==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-FEB-11 3QRK . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.W.CHAN,S.C.WISE,M.D.KAUFMAN,Y.M.AHN,C.L.ENSINGER,T.HAACK,M . 270 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 13.3 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 . 1 0.4 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 . 15 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 0 3 0 0 0 2 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 2 0 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 0 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 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 1 227 A P 0 0 134 0, 0.0 7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -37.9 19.8 3.8 30.3 2 228 A S + 0 0 131 4,-0.0 0, 0.0 2,-0.0 0, 0.0 0.697 360.0 109.1 -47.5 -28.7 21.7 0.7 31.7 3 229 A S - 0 0 71 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.286 65.2-145.6 -59.6 133.1 24.1 0.9 28.7 4 230 A P S S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.953 97.5 33.9 -64.3 -54.0 27.6 2.0 29.7 5 231 A N S S+ 0 0 159 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.991 95.9 164.1 -66.6 -64.7 28.5 3.9 26.5 6 232 A Y - 0 0 122 1,-0.1 2,-0.3 2,-0.0 -4,-0.0 0.700 33.5-158.0 64.6 140.1 24.9 5.2 25.9 7 233 A D - 0 0 63 3,-0.1 3,-0.5 1,-0.0 -1,-0.1 -0.843 5.3-161.3-148.2 111.9 23.3 7.9 23.7 8 234 A K S S+ 0 0 138 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.650 91.9 55.6 -66.8 -14.5 19.8 9.2 24.8 9 235 A W S S+ 0 0 38 68,-0.1 69,-2.5 2,-0.0 -1,-0.2 0.780 85.3 92.5 -89.4 -29.8 19.3 10.6 21.2 10 236 A E B +a 78 0A 60 -3,-0.5 2,-0.2 67,-0.2 69,-0.2 -0.455 54.1 156.6 -70.0 133.7 19.9 7.4 19.3 11 237 A M - 0 0 27 67,-2.0 2,-0.6 -2,-0.2 69,-0.1 -0.897 42.2 -58.6-151.9-176.5 16.7 5.3 18.5 12 238 A E > - 0 0 124 -2,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.549 26.4-155.7 -84.3 113.6 15.1 2.8 16.2 13 239 A R G > S+ 0 0 70 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.789 94.2 62.7 -41.7 -40.6 14.7 3.5 12.5 14 240 A T G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.511 88.4 70.7 -76.5 -5.2 11.7 1.1 12.2 15 241 A D G < S+ 0 0 37 -3,-2.4 21,-1.0 20,-0.1 2,-0.4 0.781 92.3 69.6 -72.4 -30.8 9.8 3.3 14.6 16 242 A I E < -B 35 0A 10 -3,-1.3 2,-0.6 -4,-0.5 19,-0.2 -0.771 68.0-156.6 -96.5 130.2 9.5 5.9 11.8 17 243 A T E -B 34 0A 60 17,-3.0 17,-2.2 -2,-0.4 2,-0.5 -0.948 21.1-141.1-103.1 117.9 7.4 5.5 8.7 18 244 A M E -B 33 0A 58 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.676 21.3-178.2 -87.1 122.4 8.8 7.7 6.0 19 245 A K E - 0 0 98 13,-3.1 3,-0.1 -2,-0.5 -1,-0.1 0.011 43.6 -46.9 -95.2-155.0 6.4 9.5 3.6 20 246 A H E - 0 0 166 1,-0.1 12,-2.6 11,-0.1 -1,-0.3 -0.181 69.8 -80.4 -78.0 174.3 7.3 11.8 0.7 21 247 A K E > -B 31 0A 71 10,-0.2 3,-0.5 3,-0.2 10,-0.3 -0.361 48.8-113.9 -72.6 152.4 9.8 14.6 0.6 22 248 A L T 3 S+ 0 0 43 8,-3.5 5,-0.5 6,-0.2 8,-0.2 -0.492 88.9 13.9 -86.8 158.5 8.9 18.0 2.0 23 249 A G T > S- 0 0 54 1,-0.3 2,-3.1 -2,-0.2 3,-1.6 0.839 119.7 -81.4 47.2 37.5 8.5 21.3 0.2 24 250 A G T < S- 0 0 75 -3,-0.5 -1,-0.3 1,-0.3 -3,-0.2 -0.279 88.3 -53.4 71.7 -57.0 8.5 19.3 -3.0 25 251 A G T > S+ 0 0 15 -2,-3.1 3,-1.9 4,-0.0 -1,-0.3 0.219 113.2 101.9 175.1 -16.9 12.3 19.1 -3.1 26 252 A Q T < S+ 0 0 114 -3,-1.6 -3,-0.1 1,-0.3 -2,-0.1 0.272 82.1 56.6 -79.1 14.7 13.6 22.7 -2.8 27 253 A Y T 3 S- 0 0 31 -5,-0.5 -1,-0.3 1,-0.4 2,-0.1 0.173 109.0-124.5-121.4 8.8 14.4 22.2 1.0 28 254 A G < - 0 0 9 -3,-1.9 2,-2.1 133,-0.1 -1,-0.4 -0.398 64.3 -11.1 81.3-157.0 16.6 19.2 0.3 29 255 A E S S+ 0 0 71 17,-0.2 17,-2.0 -2,-0.1 2,-0.5 -0.357 88.0 131.5 -82.0 59.7 16.4 15.7 1.8 30 256 A V E - C 0 45A 11 -2,-2.1 -8,-3.5 -8,-0.2 2,-0.3 -0.967 37.2-166.7-117.5 121.4 13.8 16.4 4.5 31 257 A Y E -BC 21 44A 41 13,-4.0 13,-2.6 -2,-0.5 2,-0.4 -0.700 26.0-117.6-111.4 153.9 10.9 14.1 4.6 32 258 A E E + C 0 43A 68 -12,-2.6 -13,-3.1 -2,-0.3 2,-0.3 -0.736 46.4 168.7 -76.7 139.6 7.5 13.8 6.2 33 259 A G E -BC 18 42A 0 9,-2.1 9,-2.7 -2,-0.4 2,-0.4 -0.938 31.6-135.3-142.7 164.6 7.4 10.8 8.6 34 260 A V E -BC 17 41A 33 -17,-2.2 -17,-3.0 -2,-0.3 2,-1.4 -0.997 6.1-152.4-122.4 127.3 5.2 9.3 11.3 35 261 A W E > > -BC 16 40A 31 5,-3.4 3,-2.5 -2,-0.4 5,-1.2 -0.687 25.2-164.6 -89.8 80.5 6.7 8.0 14.5 36 262 A K G > 5S+ 0 0 118 -2,-1.4 3,-1.6 -21,-1.0 -1,-0.2 0.682 74.9 60.9 -46.0 -42.6 3.9 5.5 14.9 37 263 A K G 3 5S+ 0 0 147 -22,-0.3 -1,-0.3 1,-0.3 -21,-0.1 0.628 117.4 34.3 -67.2 -12.4 4.2 4.5 18.6 38 264 A Y G < 5S- 0 0 135 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.333 104.0-127.1-114.6 -1.1 3.5 8.1 19.5 39 265 A S T < 5 + 0 0 108 -3,-1.6 2,-0.5 -4,-0.4 -3,-0.2 0.798 61.9 148.7 51.1 32.0 1.1 8.9 16.7 40 266 A L E < -C 35 0A 51 -5,-1.2 -5,-3.4 50,-0.0 2,-0.3 -0.825 47.2-138.2-102.9 127.3 3.5 11.8 16.0 41 267 A T E -C 34 0A 55 -2,-0.5 50,-1.4 -7,-0.2 2,-0.3 -0.657 32.3-174.2 -76.1 137.1 4.1 13.3 12.6 42 268 A V E -CD 33 90A 0 -9,-2.7 -9,-2.1 -2,-0.3 2,-0.5 -0.835 28.3-127.3-130.7 166.4 7.8 14.2 12.2 43 269 A A E -CD 32 89A 13 46,-2.4 46,-2.1 -2,-0.3 2,-0.5 -0.988 30.0-163.4-115.9 123.8 10.3 15.8 9.8 44 270 A V E -CD 31 88A 0 -13,-2.6 -13,-4.0 -2,-0.5 2,-0.6 -0.930 11.8-161.3-119.1 126.7 13.2 13.6 8.9 45 271 A K E -CD 30 87A 57 42,-2.9 42,-2.5 -2,-0.5 -15,-0.2 -0.924 20.5-167.2-105.6 118.2 16.5 14.7 7.4 46 272 A T E - D 0 86A 9 -17,-2.0 2,-0.4 -2,-0.6 40,-0.2 -0.650 16.5-149.1-107.9 161.6 18.4 11.8 5.8 47 273 A L E - D 0 85A 17 38,-1.3 38,-1.0 -2,-0.2 2,-0.1 -0.977 17.7-169.2-129.5 115.8 21.9 11.3 4.4 48 274 A K + 0 0 108 -2,-0.4 6,-0.0 36,-0.2 37,-0.0 -0.316 46.5 39.7 -95.4-174.6 22.6 8.8 1.5 49 275 A E S S- 0 0 147 -2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.229 90.5 -92.1 57.3 168.5 25.8 7.3 0.0 50 276 A D S S+ 0 0 159 33,-0.1 4,-0.2 34,-0.0 -1,-0.1 0.955 81.5 150.6 -63.7 -55.6 28.8 6.2 2.2 51 277 A T - 0 0 49 1,-0.1 -2,-0.0 2,-0.1 -4,-0.0 0.615 61.8-125.7 42.0 156.5 30.0 9.9 1.6 52 278 A M S > S+ 0 0 174 1,-0.1 3,-0.8 2,-0.1 4,-0.2 0.061 97.3 92.1-116.4 15.2 32.2 12.1 3.8 53 279 A E T >> + 0 0 102 1,-0.2 4,-1.2 2,-0.1 3,-0.8 0.554 67.0 90.6 -65.0 -16.2 29.4 14.7 3.5 54 280 A V H 3> + 0 0 35 1,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.720 70.0 66.7 -50.9 -29.0 28.7 12.6 6.7 55 281 A E H <> S+ 0 0 128 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.931 100.1 47.7 -64.3 -47.9 30.8 15.1 8.7 56 282 A E H <> S+ 0 0 105 -3,-0.8 4,-3.1 -4,-0.2 3,-0.3 0.912 107.5 55.5 -57.7 -49.3 28.3 18.0 8.2 57 283 A F H X S+ 0 0 9 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.907 109.9 47.1 -49.7 -45.0 25.3 15.8 9.1 58 284 A L H X S+ 0 0 75 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.748 109.4 53.5 -76.7 -24.9 27.0 15.0 12.4 59 285 A K H X S+ 0 0 112 -4,-1.4 4,-2.6 -3,-0.3 3,-0.3 0.968 108.9 49.5 -64.9 -56.9 27.8 18.7 13.0 60 286 A E H X S+ 0 0 49 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.916 112.5 46.8 -47.2 -56.5 24.2 19.6 12.5 61 287 A A H X S+ 0 0 7 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.830 111.4 51.8 -54.3 -39.4 23.0 16.9 15.0 62 288 A A H X S+ 0 0 47 -4,-1.4 4,-0.7 -3,-0.3 -1,-0.2 0.887 110.1 48.8 -67.9 -40.9 25.6 17.9 17.5 63 289 A V H >X S+ 0 0 72 -4,-2.6 3,-0.9 1,-0.2 4,-0.6 0.932 109.9 52.4 -57.0 -45.5 24.5 21.6 17.3 64 290 A M H >< S+ 0 0 21 -4,-2.2 3,-0.6 1,-0.3 11,-0.5 0.786 98.1 62.5 -73.8 -29.1 20.8 20.6 17.8 65 291 A K H 3< S+ 0 0 68 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.814 104.1 51.8 -58.8 -33.3 21.3 18.5 20.9 66 292 A E H << S+ 0 0 110 -3,-0.9 2,-0.5 -4,-0.7 -1,-0.2 0.750 93.3 86.5 -70.8 -29.1 22.5 21.7 22.6 67 293 A I << + 0 0 12 -4,-0.6 8,-0.4 -3,-0.6 2,-0.4 -0.703 45.3 164.1 -94.6 121.9 19.4 23.8 21.6 68 294 A K + 0 0 109 -2,-0.5 6,-0.1 6,-0.1 5,-0.1 -0.863 23.1 118.6-143.2 94.1 16.3 23.8 23.8 69 295 A H > - 0 0 37 -2,-0.4 3,-1.8 3,-0.3 55,-0.0 -0.968 63.6-122.3-160.5 138.5 13.7 26.5 23.4 70 296 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.781 114.4 48.2 -57.3 -28.1 10.0 26.5 22.4 71 297 A N T 3 S+ 0 0 16 49,-0.1 82,-2.7 81,-0.1 2,-0.4 0.091 101.0 76.6-100.9 23.0 10.8 28.8 19.4 72 298 A L B < S-f 153 0B 7 -3,-1.8 -3,-0.3 80,-0.3 82,-0.2 -0.971 95.3 -94.6-128.3 143.3 13.7 26.8 18.0 73 299 A V - 0 0 30 80,-2.2 2,-0.5 -2,-0.4 -4,-0.1 -0.301 47.3-141.3 -52.2 136.4 13.6 23.6 16.1 74 300 A Q - 0 0 54 16,-0.1 16,-0.8 -4,-0.1 2,-0.2 -0.948 4.5-129.0-118.1 123.1 13.9 20.7 18.6 75 301 A L E + E 0 89A 1 -11,-0.5 14,-0.2 -2,-0.5 3,-0.1 -0.476 22.8 179.7 -59.0 125.7 15.9 17.5 18.1 76 302 A L E - 0 0 46 12,-3.3 2,-0.3 1,-0.4 13,-0.2 0.625 61.0 -49.8-101.4 -21.3 13.7 14.5 19.0 77 303 A G E - E 0 88A 0 11,-1.2 11,-2.2 -66,-0.0 -1,-0.4 -0.910 49.6-127.6 165.6 170.0 16.3 11.8 18.2 78 304 A V E -aE 10 87A 2 -69,-2.5 -67,-2.0 -2,-0.3 2,-0.3 -0.880 3.6-148.0-134.0 168.9 18.9 10.5 15.6 79 305 A C E + E 0 86A 1 7,-1.8 7,-2.0 -2,-0.3 -67,-0.1 -0.895 33.6 148.4-138.0 107.5 19.8 7.3 13.8 80 306 A T + 0 0 49 -2,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.425 47.7 87.9-120.5 -3.8 23.6 7.1 13.1 81 307 A R S S+ 0 0 88 1,-0.2 4,-0.1 3,-0.1 -2,-0.0 0.978 99.6 3.4 -61.5 -59.1 24.3 3.3 13.2 82 308 A E S S- 0 0 48 2,-0.2 -1,-0.2 1,-0.0 -3,-0.0 -0.882 99.1 -43.7-132.5 153.4 23.6 2.4 9.5 83 309 A P S S+ 0 0 98 0, 0.0 -35,-0.1 0, 0.0 2,-0.1 -0.359 109.1 44.2 -62.1 142.4 22.6 4.3 6.3 84 310 A P S S- 0 0 31 0, 0.0 -2,-0.2 0, 0.0 2,-0.2 0.622 80.6-148.1 -79.3 154.6 20.7 6.4 5.9 85 311 A F E -D 47 0A 36 -38,-1.0 -38,-1.3 -5,-0.1 2,-0.4 -0.578 17.9-148.3 -75.4 149.0 21.5 8.5 8.9 86 312 A Y E -DE 46 79A 22 -7,-2.0 -7,-1.8 -2,-0.2 2,-0.5 -0.987 21.2-167.7-128.8 126.4 18.5 10.4 10.3 87 313 A I E -DE 45 78A 4 -42,-2.5 -42,-2.9 -2,-0.4 2,-0.5 -0.962 23.9-163.3 -99.7 127.1 17.9 13.7 12.0 88 314 A I E +DE 44 77A 0 -11,-2.2 -12,-3.3 -2,-0.5 -11,-1.2 -0.960 17.8 158.0-120.5 126.4 14.4 13.7 13.5 89 315 A T E -DE 43 75A 20 -46,-2.1 -46,-2.4 -2,-0.5 2,-0.2 -0.831 48.7 -78.4-132.9 168.0 12.4 16.7 14.7 90 316 A E E -D 42 0A 82 -16,-0.8 2,-0.5 -2,-0.3 -48,-0.2 -0.520 49.3-114.1 -70.2 136.9 8.7 17.6 15.2 91 317 A F - 0 0 33 -50,-1.4 2,-0.8 -2,-0.2 -50,-0.1 -0.616 18.5-144.9 -69.7 120.6 6.8 18.3 12.0 92 318 A M > - 0 0 15 -2,-0.5 3,-1.6 1,-0.1 53,-0.2 -0.849 16.2-148.8 -86.6 112.2 5.7 22.0 11.9 93 319 A T T 3 S+ 0 0 61 -2,-0.8 53,-0.2 1,-0.3 -1,-0.1 0.701 85.8 50.0 -67.1 -25.5 2.4 21.5 10.2 94 320 A Y T 3 S- 0 0 109 51,-1.8 -1,-0.3 1,-0.2 52,-0.2 0.373 97.8-141.4 -96.9 7.5 2.1 24.8 8.3 95 321 A G < + 0 0 29 -3,-1.6 50,-2.7 50,-0.5 -1,-0.2 -0.192 51.7 1.2 70.6-160.3 5.6 24.7 6.7 96 322 A N B > -G 144 0B 18 48,-0.2 4,-1.8 1,-0.1 48,-0.3 -0.252 63.3-126.0 -68.2 151.2 7.9 27.6 6.2 97 323 A L H > S+ 0 0 0 46,-2.5 4,-2.3 43,-1.0 44,-0.2 0.782 102.9 59.7 -69.9 -35.2 7.0 31.1 7.3 98 324 A L H > S+ 0 0 29 42,-1.0 4,-2.1 45,-0.3 -1,-0.2 0.984 113.0 37.9 -55.2 -59.6 7.5 32.9 3.9 99 325 A D H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.853 113.5 57.9 -60.3 -35.8 4.9 30.8 2.1 100 326 A Y H < S+ 0 0 33 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.918 109.3 44.7 -59.6 -44.7 2.7 30.8 5.2 101 327 A L H < S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.878 115.5 47.1 -66.8 -41.8 2.6 34.6 5.1 102 328 A R H < S+ 0 0 121 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.802 119.0 39.0 -67.8 -33.5 2.0 34.7 1.3 103 329 A E S < S+ 0 0 159 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.255 95.4 109.7-106.2 6.8 -0.7 32.1 1.3 104 330 A C S S- 0 0 26 -3,-0.5 2,-0.6 -4,-0.5 -3,-0.0 -0.412 73.5-111.5 -91.8 157.8 -2.6 33.0 4.4 105 331 A N >> - 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0 0 56 -4,-2.6 2,-0.3 -135,-0.1 5,-0.2 -0.646 59.9-155.1 -80.1 129.9 17.5 27.3 -3.4 163 389 A T + 0 0 108 -2,-0.4 2,-0.2 3,-0.1 3,-0.2 -0.729 54.7 43.4 -95.5 151.1 17.8 28.2 -7.1 164 390 A G S > S- 0 0 56 -2,-0.3 3,-0.5 1,-0.1 -2,-0.0 -0.673 106.8 -40.9 111.8-165.5 17.4 31.7 -8.2 165 391 A D T 3 S+ 0 0 130 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.404 102.3 93.4 -88.0 2.5 18.4 35.1 -7.0 166 392 A T T 3 S+ 0 0 41 -3,-0.2 2,-0.5 1,-0.2 12,-0.3 0.913 95.9 35.2 -59.8 -45.0 17.9 34.7 -3.2 167 393 A Y S < S+ 0 0 14 -3,-0.5 2,-0.3 9,-0.2 -1,-0.2 -0.955 85.7 153.8-112.6 125.2 21.6 33.6 -2.8 168 394 A T E -I 175 0C 35 7,-2.7 7,-2.9 -2,-0.5 2,-0.3 -0.864 44.3 -82.9-146.6 171.9 24.0 35.4 -5.1 169 395 A A E +I 174 0C 71 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.641 34.3 176.8 -84.2 136.6 27.6 36.6 -5.5 170 396 A H E > S-I 173 0C 50 3,-2.6 3,-1.3 -2,-0.3 50,-0.0 -0.931 78.7 -19.5-136.8 117.3 28.8 39.8 -4.0 171 397 A A T 3 S- 0 0 98 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 0.883 129.9 -48.3 50.8 43.6 32.5 40.6 -4.5 172 398 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.560 121.5 93.2 81.6 5.4 33.3 36.9 -5.3 173 399 A A E < S-I 170 0C 25 -3,-1.3 -3,-2.6 12,-0.1 2,-0.4 -0.828 74.9-111.4-123.8 165.7 31.4 35.3 -2.3 174 400 A K E +I 169 0C 123 -2,-0.3 -5,-0.2 -5,-0.2 -15,-0.0 -0.855 42.6 157.3-105.1 132.1 27.9 34.0 -1.9 175 401 A F E -I 168 0C 3 -7,-2.9 -7,-2.7 -2,-0.4 2,-1.7 -0.996 55.3-117.4-145.7 147.8 25.3 35.8 0.3 176 402 A P >> - 0 0 13 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.716 47.8-166.8 -79.5 88.8 21.5 36.1 0.7 177 403 A I G >4 S+ 0 0 11 -2,-1.7 3,-1.2 -11,-0.3 -10,-0.1 0.819 74.3 56.7 -54.9 -43.5 22.3 39.8 -0.2 178 404 A K G 34 S+ 0 0 45 -12,-0.3 -1,-0.3 1,-0.3 36,-0.1 0.658 114.5 39.0 -65.9 -15.5 18.9 41.3 0.9 179 405 A W G <4 S+ 0 0 18 -3,-2.1 2,-0.5 2,-0.1 -1,-0.3 0.429 95.1 110.1-109.1 -2.0 19.3 39.9 4.5 180 406 A T << - 0 0 9 -3,-1.2 5,-0.1 -4,-0.7 15,-0.1 -0.663 68.5-124.9 -95.4 122.6 23.0 40.5 4.8 181 407 A A >> - 0 0 1 -2,-0.5 4,-1.8 13,-0.2 3,-1.0 -0.224 27.5-117.8 -54.3 142.5 24.6 43.2 7.0 182 408 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 115.5 52.5 -57.2 -40.0 26.9 45.7 5.1 183 409 A E H 3> S+ 0 0 38 69,-0.3 4,-2.0 1,-0.2 6,-0.6 0.738 108.4 51.6 -66.9 -26.4 29.9 44.7 7.1 184 410 A S H <> S+ 0 0 0 -3,-1.0 4,-1.0 4,-0.2 -1,-0.2 0.808 111.1 48.1 -75.0 -35.6 29.2 41.0 6.2 185 411 A L H < S+ 0 0 4 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.1 0.898 120.2 36.9 -68.1 -43.4 29.0 42.0 2.5 186 412 A A H < S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.862 133.2 21.8 -79.4 -40.0 32.2 43.9 2.6 187 413 A Y H < S- 0 0 164 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.327 90.1-130.7-115.3 5.8 34.4 41.8 5.0 188 414 A N < + 0 0 86 -4,-1.0 2,-0.3 1,-0.2 -4,-0.2 0.712 67.2 124.2 42.9 29.5 32.7 38.4 4.8 189 415 A K - 0 0 155 -6,-0.6 2,-0.3 2,-0.0 -2,-0.2 -0.910 45.0-154.1-113.5 152.1 32.6 38.2 8.7 190 416 A F + 0 0 55 -2,-0.3 2,-0.3 -3,-0.1 -56,-0.1 -0.755 14.9 170.3-126.2 157.8 29.5 37.7 10.8 191 417 A S >> - 0 0 38 -2,-0.3 4,-1.8 1,-0.1 3,-1.2 -0.965 53.3 -93.1-154.5 164.6 28.3 38.4 14.3 192 418 A I H 3> S+ 0 0 34 -2,-0.3 4,-1.6 1,-0.3 -57,-0.1 0.843 127.2 58.4 -45.2 -43.4 25.2 38.4 16.5 193 419 A K H 3> S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.740 101.5 53.5 -62.0 -27.3 24.8 42.0 15.4 194 420 A S H <> S+ 0 0 7 -3,-1.2 4,-2.1 2,-0.2 -13,-0.2 0.865 106.7 51.8 -75.4 -35.1 24.7 40.8 11.7 195 421 A D H X S+ 0 0 3 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.857 105.1 57.1 -60.1 -37.0 21.9 38.4 12.8 196 422 A V H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.942 105.6 49.2 -62.2 -44.2 20.3 41.6 14.3 197 423 A W H X S+ 0 0 1 -4,-1.7 4,-1.4 2,-0.2 3,-0.3 0.922 111.5 49.0 -52.7 -48.5 20.4 43.1 10.8 198 424 A A H >X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 3,-0.6 0.942 106.7 57.4 -60.3 -44.1 18.8 39.9 9.4 199 425 A F H 3X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.848 102.7 53.6 -53.3 -40.2 16.2 40.1 12.1 200 426 A G H 3X S+ 0 0 0 -4,-1.7 4,-1.4 -3,-0.3 -1,-0.2 0.845 109.6 47.4 -66.6 -35.0 15.1 43.6 10.9 201 427 A V H S+ 0 0 2 -4,-2.6 5,-2.9 2,-0.2 6,-0.4 0.936 110.4 44.3 -52.1 -49.7 9.0 40.3 5.7 206 432 A I H ><5S+ 0 0 4 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.956 111.7 54.4 -62.8 -44.7 6.4 39.6 8.4 207 433 A A H 3<5S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.705 112.9 41.6 -65.7 -24.9 4.9 43.1 8.1 208 434 A T T 3<5S- 0 0 20 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.315 114.9-109.8-102.2 5.7 4.3 42.8 4.4 209 435 A Y T < 5S- 0 0 31 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.843 83.2 -40.2 60.1 39.3 3.0 39.2 4.4 210 436 A G S S- 0 0 7 1,-0.1 3,-1.3 -36,-0.1 2,-0.2 0.945 79.3-162.2 46.7 58.6 14.0 46.2 -1.4 215 441 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.513 72.4 23.3 -63.2 138.9 11.2 46.3 -4.0 216 442 A G T 3 S+ 0 0 91 1,-0.3 2,-0.4 -2,-0.2 -2,-0.1 0.380 103.0 104.9 90.9 -4.2 12.1 48.5 -7.0 217 443 A I S < S- 0 0 39 -3,-1.3 2,-0.4 2,-0.0 -1,-0.3 -0.889 70.3-125.0-115.1 139.1 15.9 48.2 -6.4 218 444 A D > - 0 0 98 -2,-0.4 3,-2.8 1,-0.1 4,-0.3 -0.703 21.3-128.3 -83.0 134.0 18.3 46.1 -8.3 219 445 A L G > S+ 0 0 34 -2,-0.4 3,-1.2 1,-0.3 4,-0.4 0.790 109.3 59.4 -50.2 -38.9 20.3 43.7 -6.2 220 446 A S G 3 S+ 0 0 89 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.698 105.3 56.6 -66.5 -12.8 23.7 44.9 -7.6 221 447 A Q G <> S+ 0 0 90 -3,-2.8 4,-1.7 1,-0.1 -1,-0.2 0.594 80.2 86.1 -93.7 -12.4 22.5 48.2 -6.2 222 448 A V H <> S+ 0 0 3 -3,-1.2 4,-2.7 -4,-0.3 5,-0.2 0.879 85.9 50.7 -67.1 -43.7 21.8 47.5 -2.4 223 449 A Y H > S+ 0 0 52 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.942 112.9 45.6 -58.1 -50.1 25.3 47.9 -0.9 224 450 A E H > S+ 0 0 113 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.865 114.8 49.5 -62.4 -35.4 25.8 51.4 -2.5 225 451 A L H <>S+ 0 0 34 -4,-1.7 5,-2.5 2,-0.2 -1,-0.2 0.901 109.0 50.5 -71.0 -40.9 22.3 52.4 -1.4 226 452 A L H ><5S+ 0 0 2 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.859 108.8 53.8 -62.7 -37.4 22.8 51.2 2.2 227 453 A E H 3<5S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.855 104.7 52.8 -68.1 -35.2 26.0 53.2 2.3 228 454 A K T 3<5S- 0 0 132 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.267 126.2-106.0 -80.1 10.0 24.1 56.3 1.1 229 455 A D T < 5 + 0 0 118 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.591 67.0 153.4 76.8 13.0 21.7 55.6 4.1 230 456 A Y < + 0 0 82 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.572 15.7 173.4 -65.8 133.1 18.8 54.3 2.0 231 457 A R - 0 0 21 -2,-0.2 16,-0.0 0, 0.0 -5,-0.0 -0.944 40.0 -84.9-133.6 159.2 16.6 51.9 4.1 232 458 A M - 0 0 2 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.314 50.2-113.9 -59.4 145.7 13.3 50.2 3.2 233 459 A E - 0 0 157 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.406 39.2 -80.7 -74.9 158.7 10.2 52.3 4.0 234 460 A R - 0 0 116 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.394 50.8-124.4 -57.1 123.8 7.6 51.5 6.6 235 461 A P > - 0 0 13 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.418 38.9 -81.2 -67.1 149.1 5.1 48.9 5.2 236 462 A E T 3 S+ 0 0 186 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.244 115.2 7.3 -48.6 128.0 1.4 49.7 5.2 237 463 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.1 -29,-0.0 0.473 89.4 146.4 76.8 2.3 -0.2 49.1 8.6 238 464 A C < - 0 0 7 -3,-2.1 -1,-0.2 1,-0.1 2,-0.1 -0.556 56.8-108.5 -73.4 129.5 3.1 48.5 10.4 239 465 A P >> - 0 0 65 0, 0.0 4,-2.1 0, 0.0 3,-2.0 -0.379 22.6-125.2 -60.5 127.9 3.1 49.7 14.0 240 466 A E H 3> S+ 0 0 164 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.819 110.9 50.2 -34.1 -52.0 5.4 52.8 14.5 241 467 A K H 3> S+ 0 0 123 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.711 108.7 53.0 -68.0 -23.2 7.4 51.1 17.2 242 468 A V H <> S+ 0 0 10 -3,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.907 109.9 46.9 -78.5 -47.6 8.0 48.0 15.1 243 469 A Y H X S+ 0 0 38 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.845 109.7 54.0 -57.6 -37.2 9.3 50.1 12.2 244 470 A E H X S+ 0 0 128 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.896 106.4 52.7 -67.4 -34.4 11.5 52.0 14.6 245 471 A L H X S+ 0 0 16 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.888 108.6 50.6 -61.7 -40.4 12.8 48.6 15.7 246 472 A M H X S+ 0 0 0 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.950 109.7 49.3 -59.1 -55.7 13.6 47.8 12.0 247 473 A R H < S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.769 110.7 51.0 -56.4 -32.2 15.5 51.1 11.6 248 474 A A H >< S+ 0 0 30 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.921 107.2 52.5 -71.3 -42.7 17.5 50.3 14.7 249 475 A C H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.666 108.0 55.5 -64.1 -18.5 18.4 46.8 13.5 250 476 A W T 3< S+ 0 0 1 -4,-0.9 -1,-0.3 -5,-0.1 2,-0.2 0.049 72.2 136.7-108.9 22.4 19.6 48.5 10.3 251 477 A Q < - 0 0 82 -3,-1.7 6,-0.1 1,-0.1 5,-0.1 -0.524 59.4-128.5 -62.5 135.5 22.1 50.9 11.9 252 478 A W S S+ 0 0 94 -2,-0.2 -69,-0.3 -26,-0.1 -1,-0.1 0.909 95.1 63.7 -52.4 -49.9 25.3 51.0 9.8 253 479 A N S > S- 0 0 71 1,-0.1 3,-1.8 -71,-0.1 4,-0.3 -0.737 79.9-143.6 -85.1 121.4 27.6 50.4 12.8 254 480 A P G > S+ 0 0 37 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.798 99.6 62.3 -51.3 -37.8 26.9 46.9 14.4 255 481 A S G 3 S+ 0 0 86 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.708 98.3 55.5 -67.6 -16.4 27.5 48.4 17.8 256 482 A D G < S+ 0 0 100 -3,-1.8 -1,-0.3 -5,-0.1 -6,-0.1 0.501 89.8 93.7 -91.6 -6.7 24.5 50.8 17.4 257 483 A R S < S- 0 0 4 -3,-1.3 -8,-0.2 -4,-0.3 -9,-0.0 -0.606 84.4-107.3 -82.9 145.4 22.2 48.0 16.7 258 484 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.301 28.7-114.1 -64.8 156.0 20.2 46.5 19.7 259 485 A S > - 0 0 23 1,-0.1 4,-1.7 -63,-0.0 5,-0.1 -0.411 29.5-111.5 -73.0 166.1 21.0 43.2 21.3 260 486 A F H > S+ 0 0 1 2,-0.2 4,-3.0 -135,-0.2 -134,-0.3 0.843 121.2 58.1 -68.5 -33.1 18.3 40.5 20.9 261 487 A A H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 109.7 44.7 -58.9 -45.1 17.8 40.8 24.7 262 488 A E H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.841 110.4 54.6 -64.9 -35.4 17.0 44.5 24.1 263 489 A I H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.925 108.2 48.4 -68.2 -44.3 14.8 43.6 21.1 264 490 A H H X S+ 0 0 31 -4,-3.0 4,-1.8 -142,-0.2 -2,-0.2 0.912 109.1 54.0 -59.3 -41.0 12.7 41.3 23.2 265 491 A Q H X S+ 0 0 97 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.881 103.8 55.7 -62.1 -38.8 12.4 44.0 25.9 266 492 A A H X S+ 0 0 34 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.906 107.5 49.8 -59.0 -42.2 11.1 46.4 23.2 267 493 A F H < S+ 0 0 13 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.896 112.6 46.5 -59.9 -39.1 8.4 43.8 22.4 268 494 A E H < S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.795 120.9 38.9 -69.7 -27.8 7.5 43.5 26.2 269 495 A T H < 0 0 109 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.383 360.0 360.0-108.8 -3.9 7.4 47.2 26.7 270 496 A M < 0 0 78 -4,-0.8 -1,-0.2 -3,-0.4 -29,-0.1 0.314 360.0 360.0 -72.8 360.0 5.9 48.5 23.5