ 0 0 102 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.890 111.5 51.4 -60.5 -41.4 40.5 -1.5 -23.0 274 497 A D H X S+ 0 0 87 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.919 110.2 49.6 -57.5 -46.9 41.9 0.7 -25.9 275 498 A L H X S+ 0 0 13 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.886 109.4 52.6 -62.5 -41.2 42.8 3.4 -23.3 276 499 A L H X S+ 0 0 26 -4,-2.4 4,-1.4 2,-0.2 3,-0.4 0.965 110.8 43.9 -56.6 -58.6 44.6 0.7 -21.1 277 500 A S H < S+ 0 0 81 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.868 110.9 56.8 -60.2 -38.0 46.8 -0.7 -23.9 278 501 A E H < S+ 0 0 152 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.890 106.2 50.7 -54.8 -44.6 47.6 2.8 -25.1 279 502 A E H < S+ 0 0 70 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.848 94.6 91.3 -61.8 -38.5 48.9 3.7 -21.6 280 503 A N < - 0 0 84 -4,-1.4 2,-0.6 -3,-0.1 -4,-0.0 -0.361 55.1-161.1 -81.3 138.2 51.3 0.7 -21.2 281 504 A E + 0 0 180 1,-0.1 -1,-0.1 -2,-0.1 -3,-0.1 -0.783 27.6 177.7-110.9 84.5 55.0 0.5 -22.2 282 505 A S - 0 0 92 -2,-0.6 -1,-0.1 -5,-0.2 -2,-0.0 0.686 18.4-142.7 -76.2 -35.0 55.2 -3.3 -22.2 283 506 A T - 0 0 118 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.223 48.2 -48.4 71.6 153.3 58.6 -4.7 -23.3 284 507 A A - 0 0 102 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.077 55.7-156.2 -56.1 148.3 59.0 -7.8 -25.4 285 508 A L - 0 0 137 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.939 25.9 -99.1-123.7 148.4 57.0 -11.0 -24.6 286 509 A P 0 0 129 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.491 360.0 360.0 -67.2 142.6 57.7 -14.7 -25.4 287 510 A Q 0 0 243 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.448 360.0 360.0 61.4 360.0 55.6 -15.9 -28.5