==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-SEP-09 2WTI . COMPND 2 MOLECULE: CHECKPOINT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HILTON,S.NAUD,J.J.CALDWELL,K.BOXALL,S.BURNS,V.E.ANDERSON, . 286 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 69.9 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 . 39 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 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 . 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 33.9 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 1 1 3 2 0 0 1 0 0 1 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 0 2 2 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 0 146 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.3 -62.0 27.1 -20.6 2 211 A V - 0 0 115 1,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.760 360.0 -94.8-121.2 170.2 -63.7 24.7 -18.1 3 212 A Y - 0 0 66 -2,-0.2 -1,-0.0 1,-0.1 2,-0.0 -0.516 51.5 -91.7 -80.1 152.0 -63.2 21.2 -16.7 4 213 A P > - 0 0 25 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.325 31.0-122.8 -65.1 146.5 -65.1 18.3 -18.3 5 214 A K H > S+ 0 0 168 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.858 110.1 56.7 -60.9 -40.6 -68.5 17.4 -16.7 6 215 A A H > S+ 0 0 58 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.872 111.3 44.9 -60.8 -35.5 -67.6 13.8 -15.9 7 216 A L H >> S+ 0 0 0 -3,-0.5 4,-2.1 1,-0.2 3,-1.5 0.957 110.9 50.9 -71.0 -52.2 -64.6 15.1 -13.9 8 217 A R H 3< S+ 0 0 134 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.780 102.4 65.8 -54.6 -27.9 -66.6 17.9 -12.1 9 218 A D H 3< S+ 0 0 118 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.806 115.5 23.2 -67.7 -30.6 -69.1 15.2 -11.2 10 219 A E H << S+ 0 0 74 -3,-1.5 18,-2.7 -4,-0.6 19,-0.5 0.607 123.7 44.8-109.3 -19.6 -66.7 13.3 -9.0 11 220 A Y E < -A 27 0A 6 -4,-2.1 2,-0.6 16,-0.2 16,-0.2 -0.958 60.5-142.1-134.2 146.7 -64.1 15.9 -8.0 12 221 A I E -A 26 0A 84 14,-2.5 14,-2.4 -2,-0.3 2,-0.1 -0.947 33.1-138.6-102.7 115.7 -63.9 19.5 -6.8 13 222 A M E +A 25 0A 32 -2,-0.6 12,-0.2 12,-0.2 2,-0.2 -0.366 29.8 165.4 -76.6 156.6 -60.9 21.1 -8.5 14 223 A S E - 0 0 49 10,-1.8 -1,-0.1 1,-0.3 11,-0.1 -0.588 34.5 -13.6-147.6-155.1 -58.5 23.4 -6.6 15 224 A K E - 0 0 62 -2,-0.2 9,-2.7 8,-0.1 2,-0.3 -0.004 64.1-103.8 -60.1 156.2 -55.1 25.1 -6.6 16 225 A T E -A 23 0A 62 7,-0.2 7,-0.3 1,-0.1 3,-0.2 -0.651 27.2-173.7 -79.3 133.3 -52.2 24.4 -9.0 17 226 A L E S+ 0 0 96 5,-3.0 2,-0.3 1,-0.4 6,-0.2 0.771 78.2 7.1 -95.9 -34.1 -49.4 22.4 -7.4 18 227 A G E A 22 0A 28 4,-1.5 4,-2.6 0, 0.0 -1,-0.4 -0.939 360.0 360.0-150.9 127.6 -47.0 22.6 -10.3 19 228 A S 0 0 147 -2,-0.3 4,-0.0 2,-0.2 0, 0.0 -0.154 360.0 360.0 -85.3 360.0 -47.5 24.6 -13.5 20 ! 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 21 233 A E 0 0 94 0, 0.0 17,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.1 -49.7 20.6 -15.1 22 234 A V E -AB 18 37A 50 -4,-2.6 -5,-3.0 15,-0.2 -4,-1.5 -0.952 360.0-171.3-122.5 131.1 -50.7 19.2 -11.7 23 235 A K E -AB 16 36A 25 13,-2.5 13,-2.9 -2,-0.4 2,-0.2 -0.934 22.8-126.2-125.7 143.1 -53.7 20.3 -9.6 24 236 A L E + B 0 35A 18 -9,-2.7 -10,-1.8 -2,-0.4 2,-0.3 -0.590 40.3 167.5 -74.0 142.5 -55.0 19.6 -6.1 25 237 A A E -AB 13 34A 0 9,-2.1 9,-3.1 -2,-0.2 2,-0.5 -0.980 30.5-125.3-153.5 164.2 -58.5 18.3 -6.0 26 238 A F E -AB 12 33A 70 -14,-2.4 -14,-2.5 -2,-0.3 2,-0.5 -0.959 18.8-131.5-118.7 124.9 -61.1 16.7 -3.6 27 239 A E E >>> -AB 11 32A 36 5,-2.4 4,-2.7 -2,-0.5 3,-0.8 -0.610 17.3-146.7 -69.2 119.4 -62.9 13.5 -4.3 28 240 A R T 345S+ 0 0 121 -18,-2.7 -1,-0.2 -2,-0.5 -17,-0.1 0.894 92.9 56.7 -55.1 -45.1 -66.6 14.3 -3.5 29 241 A K T 345S+ 0 0 186 -19,-0.5 -1,-0.2 1,-0.2 -18,-0.1 0.792 126.3 16.1 -59.4 -32.2 -67.4 10.8 -2.2 30 242 A T T <45S- 0 0 59 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.534 89.3-129.6-120.9 -13.5 -64.7 10.8 0.4 31 243 A C T <5 + 0 0 103 -4,-2.7 2,-0.3 1,-0.2 -3,-0.2 0.796 61.4 146.8 57.1 30.0 -63.7 14.5 0.8 32 244 A K E < -B 27 0A 135 -5,-0.7 -5,-2.4 1,-0.0 2,-0.3 -0.700 52.9-109.2 -96.7 149.5 -60.1 13.2 0.4 33 245 A K E +B 26 0A 96 -2,-0.3 47,-0.6 -7,-0.2 2,-0.3 -0.556 41.2 172.0 -77.3 135.2 -57.3 15.1 -1.3 34 246 A V E -BC 25 79A 0 -9,-3.1 -9,-2.1 -2,-0.3 2,-0.4 -0.873 27.9-125.3-131.8 169.3 -56.1 13.8 -4.7 35 247 A A E -BC 24 78A 10 43,-2.9 43,-3.9 -2,-0.3 2,-0.5 -0.961 18.9-159.0-116.8 138.3 -53.7 15.1 -7.4 36 248 A I E -BC 23 77A 0 -13,-2.9 -13,-2.5 -2,-0.4 2,-0.6 -0.962 3.2-154.9-123.2 119.3 -54.8 15.5 -11.0 37 249 A K E -BC 22 76A 29 39,-3.2 39,-2.7 -2,-0.5 2,-0.6 -0.807 10.2-153.2 -94.8 123.0 -52.4 15.6 -13.8 38 250 A I E - C 0 75A 24 -17,-3.2 2,-0.6 -2,-0.6 37,-0.2 -0.866 11.2-174.6-102.4 118.5 -53.5 17.4 -16.9 39 251 A I E - C 0 74A 38 35,-2.4 35,-2.6 -2,-0.6 2,-0.1 -0.943 20.6-137.7-112.1 112.5 -52.1 16.4 -20.3 40 252 A S 0 0 90 -2,-0.6 33,-0.1 33,-0.2 32,-0.0 -0.416 360.0 360.0 -68.9 140.5 -53.2 18.6 -23.2 41 253 A K 0 0 113 31,-0.5 3,-0.2 -2,-0.1 -1,-0.1 0.647 360.0 360.0 -78.7 360.0 -54.1 16.8 -26.5 42 ! 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 43 266 A P > 0 0 100 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -73.5 -50.1 12.8 -27.1 44 267 A A H > + 0 0 59 1,-0.2 4,-2.7 -3,-0.2 5,-0.1 0.770 360.0 55.2 -34.3 -46.8 -52.4 9.8 -27.1 45 268 A L H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.956 105.3 45.8 -63.2 -61.4 -49.6 7.3 -27.1 46 269 A N H > S+ 0 0 87 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.905 116.7 49.5 -45.6 -46.2 -47.5 8.3 -24.1 47 270 A V H X S+ 0 0 5 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.920 106.0 54.7 -62.0 -47.2 -50.8 8.5 -22.2 48 271 A E H X S+ 0 0 42 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.927 113.7 41.0 -54.8 -47.8 -52.1 5.1 -23.3 49 272 A T H X S+ 0 0 51 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.911 112.6 54.2 -70.3 -42.1 -48.9 3.4 -22.0 50 273 A E H X S+ 0 0 5 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.934 112.1 44.6 -56.9 -47.5 -48.7 5.4 -18.8 51 274 A I H X S+ 0 0 21 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.933 114.2 48.9 -62.1 -46.5 -52.3 4.5 -17.8 52 275 A E H X S+ 0 0 56 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.873 114.0 47.3 -62.9 -37.8 -51.8 0.9 -18.8 53 276 A I H X S+ 0 0 5 -4,-3.1 4,-1.8 1,-0.2 3,-0.5 0.955 111.7 48.8 -66.0 -51.4 -48.6 0.8 -16.7 54 277 A L H < S+ 0 0 6 -4,-2.9 11,-0.5 1,-0.2 -2,-0.2 0.822 107.9 55.9 -60.6 -32.6 -50.0 2.5 -13.7 55 278 A K H < S+ 0 0 153 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.868 112.8 39.6 -67.8 -36.1 -53.0 0.2 -13.6 56 279 A K H < S+ 0 0 81 -4,-1.1 2,-0.2 -3,-0.5 -2,-0.2 0.730 97.1 89.3 -90.2 -23.3 -51.0 -3.0 -13.5 57 280 A L < - 0 0 13 -4,-1.8 2,-0.2 -5,-0.1 58,-0.0 -0.516 47.9-179.9 -79.0 144.2 -48.2 -1.9 -11.1 58 281 A N + 0 0 118 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.722 26.6 127.3-146.2 88.8 -48.7 -2.4 -7.3 59 282 A H > - 0 0 31 3,-0.4 3,-1.8 -2,-0.2 -2,-0.0 -0.999 58.8-126.7-150.0 143.2 -45.8 -1.2 -5.2 60 283 A P T 3 S+ 0 0 40 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.736 111.8 48.1 -63.1 -26.5 -45.5 1.2 -2.2 61 284 A C T 3 S+ 0 0 0 81,-0.1 82,-2.6 46,-0.1 2,-0.4 0.115 99.9 79.3-104.4 21.5 -42.8 3.2 -3.9 62 285 A I B < S-e 143 0B 2 -3,-1.8 -3,-0.4 80,-0.3 82,-0.1 -0.991 86.9-114.1-127.0 124.6 -44.7 3.6 -7.1 63 286 A I - 0 0 6 80,-2.2 2,-0.3 -2,-0.4 -6,-0.1 -0.180 31.1-134.2 -53.3 143.6 -47.6 6.2 -7.4 64 287 A K - 0 0 65 -4,-0.1 15,-1.3 -6,-0.1 2,-0.4 -0.797 6.3-129.4-105.4 144.6 -51.1 4.7 -7.9 65 288 A I E +D 78 0A 31 -11,-0.5 13,-0.2 -2,-0.3 3,-0.1 -0.745 21.9 179.1 -90.3 137.4 -53.7 5.8 -10.4 66 289 A K E - 0 0 108 11,-3.9 2,-0.3 1,-0.4 12,-0.2 0.716 63.4 -13.0-107.1 -30.1 -57.2 6.5 -8.9 67 290 A N E -D 77 0A 43 10,-1.2 10,-2.8 2,-0.0 -1,-0.4 -0.981 55.4-142.5-167.7 161.4 -59.1 7.5 -12.0 68 291 A F E -D 76 0A 58 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.999 5.4-166.8-140.3 141.3 -58.8 8.6 -15.7 69 292 A F E -D 75 0A 23 6,-2.9 6,-3.0 -2,-0.3 2,-0.8 -0.943 2.1-170.2-132.9 114.3 -60.6 11.1 -17.9 70 293 A D E +D 74 0A 97 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.873 44.8 108.7-100.8 103.7 -60.3 11.2 -21.7 71 294 A A S S- 0 0 34 2,-2.7 -30,-0.0 -2,-0.8 -2,-0.0 -0.376 87.9 -24.7-143.7-140.9 -61.9 14.4 -22.9 72 295 A E S S+ 0 0 138 -2,-0.1 -31,-0.5 -32,-0.0 2,-0.2 0.880 139.9 5.7 -51.3 -37.5 -61.0 17.8 -24.3 73 296 A D S S- 0 0 43 -33,-0.1 -2,-2.7 -32,-0.1 2,-0.5 -0.791 94.2 -93.3-130.5 178.3 -57.8 16.9 -22.5 74 297 A Y E -CD 39 70A 23 -35,-2.6 -35,-2.4 -2,-0.2 2,-0.5 -0.846 35.5-166.5 -95.4 131.8 -56.4 13.9 -20.6 75 298 A Y E -CD 38 69A 13 -6,-3.0 -6,-2.9 -2,-0.5 2,-0.6 -0.973 3.5-170.8-121.2 120.7 -57.0 13.9 -16.9 76 299 A I E -CD 37 68A 0 -39,-2.7 -39,-3.2 -2,-0.5 2,-0.6 -0.944 11.7-150.3-113.0 119.6 -55.1 11.4 -14.7 77 300 A V E +CD 36 67A 0 -10,-2.8 -11,-3.9 -2,-0.6 -10,-1.2 -0.785 25.7 172.8 -94.5 121.0 -56.1 11.2 -11.0 78 301 A L E -CD 35 65A 11 -43,-3.9 -43,-2.9 -2,-0.6 -13,-0.2 -0.777 39.9 -81.1-125.7 162.9 -53.3 10.2 -8.6 79 302 A E E -C 34 0A 41 -15,-1.3 2,-0.5 -2,-0.3 -45,-0.2 -0.414 52.5-115.7 -55.6 133.2 -52.5 9.8 -4.9 80 303 A L - 0 0 38 -47,-0.6 2,-0.7 -2,-0.1 -1,-0.1 -0.655 24.1-157.3 -77.2 126.3 -51.7 13.2 -3.5 81 304 A M > - 0 0 19 -2,-0.5 3,-1.3 1,-0.1 51,-0.2 -0.894 4.6-167.9-105.6 104.6 -48.0 13.3 -2.3 82 305 A E T 3 S+ 0 0 108 51,-0.9 52,-0.2 -2,-0.7 51,-0.2 0.786 79.6 63.7 -68.3 -29.2 -47.9 16.1 0.3 83 306 A G T 3 S- 0 0 14 49,-1.7 -1,-0.3 1,-0.2 50,-0.2 0.685 94.0-151.9 -67.7 -18.5 -44.1 16.3 0.5 84 307 A G E < -F 132 0B 30 -3,-1.3 48,-2.9 48,-0.7 2,-0.3 -0.373 41.2 -15.7 78.8-160.1 -43.9 17.4 -3.2 85 308 A E E > -F 131 0B 72 46,-0.2 3,-0.8 1,-0.1 4,-0.2 -0.580 48.0-135.3 -83.7 141.3 -41.0 16.8 -5.5 86 309 A L T >> S+ 0 0 0 44,-2.6 3,-2.4 41,-0.8 4,-0.5 0.824 101.4 75.6 -57.6 -31.6 -37.5 15.7 -4.4 87 310 A F H >> S+ 0 0 65 40,-1.4 3,-2.0 43,-0.3 4,-1.4 0.897 87.7 55.9 -47.6 -47.6 -36.3 18.4 -6.8 88 311 A D H <4 S+ 0 0 91 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.573 103.2 57.0 -69.4 -5.9 -37.2 21.2 -4.5 89 312 A K H <4 S+ 0 0 76 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.521 115.4 33.6 -96.4 -8.1 -35.1 19.6 -1.7 90 313 A V H << S+ 0 0 7 -3,-2.0 3,-0.4 -4,-0.5 -2,-0.2 0.461 90.3 104.4-128.5 -7.4 -31.9 19.7 -3.8 91 314 A V S >< S+ 0 0 59 -4,-1.4 3,-1.1 1,-0.2 110,-0.0 -0.357 73.4 38.2 -74.5 160.7 -32.1 22.7 -6.0 92 315 A G T 3 S- 0 0 67 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.887 133.9 -69.7 63.6 39.9 -30.0 25.8 -5.1 93 316 A N T 3 S+ 0 0 124 -3,-0.4 -1,-0.2 107,-0.3 -2,-0.2 0.630 89.4 156.5 50.8 16.8 -27.1 23.6 -4.0 94 317 A K < - 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0 0 51 0, 0.0 3,-0.1 0, 0.0 21,-0.1 -0.490 17.4-137.1 -78.8 146.6 -24.7 17.7 -10.5 203 426 A P S S+ 0 0 2 0, 0.0 20,-2.6 0, 0.0 2,-0.4 0.714 93.4 37.8 -72.8 -27.0 -21.9 15.4 -11.8 204 427 A F S S+ 0 0 22 18,-0.2 2,-0.3 -12,-0.1 18,-0.1 -0.963 74.4 130.7-134.5 115.1 -22.2 16.7 -15.4 205 428 A S - 0 0 28 -2,-0.4 11,-0.1 2,-0.1 18,-0.0 -0.926 55.9-124.5-149.4 176.1 -22.8 20.3 -16.3 206 429 A E S > S+ 0 0 134 -2,-0.3 3,-0.7 4,-0.0 2,-0.3 0.480 73.7 115.9-103.2 -5.1 -21.5 23.1 -18.6 207 430 A H T 3 S- 0 0 125 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.504 90.8 -5.6 -66.4 121.7 -21.1 25.5 -15.6 208 431 A R T 3 S+ 0 0 218 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.974 116.2 89.9 53.6 65.6 -17.4 26.3 -15.2 209 432 A T < - 0 0 51 -3,-0.7 -1,-0.2 1,-0.1 0, 0.0 -0.906 57.6-154.1-178.3 153.2 -16.0 23.9 -17.9 210 433 A Q + 0 0 199 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.481 69.4 98.6-118.3 -10.2 -15.1 23.9 -21.6 211 434 A V S S- 0 0 67 1,-0.1 5,-0.0 2,-0.0 2,-0.0 -0.659 85.6-106.0 -75.4 133.6 -15.5 20.1 -22.2 212 435 A S > - 0 0 45 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.303 17.4-120.6 -67.5 145.0 -19.0 19.5 -23.7 213 436 A L H > S+ 0 0 58 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.906 116.5 52.2 -47.9 -50.1 -21.8 17.9 -21.6 214 437 A K H > S+ 0 0 147 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.926 109.3 49.7 -49.4 -50.5 -21.9 15.1 -24.1 215 438 A D H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 6,-0.3 0.907 108.8 50.5 -61.8 -46.5 -18.2 14.5 -23.8 216 439 A Q H X>S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 5,-1.3 0.936 114.3 46.3 -54.1 -48.1 -18.2 14.4 -20.0 217 440 A I H <5S+ 0 0 66 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.935 114.1 43.9 -66.5 -50.9 -21.0 11.9 -20.0 218 441 A T H <5S+ 0 0 87 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.883 118.9 45.6 -63.0 -36.5 -19.6 9.6 -22.7 219 442 A S H <5S- 0 0 66 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.842 102.8-139.0 -71.3 -31.8 -16.2 9.8 -21.1 220 443 A G T <5 + 0 0 14 -4,-2.3 2,-1.5 -5,-0.3 -3,-0.2 0.627 52.0 145.2 79.7 15.2 -17.8 9.3 -17.7 221 444 A K < - 0 0 85 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.652 30.9-168.9 -88.8 86.1 -15.6 11.9 -16.1 222 445 A Y - 0 0 56 -2,-1.5 2,-1.1 22,-0.1 -18,-0.2 -0.407 33.8 -97.0 -73.0 152.7 -17.9 13.5 -13.6 223 446 A N - 0 0 65 -20,-2.6 2,-0.6 -21,-0.1 -1,-0.1 -0.589 42.4-164.7 -71.0 99.0 -16.9 16.7 -11.9 224 447 A F - 0 0 85 -2,-1.1 -1,-0.0 4,-0.0 -3,-0.0 -0.801 7.6-173.0 -90.2 118.6 -15.4 15.5 -8.5 225 448 A I >> - 0 0 48 -2,-0.6 4,-1.6 1,-0.1 3,-0.7 -0.835 7.2-163.8-113.8 93.3 -15.1 18.4 -6.0 226 449 A P H 3> S+ 0 0 70 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.751 83.5 62.1 -49.9 -39.1 -13.2 17.0 -3.0 227 450 A E H >> S+ 0 0 149 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.967 110.4 39.5 -50.0 -59.6 -14.2 19.8 -0.6 228 451 A V H X4 S+ 0 0 34 -3,-0.7 3,-0.7 1,-0.2 4,-0.3 0.864 116.4 50.8 -57.6 -41.0 -17.9 18.9 -0.9 229 452 A W H >< S+ 0 0 8 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.609 88.3 78.3 -82.2 -14.2 -17.3 15.2 -0.9 230 453 A A H << S+ 0 0 83 -4,-1.7 -1,-0.2 -3,-0.7 -2,-0.2 0.865 90.0 59.1 -60.0 -35.4 -15.2 15.0 2.2 231 454 A E T << S+ 0 0 95 -3,-0.7 -1,-0.3 -4,-0.6 2,-0.2 0.812 98.2 79.3 -59.0 -30.0 -18.5 15.4 4.2 232 455 A V S < S- 0 0 20 -3,-0.9 -33,-0.0 -4,-0.3 -34,-0.0 -0.535 87.0-103.6 -93.6 147.2 -19.7 12.2 2.6 233 456 A S > - 0 0 51 -2,-0.2 4,-1.6 1,-0.1 -1,-0.1 -0.103 19.8-128.1 -56.4 157.8 -18.9 8.5 3.4 234 457 A E H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.1 -1,-0.1 0.801 110.5 57.0 -76.6 -30.2 -16.6 6.5 1.3 235 458 A K H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.943 107.0 47.1 -64.2 -50.2 -19.3 3.8 1.0 236 459 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.960 113.2 48.2 -52.9 -56.1 -21.8 6.2 -0.4 237 460 A L H X S+ 0 0 27 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.859 108.2 56.2 -56.4 -37.7 -19.3 7.6 -2.9 238 461 A D H X S+ 0 0 57 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.912 105.3 50.4 -62.2 -43.7 -18.3 4.0 -3.9 239 462 A L H X S+ 0 0 0 -4,-2.0 4,-0.9 -3,-0.3 3,-0.3 0.919 108.4 52.6 -60.8 -45.2 -21.9 3.1 -4.8 240 463 A V H >X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 3,-0.9 0.913 106.3 54.6 -54.2 -44.6 -22.2 6.2 -7.0 241 464 A K H 3< S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.5 50.1 -62.3 -34.6 -19.0 5.1 -8.8 242 465 A K H 3< S+ 0 0 81 -4,-1.5 10,-2.2 -3,-0.3 3,-0.3 0.621 113.0 47.4 -80.8 -11.8 -20.4 1.7 -9.7 243 466 A L H << S+ 0 0 1 -3,-0.9 2,-0.8 -4,-0.9 -52,-0.2 0.715 103.3 61.3 -95.4 -29.1 -23.6 3.3 -11.0 244 467 A L S < S+ 0 0 10 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 -0.324 74.4 137.5 -93.6 52.5 -21.8 5.9 -13.1 245 468 A V - 0 0 43 -2,-0.8 6,-0.2 -3,-0.3 -25,-0.1 -0.891 50.6-146.5-102.4 123.1 -20.1 3.3 -15.2 246 469 A V S S+ 0 0 73 -2,-0.6 -1,-0.1 -27,-0.2 -26,-0.1 0.821 82.1 77.1 -59.0 -36.9 -20.0 4.0 -18.9 247 470 A D S >> S- 0 0 81 1,-0.2 4,-1.9 -3,-0.1 3,-0.7 -0.674 70.3-155.3 -80.2 112.6 -20.3 0.4 -20.0 248 471 A P T 34 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.775 92.8 56.1 -61.4 -26.9 -24.0 -0.7 -19.5 249 472 A K T 34 S+ 0 0 103 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.843 114.0 38.9 -74.0 -32.5 -23.0 -4.3 -19.1 250 473 A A T <4 S+ 0 0 58 -3,-0.7 -1,-0.2 2,-0.1 3,-0.1 0.684 92.6 111.0 -85.6 -22.0 -20.7 -3.6 -16.2 251 474 A R S < S- 0 0 21 -4,-1.9 -8,-0.2 -6,-0.2 -9,-0.1 -0.173 80.9 -95.4 -55.3 147.5 -22.9 -1.0 -14.7 252 475 A F - 0 0 34 -10,-2.2 2,-0.2 -13,-0.1 -1,-0.1 -0.350 36.0-141.0 -60.6 138.9 -24.5 -1.9 -11.3 253 476 A T > - 0 0 50 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.475 30.7-101.8 -88.6 172.1 -28.0 -3.4 -11.5 254 477 A T H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.916 125.1 54.0 -58.0 -43.6 -30.6 -2.5 -8.9 255 478 A E H > S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.919 109.7 46.0 -56.0 -47.3 -29.9 -5.9 -7.2 256 479 A E H > S+ 0 0 62 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.851 112.6 50.9 -66.5 -35.3 -26.2 -5.1 -7.0 257 480 A A H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 6,-0.2 0.920 108.0 53.1 -65.7 -41.5 -26.9 -1.7 -5.6 258 481 A L H 3< S+ 0 0 25 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.752 110.9 46.7 -66.9 -26.0 -29.3 -3.2 -3.1 259 482 A R H 3< S+ 0 0 172 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.526 85.4 118.1 -90.1 -9.3 -26.5 -5.5 -1.9 260 483 A H S XX S- 0 0 7 -3,-0.9 3,-2.9 -4,-0.7 4,-0.5 -0.341 77.7-117.0 -61.3 139.0 -23.8 -2.8 -1.7 261 484 A P G >4 S+ 0 0 70 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.735 111.4 68.2 -47.1 -30.3 -22.4 -2.2 1.8 262 485 A W G 34 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.771 103.4 45.0 -65.6 -22.2 -23.8 1.3 1.8 263 486 A L G <4 S+ 0 0 0 -3,-2.9 2,-1.9 -6,-0.2 -1,-0.2 0.488 82.7 96.3-102.5 -4.4 -27.3 -0.2 1.9 264 487 A Q << + 0 0 106 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.1 -0.586 53.6 130.2 -80.1 76.7 -26.7 -2.8 4.6 265 488 A D > - 0 0 46 -2,-1.9 4,-2.1 1,-0.1 3,-0.2 -0.834 41.3-168.7-141.1 93.0 -28.0 -0.5 7.2 266 489 A E H > S+ 0 0 135 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.738 85.1 56.1 -63.6 -27.6 -30.6 -2.1 9.5 267 490 A D H > S+ 0 0 133 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.959 107.3 48.1 -68.0 -51.2 -31.8 1.1 11.1 268 491 A M H > S+ 0 0 13 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.924 113.3 48.5 -53.4 -48.8 -32.6 2.8 7.8 269 492 A K H X S+ 0 0 45 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.937 110.6 51.1 -58.6 -45.9 -34.5 -0.3 6.7 270 493 A R H X S+ 0 0 67 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.930 108.4 51.4 -57.4 -47.5 -36.4 -0.4 10.0 271 494 A K H X S+ 0 0 50 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.845 110.0 50.6 -57.2 -36.2 -37.3 3.3 9.6 272 495 A F H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.954 109.7 48.3 -68.4 -50.7 -38.7 2.5 6.2 273 496 A Q H X S+ 0 0 98 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.904 110.2 55.6 -53.3 -43.3 -40.8 -0.4 7.4 274 497 A D H X S+ 0 0 95 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.954 109.1 43.6 -52.2 -57.1 -42.0 1.9 10.1 275 498 A L H X S+ 0 0 23 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.804 112.5 57.7 -62.1 -28.9 -43.2 4.5 7.6 276 499 A L H >X S+ 0 0 23 -4,-2.2 4,-1.8 2,-0.2 3,-1.0 0.992 108.4 39.6 -65.1 -65.0 -44.7 1.7 5.6 277 500 A S H 3X S+ 0 0 65 -4,-2.5 4,-1.5 1,-0.3 -1,-0.2 0.826 111.8 60.6 -57.1 -31.8 -47.0 0.1 8.2 278 501 A E H 3< S+ 0 0 115 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.3 0.863 107.3 44.7 -62.3 -36.7 -47.9 3.6 9.3 279 502 A E H X< S+ 0 0 63 -4,-1.3 3,-0.7 -3,-1.0 -2,-0.2 0.818 111.7 54.3 -73.3 -32.1 -49.2 4.3 5.8 280 503 A N H >X S+ 0 0 76 -4,-1.8 3,-2.1 1,-0.2 4,-1.3 0.712 84.0 82.8 -76.8 -21.8 -51.0 1.0 5.8 281 504 A E T 3< S+ 0 0 148 -4,-1.5 -1,-0.2 1,-0.3 3,-0.2 0.813 82.6 66.5 -50.9 -31.8 -52.9 1.6 9.0 282 505 A S T <4 S+ 0 0 107 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.812 116.9 20.6 -58.4 -32.5 -55.4 3.5 6.9 283 506 A T T <4 S+ 0 0 104 -3,-2.1 2,-0.7 -4,-0.2 -1,-0.2 0.363 82.6 134.0-125.8 1.6 -56.5 0.4 5.1 284 507 A A < - 0 0 71 -4,-1.3 3,-0.1 -3,-0.2 -3,-0.0 -0.444 38.6-158.7 -65.9 107.2 -55.5 -2.6 7.3 285 508 A L - 0 0 138 -2,-0.7 -2,-0.1 1,-0.1 -1,-0.0 -0.619 29.9-101.6 -78.7 144.4 -58.5 -5.0 7.5 286 509 A P - 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.324 50.2-155.9 -61.9 151.4 -58.5 -7.4 10.5 287 510 A Q - 0 0 182 -3,-0.1 2,-0.3 1,-0.0 -3,-0.0 -0.833 20.4 -74.1-137.4 170.9 -57.3 -10.8 9.5 288 511 A V 0 0 146 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.426 360.0 360.0 -66.9 123.6 -57.4 -14.5 10.2 289 512 A L 0 0 145 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.011 360.0 360.0 -86.7 360.0 -55.2 -15.6 13.1