==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-07 2V7A . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MODUGNO,E.CASALE,C.SONCINI,P.ROSETTANI,R.COLOMBO,R.LUPI, . 539 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 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 . 26 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 4 2 0 0 2 2 0 0 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 2 4 2 3 2 3 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 . 4 0 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 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 1 233 A D > 0 0 106 0, 0.0 3,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.6 -33.8 -26.5 -18.2 2 234 A K T 3 + 0 0 188 1,-0.3 0, 0.0 69,-0.0 0, 0.0 0.571 360.0 54.6 -56.9 -17.8 -31.6 -29.5 -19.0 3 235 A W T 3 S+ 0 0 54 68,-0.1 69,-2.3 2,-0.0 -1,-0.3 0.660 84.2 103.7 -91.1 -17.0 -34.0 -32.3 -17.8 4 236 A E B < +a 72 0A 39 -3,-1.9 2,-0.3 67,-0.2 69,-0.2 -0.388 46.2 169.4 -70.7 142.9 -36.9 -31.1 -20.0 5 237 A M - 0 0 27 67,-1.9 2,-0.5 -2,-0.1 69,-0.1 -0.944 38.8 -81.4-149.1 166.4 -37.8 -33.1 -23.1 6 238 A E > - 0 0 132 -2,-0.3 3,-2.6 1,-0.1 4,-0.3 -0.606 26.5-139.4 -80.0 120.2 -40.5 -33.4 -25.7 7 239 A R G > S+ 0 0 58 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.783 101.2 66.2 -36.2 -38.6 -43.6 -35.5 -24.8 8 240 A T G 3 S+ 0 0 95 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.593 83.5 72.8 -74.1 -9.9 -43.5 -36.9 -28.4 9 241 A D G < S+ 0 0 46 -3,-2.6 21,-2.4 21,-0.1 2,-0.4 0.692 93.1 68.2 -67.8 -21.0 -40.2 -38.7 -27.7 10 242 A I E < -B 29 0A 16 -3,-1.5 2,-0.4 -4,-0.3 19,-0.2 -0.850 60.8-168.9-111.0 133.0 -42.0 -41.2 -25.6 11 243 A T E -B 28 0A 66 17,-1.7 17,-2.2 -2,-0.4 2,-0.2 -0.987 25.5-124.3-114.2 137.0 -44.6 -43.9 -26.5 12 244 A M E +B 27 0A 58 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.555 28.6 174.4 -76.6 139.1 -46.6 -45.7 -23.9 13 245 A K E - 0 0 109 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.804 59.7 -12.4-108.4 -54.7 -46.5 -49.4 -23.9 14 246 A H E -B 26 0A 107 12,-1.9 12,-3.0 0, 0.0 -1,-0.4 -0.994 62.8-107.2-149.3 150.4 -48.4 -50.7 -20.8 15 247 A K E -B 25 0A 153 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.576 28.3-168.5 -69.3 139.9 -50.0 -49.5 -17.6 16 248 A L - 0 0 77 8,-3.6 9,-0.2 -2,-0.2 -1,-0.1 0.739 20.0-146.2-102.6 -25.3 -47.8 -50.6 -14.7 17 249 A G + 0 0 37 7,-0.7 -1,-0.1 1,-0.1 0, 0.0 -0.298 63.8 98.9 83.2-177.3 -50.0 -49.9 -11.7 18 250 A G + 0 0 90 1,-0.2 5,-0.1 -2,-0.1 -1,-0.1 0.403 55.2 143.4 83.1 -0.9 -48.6 -48.8 -8.3 19 251 A G - 0 0 37 1,-0.1 -1,-0.2 5,-0.1 4,-0.1 -0.303 35.3-170.6 -77.4 158.2 -49.2 -45.1 -8.8 20 252 A Q S S+ 0 0 129 2,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.813 88.5 20.4-108.8 -58.2 -50.3 -42.5 -6.3 21 253 A Y S S- 0 0 32 1,-0.2 21,-1.9 19,-0.1 2,-0.3 0.458 134.3 -22.4 -92.0 -5.6 -51.1 -39.3 -8.2 22 254 A G S S- 0 0 13 19,-0.2 -1,-0.2 21,-0.0 -2,-0.2 -0.969 88.3 -47.8 172.9 173.5 -51.7 -41.0 -11.6 23 255 A E - 0 0 63 -2,-0.3 17,-2.3 -4,-0.1 2,-0.5 -0.241 43.4-142.8 -66.9 151.2 -51.0 -44.0 -13.7 24 256 A V E - C 0 39A 20 15,-0.2 -8,-3.6 -5,-0.1 -7,-0.7 -0.982 23.4-160.9-116.7 123.7 -47.4 -45.3 -14.1 25 257 A Y E -BC 15 38A 66 13,-3.0 13,-3.0 -2,-0.5 2,-0.6 -0.779 25.5-135.1-112.4 147.6 -46.5 -46.5 -17.5 26 258 A E E +BC 14 37A 35 -12,-3.0 -13,-3.1 -2,-0.3 -12,-1.9 -0.902 48.5 162.3 -83.4 122.0 -43.9 -48.7 -19.2 27 259 A G E -BC 12 36A 0 9,-2.3 9,-2.4 -2,-0.6 2,-0.4 -0.726 35.7-118.0-133.3-178.0 -42.9 -46.7 -22.2 28 260 A V E -BC 11 35A 32 -17,-2.2 -17,-1.7 7,-0.2 2,-1.2 -0.988 9.8-141.9-132.2 119.8 -40.2 -46.4 -24.8 29 261 A W E >>> -BC 10 34A 29 5,-2.9 5,-1.4 -2,-0.4 3,-1.3 -0.721 29.2-156.0 -72.7 98.4 -37.9 -43.4 -25.4 30 262 A K G >45S+ 0 0 111 -21,-2.4 3,-0.8 -2,-1.2 -1,-0.2 0.835 81.8 53.4 -58.0 -42.2 -38.0 -43.9 -29.2 31 263 A K G 345S+ 0 0 150 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.775 119.0 35.6 -68.7 -21.8 -34.8 -42.3 -30.2 32 264 A Y G <45S- 0 0 136 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.427 101.0-128.1-106.6 -1.6 -32.7 -44.4 -27.8 33 265 A S T <<5 + 0 0 110 -4,-0.9 2,-0.6 -3,-0.8 -3,-0.2 0.769 59.7 150.4 59.1 28.7 -34.7 -47.6 -28.1 34 266 A L E < -C 29 0A 77 -5,-1.4 -5,-2.9 50,-0.0 2,-0.3 -0.810 48.5-137.1-106.0 121.3 -34.9 -47.6 -24.3 35 267 A T E +C 28 0A 49 -2,-0.6 50,-0.7 -7,-0.2 2,-0.3 -0.568 36.4 173.0 -61.4 135.4 -37.7 -48.9 -22.1 36 268 A V E -CD 27 84A 0 -9,-2.4 -9,-2.3 -2,-0.3 2,-0.4 -0.886 33.3-114.7-138.2 164.2 -38.4 -46.4 -19.4 37 269 A A E -CD 26 83A 15 46,-3.7 46,-2.9 -2,-0.3 2,-0.5 -0.908 27.5-160.1-103.6 141.4 -40.9 -45.9 -16.6 38 270 A V E -CD 25 82A 0 -13,-3.0 -13,-3.0 -2,-0.4 2,-0.5 -0.933 4.3-160.2-128.2 111.6 -43.2 -42.9 -16.9 39 271 A K E -CD 24 81A 36 42,-3.0 42,-2.1 -2,-0.5 2,-0.3 -0.774 18.4-164.3 -91.6 126.8 -45.0 -41.5 -13.9 40 272 A T E - D 0 80A 17 -17,-2.3 2,-0.5 -2,-0.5 40,-0.2 -0.773 14.8-132.6-114.5 156.7 -48.0 -39.4 -14.9 41 273 A L - 0 0 9 38,-1.4 2,-0.5 -2,-0.3 38,-0.4 -0.937 21.5-125.0-110.3 122.9 -50.2 -36.8 -13.1 42 274 A K > - 0 0 114 -21,-1.9 3,-1.4 -2,-0.5 6,-0.0 -0.557 23.4-134.5 -56.0 110.8 -54.0 -36.9 -13.3 43 275 A E T 3 S+ 0 0 157 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.714 98.0 66.3 -39.4 -32.2 -54.8 -33.3 -14.7 44 276 A D T 3 S+ 0 0 134 2,-0.0 2,-0.3 3,-0.0 -1,-0.3 0.023 81.1 93.1 -91.9 23.4 -57.6 -33.1 -12.0 45 277 A T < - 0 0 18 -3,-1.4 3,-0.2 -24,-0.1 -24,-0.0 -0.768 62.1-148.8-106.0 158.9 -55.5 -33.1 -8.8 46 278 A M S > S+ 0 0 156 -2,-0.3 3,-0.5 1,-0.1 4,-0.2 0.098 83.1 96.2-104.0 17.5 -54.1 -30.2 -6.8 47 279 A E T 3> + 0 0 78 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.051 44.2 114.9 -89.9 24.7 -51.2 -32.5 -5.9 48 280 A V H 3> S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 71.8 56.2 -57.0 -42.8 -49.2 -30.9 -8.8 49 281 A E H <> S+ 0 0 130 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.915 108.5 43.2 -58.2 -50.4 -46.8 -29.5 -6.2 50 282 A E H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.927 112.8 53.1 -68.6 -45.7 -45.9 -32.8 -4.6 51 283 A F H X S+ 0 0 3 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.907 112.2 45.2 -49.7 -47.3 -45.6 -34.5 -7.9 52 284 A L H X S+ 0 0 58 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.780 105.9 61.5 -71.6 -24.3 -43.2 -31.8 -9.1 53 285 A K H X S+ 0 0 86 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.895 100.2 54.4 -67.6 -40.9 -41.3 -32.0 -5.8 54 286 A E H X S+ 0 0 6 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.919 110.0 47.4 -55.0 -46.4 -40.4 -35.6 -6.5 55 287 A A H X S+ 0 0 3 -4,-1.2 4,-1.1 1,-0.2 -2,-0.2 0.905 108.8 53.6 -65.6 -41.1 -39.0 -34.5 -9.8 56 288 A A H < S+ 0 0 47 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.886 109.3 48.8 -64.0 -38.9 -37.0 -31.6 -8.3 57 289 A V H >< S+ 0 0 18 -4,-2.1 3,-1.5 1,-0.2 4,-0.4 0.868 104.4 58.1 -67.7 -39.5 -35.3 -33.9 -5.8 58 290 A M H >< S+ 0 0 3 -4,-1.8 3,-0.5 1,-0.3 11,-0.4 0.758 98.0 61.9 -69.1 -22.1 -34.3 -36.5 -8.4 59 291 A K T 3< S+ 0 0 58 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.755 104.9 49.1 -66.1 -23.0 -32.4 -33.9 -10.3 60 292 A E T < S+ 0 0 131 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.460 103.4 63.3-103.9 -3.0 -30.1 -33.4 -7.3 61 293 A I < + 0 0 11 -3,-0.5 2,-0.3 -4,-0.4 8,-0.3 -0.880 49.1 171.7-125.0 153.3 -29.2 -37.0 -6.5 62 294 A K + 0 0 154 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.808 15.2 136.0-165.2 123.2 -27.2 -39.8 -8.3 63 295 A H > - 0 0 28 3,-0.4 3,-2.3 -2,-0.3 55,-0.1 -0.948 59.0-109.7-168.4 141.9 -26.0 -43.2 -7.2 64 296 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 54,-0.0 0.715 118.9 46.4 -52.9 -23.1 -26.0 -46.7 -8.6 65 297 A N T 3 S+ 0 0 17 49,-0.1 82,-2.2 2,-0.1 2,-0.4 0.084 93.7 84.2-115.0 24.4 -28.6 -47.8 -6.0 66 298 A L B < S-f 147 0B 2 -3,-2.3 -3,-0.4 80,-0.2 82,-0.2 -0.994 92.6-106.9-119.8 124.4 -31.0 -44.9 -6.4 67 299 A V - 0 0 7 80,-2.7 2,-0.4 -2,-0.4 -2,-0.1 -0.208 46.8-118.9 -54.5 136.0 -33.6 -45.2 -9.2 68 300 A Q - 0 0 43 -4,-0.1 16,-2.3 -6,-0.1 2,-0.2 -0.683 9.7-133.4 -95.4 127.8 -32.4 -42.7 -11.9 69 301 A L E + E 0 83A 3 -2,-0.4 14,-0.3 -11,-0.4 3,-0.1 -0.533 21.9 179.2 -65.6 136.0 -34.2 -39.7 -13.3 70 302 A L E - 0 0 50 12,-3.3 2,-0.3 1,-0.4 13,-0.2 0.713 56.3 -50.7-110.8 -35.3 -34.0 -39.6 -17.1 71 303 A G E - E 0 82A 0 11,-1.3 11,-2.9 -66,-0.0 -1,-0.4 -0.958 47.7-122.4 178.3 178.7 -36.0 -36.5 -17.9 72 304 A V E -aE 4 81A 0 -69,-2.3 -67,-1.9 -2,-0.3 2,-0.4 -0.946 4.5-150.8-136.3 157.8 -39.3 -34.6 -17.3 73 305 A C E + E 0 80A 2 7,-2.2 7,-2.2 -2,-0.3 -67,-0.1 -0.911 42.4 138.6-125.6 102.1 -42.2 -33.2 -19.3 74 306 A T + 0 0 33 -2,-0.4 5,-0.1 5,-0.2 -1,-0.1 -0.109 35.6 95.2-142.4 37.3 -43.5 -30.2 -17.2 75 307 A R S S- 0 0 158 1,-0.4 -1,-0.1 2,-0.1 4,-0.1 0.364 105.0 -19.0-103.2 1.3 -44.3 -27.3 -19.5 76 308 A E S S- 0 0 86 2,-0.1 -1,-0.4 -3,-0.1 0, 0.0 -0.804 95.8 -15.1 166.5 158.6 -48.0 -28.4 -19.6 77 309 A P S S+ 0 0 70 0, 0.0 -35,-0.1 0, 0.0 -2,-0.1 0.072 103.0 40.0 -59.1 165.3 -50.3 -31.4 -19.0 78 310 A P S S- 0 0 60 0, 0.0 -36,-0.1 0, 0.0 2,-0.1 0.726 84.6-145.4 -70.2 139.2 -50.2 -34.3 -18.6 79 311 A F - 0 0 33 -38,-0.4 -38,-1.4 -5,-0.1 2,-0.4 -0.409 15.8-161.7 -69.6 144.1 -47.0 -34.0 -16.5 80 312 A Y E -DE 40 73A 31 -7,-2.2 -7,-2.2 -40,-0.2 2,-0.5 -0.988 18.3-167.8-128.6 138.6 -44.4 -36.8 -16.9 81 313 A I E -DE 39 72A 0 -42,-2.1 -42,-3.0 -2,-0.4 2,-0.5 -0.999 20.1-153.7-118.2 125.2 -41.5 -37.9 -14.8 82 314 A I E +DE 38 71A 0 -11,-2.9 -12,-3.3 -2,-0.5 -11,-1.3 -0.873 19.1 172.1-107.5 129.1 -39.3 -40.3 -16.7 83 315 A I E -DE 37 69A 11 -46,-2.9 -46,-3.7 -2,-0.5 -14,-0.2 -0.951 40.6 -84.9-139.3 146.5 -37.3 -42.9 -14.8 84 316 A E E -D 36 0A 44 -16,-2.3 2,-0.5 -2,-0.3 -48,-0.2 -0.166 51.5-112.6 -49.0 143.1 -35.0 -45.9 -15.6 85 317 A F - 0 0 52 -50,-0.7 2,-0.6 -58,-0.0 -1,-0.1 -0.737 23.5-159.3 -85.7 125.9 -37.1 -49.1 -15.9 86 318 A M > - 0 0 16 -2,-0.5 3,-1.2 1,-0.1 53,-0.2 -0.951 9.5-152.3-107.3 119.0 -36.6 -51.7 -13.2 87 319 A T T 3 S+ 0 0 68 -2,-0.6 53,-0.2 1,-0.3 -1,-0.1 0.733 84.7 48.4 -72.8 -28.3 -37.8 -55.0 -14.7 88 320 A Y T 3 S- 0 0 114 51,-2.2 -1,-0.3 1,-0.2 52,-0.2 0.479 92.5-146.9 -92.6 -1.1 -38.8 -56.9 -11.6 89 321 A G < + 0 0 29 -3,-1.2 50,-2.2 50,-0.5 -1,-0.2 -0.292 53.9 13.1 68.0-151.9 -40.9 -54.2 -9.8 90 322 A N B > -G 138 0B 42 48,-0.2 4,-2.1 1,-0.1 48,-0.3 -0.197 60.6-132.6 -73.3 147.8 -41.2 -53.7 -6.1 91 323 A L H > S+ 0 0 0 46,-2.3 4,-2.5 43,-1.0 44,-0.2 0.880 102.6 59.7 -63.6 -36.5 -38.9 -55.4 -3.5 92 324 A L H > S+ 0 0 26 42,-0.6 4,-2.0 45,-0.3 -1,-0.2 0.928 110.9 37.8 -56.9 -54.6 -41.8 -56.6 -1.3 93 325 A D H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.871 112.6 60.5 -67.4 -33.9 -43.5 -58.7 -4.0 94 326 A Y H X S+ 0 0 30 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.921 108.0 44.1 -58.6 -42.4 -40.1 -59.7 -5.2 95 327 A L H < S+ 0 0 1 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.896 112.7 50.7 -69.5 -39.9 -39.3 -61.3 -1.8 96 328 A R H < S+ 0 0 122 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 119.5 36.3 -63.6 -30.5 -42.7 -62.9 -1.4 97 329 A E H < S+ 0 0 153 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.486 93.1 108.5-104.7 -8.6 -42.5 -64.6 -4.8 98 330 A C S < S- 0 0 33 -4,-0.9 2,-0.7 -3,-0.3 -3,-0.1 -0.044 74.9-106.7 -75.4 172.7 -38.9 -65.5 -5.2 99 331 A N >> - 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0 0 14 -2,-0.3 4,-1.8 -25,-0.2 3,-0.4 -0.900 60.8 -89.0-150.5 178.0 48.8 -55.3 3.2 456 418 B I H > S+ 0 0 36 -27,-0.5 4,-2.0 -2,-0.3 5,-0.1 0.879 129.3 58.4 -62.1 -33.2 51.5 -52.6 2.8 457 419 B K H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.787 101.6 51.9 -63.5 -32.8 53.6 -55.6 1.5 458 420 B S H > S+ 0 0 4 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.855 108.0 52.8 -71.2 -31.6 51.0 -56.1 -1.3 459 421 B D H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.879 105.8 54.0 -64.4 -37.7 51.4 -52.4 -2.0 460 422 B V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.940 107.1 51.1 -61.7 -44.9 55.1 -53.1 -2.3 461 423 B W H >X S+ 0 0 1 -4,-1.9 4,-1.5 1,-0.2 3,-0.6 0.968 110.8 47.5 -54.0 -53.7 54.3 -55.8 -4.8 462 424 B A H 3X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.886 106.7 57.8 -59.1 -38.3 52.2 -53.4 -6.9 463 425 B F H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.871 101.5 57.0 -58.2 -37.5 54.9 -50.7 -6.7 464 426 B G H S+ 0 0 2 -4,-2.1 5,-2.8 2,-0.2 4,-0.6 0.935 112.9 48.2 -56.6 -48.2 55.4 -49.4 -16.2 470 432 B I H ><5S+ 0 0 5 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.972 111.5 47.9 -58.0 -54.4 57.8 -46.5 -15.5 471 433 B A H 3<5S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.700 116.9 44.5 -65.8 -17.3 60.8 -48.2 -17.0 472 434 B T H 3<5S- 0 0 8 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.380 110.7-116.5-105.8 1.6 58.8 -49.2 -20.1 473 435 B Y T <<5S- 0 0 29 -3,-1.9 -3,-0.2 -4,-0.6 -2,-0.1 0.890 82.0 -38.5 60.7 40.3 57.1 -45.9 -20.7 474 436 B G S S- 0 0 4 1,-0.2 3,-1.5 2,-0.1 2,-0.1 0.944 90.3-151.7 49.9 54.6 53.0 -59.6 -18.6 479 441 B P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.352 71.1 8.8 -64.4 130.9 52.3 -58.9 -22.3 480 442 B G T 3 S+ 0 0 89 1,-0.3 2,-0.4 -3,-0.2 -2,-0.1 0.151 97.2 119.9 91.7 -20.3 50.8 -61.8 -24.2 481 443 B I < - 0 0 34 -3,-1.5 -1,-0.3 -4,-0.1 2,-0.1 -0.668 65.9-122.4 -84.0 128.4 50.2 -63.9 -21.0 482 444 B D >> - 0 0 106 -2,-0.4 3,-2.5 1,-0.1 4,-0.6 -0.451 18.8-120.5 -70.8 141.2 46.5 -64.7 -20.4 483 445 B L T 34 S+ 0 0 93 1,-0.3 4,-0.4 2,-0.2 3,-0.2 0.664 109.5 67.5 -53.7 -18.6 45.1 -63.6 -17.1 484 446 B S T 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.654 100.6 45.8 -81.3 -12.7 44.4 -67.2 -16.2 485 447 B Q T <> S+ 0 0 93 -3,-2.5 4,-2.8 2,-0.1 5,-0.2 0.601 87.0 90.2 -99.8 -14.4 48.1 -68.2 -16.0 486 448 B V H X S+ 0 0 2 -4,-0.6 4,-2.7 -3,-0.2 5,-0.2 0.895 86.4 45.2 -57.6 -52.4 49.5 -65.3 -13.9 487 449 B Y H > S+ 0 0 79 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.940 116.0 46.3 -62.4 -50.3 49.0 -66.7 -10.4 488 450 B E H > S+ 0 0 95 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.895 112.4 50.8 -54.6 -44.3 50.4 -70.1 -11.2 489 451 B L H <>S+ 0 0 58 -4,-2.8 5,-2.9 1,-0.2 -2,-0.2 0.914 112.3 46.9 -62.2 -43.1 53.4 -68.6 -13.1 490 452 B L H ><5S+ 0 0 1 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.2 0.900 110.0 53.0 -62.0 -42.8 54.2 -66.4 -10.2 491 453 B E H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.2 49.6 -63.4 -28.8 53.8 -69.4 -7.8 492 454 B K T 3<5S- 0 0 132 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.141 126.2-100.9-103.1 19.3 56.3 -71.2 -10.0 493 455 B D T < 5 + 0 0 122 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.435 67.3 149.4 85.4 5.8 58.7 -68.3 -10.0 494 456 B Y < + 0 0 95 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.3 -0.517 19.3 174.4 -62.8 136.7 58.2 -66.7 -13.3 495 457 B R - 0 0 27 -2,-0.2 16,-0.0 0, 0.0 -5,-0.0 -0.981 38.4 -90.6-140.6 150.3 58.9 -62.9 -13.1 496 458 B M - 0 0 4 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.243 48.2-116.5 -54.8 141.9 58.9 -60.2 -15.7 497 459 B E - 0 0 157 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.474 40.6 -76.0 -82.5 155.8 62.3 -59.7 -17.3 498 460 B R - 0 0 131 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.285 51.8-120.6 -48.2 119.2 64.4 -56.5 -17.1 499 461 B P > - 0 0 12 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.418 39.7 -90.2 -62.7 141.4 63.0 -53.9 -19.4 500 462 B E T 3 S+ 0 0 191 1,-0.3 -3,-0.0 -2,-0.1 0, 0.0 -0.345 114.5 15.4 -56.5 126.1 65.5 -52.7 -22.0 501 463 B G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.1 -29,-0.0 0.211 89.9 135.9 93.6 -13.4 67.5 -49.7 -20.7 502 464 B C < - 0 0 3 -3,-2.2 -1,-0.3 1,-0.1 5,-0.1 -0.525 60.6-114.0 -70.4 123.7 66.4 -50.4 -17.1 503 465 B P > - 0 0 69 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.212 19.4-118.6 -61.5 148.5 69.4 -50.0 -14.7 504 466 B E H > S+ 0 0 143 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.861 112.4 51.4 -52.0 -42.7 70.6 -53.2 -12.9 505 467 B K H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.874 109.1 48.8 -68.1 -38.7 69.9 -51.7 -9.5 506 468 B V H > S+ 0 0 10 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.908 110.0 52.3 -66.8 -42.1 66.3 -50.6 -10.3 507 469 B Y H X S+ 0 0 33 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.882 106.3 54.3 -58.4 -40.7 65.6 -54.1 -11.7 508 470 B E H X S+ 0 0 98 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.876 107.2 51.1 -61.0 -39.8 66.9 -55.6 -8.5 509 471 B L H X S+ 0 0 27 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.929 107.7 52.6 -63.2 -45.4 64.5 -53.5 -6.6 510 472 B M H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 3,-0.2 0.958 111.3 46.3 -48.5 -56.7 61.6 -54.7 -8.8 511 473 B R H >< S+ 0 0 115 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.834 108.8 55.0 -59.4 -36.5 62.5 -58.3 -8.1 512 474 B A H >< S+ 0 0 31 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.888 105.6 52.5 -67.6 -38.5 62.8 -57.6 -4.4 513 475 B C H 3< S+ 0 0 1 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.688 106.7 57.1 -63.5 -21.8 59.3 -56.2 -4.4 514 476 B W T << S+ 0 0 2 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.059 72.1 138.6-103.6 24.4 58.2 -59.5 -6.1 515 477 B Q < - 0 0 87 -3,-1.3 6,-0.1 1,-0.1 -3,-0.0 -0.428 58.2-129.8 -60.7 141.3 59.5 -61.9 -3.5 516 478 B W S S+ 0 0 76 4,-0.1 -69,-0.2 -70,-0.1 -1,-0.1 0.915 93.2 67.1 -59.4 -46.2 56.9 -64.6 -3.0 517 479 B N S >> S- 0 0 82 1,-0.1 3,-2.3 -70,-0.0 4,-0.6 -0.681 80.9-140.3 -84.7 120.5 56.8 -64.2 0.9 518 480 B P G >4 S+ 0 0 44 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.859 102.3 52.2 -47.0 -38.5 55.3 -60.8 1.9 519 481 B S G 34 S+ 0 0 104 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.587 98.6 63.5 -81.7 -8.2 57.9 -60.4 4.7 520 482 B D G <4 S+ 0 0 90 -3,-2.3 -1,-0.3 2,-0.1 -6,-0.1 0.541 86.3 95.3 -82.4 -11.4 60.9 -61.0 2.3 521 483 B R S << S- 0 0 6 -3,-1.2 -8,-0.2 -4,-0.6 -9,-0.1 -0.567 83.9-108.3 -79.1 145.4 59.9 -57.8 0.4 522 484 B P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.193 30.8-111.3 -66.4 163.9 61.6 -54.5 1.2 523 485 B S > - 0 0 23 1,-0.1 4,-2.7 -63,-0.0 5,-0.1 -0.553 25.3-114.2 -85.1 160.9 59.8 -51.7 3.1 524 486 B F H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -134,-0.3 0.748 119.1 59.6 -66.5 -25.2 58.9 -48.4 1.3 525 487 B A H > S+ 0 0 34 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.954 109.5 42.5 -65.1 -47.7 61.4 -46.7 3.7 526 488 B E H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.927 116.2 48.9 -62.9 -44.0 64.1 -49.0 2.3 527 489 B I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.925 112.6 46.6 -61.0 -47.2 62.8 -48.5 -1.2 528 490 B H H X S+ 0 0 21 -4,-3.1 4,-3.2 -142,-0.3 -1,-0.2 0.926 110.4 53.6 -61.3 -45.9 62.7 -44.7 -0.9 529 491 B Q H X S+ 0 0 112 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.970 110.0 47.7 -51.1 -60.1 66.2 -44.7 0.7 530 492 B A H X S+ 0 0 30 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.858 114.7 45.4 -49.9 -46.3 67.6 -46.6 -2.3 531 493 B F H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.893 110.7 53.9 -65.6 -40.3 65.9 -44.4 -4.8 532 494 B E H X S+ 0 0 76 -4,-3.2 4,-1.5 2,-0.2 3,-0.4 0.953 109.7 47.6 -58.6 -53.1 67.0 -41.3 -3.0 533 495 B T H >X S+ 0 0 68 -4,-2.8 4,-1.5 1,-0.2 3,-1.1 0.969 114.3 47.5 -44.9 -62.9 70.6 -42.4 -3.1 534 496 B M H 3X S+ 0 0 11 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.725 107.5 56.3 -53.4 -32.0 70.3 -43.2 -6.8 535 497 B F H 3X S+ 0 0 42 -4,-2.0 4,-0.9 -3,-0.4 -1,-0.2 0.785 104.7 50.5 -78.6 -29.8 68.6 -39.9 -7.7 536 498 B Q H << S+ 0 0 112 -4,-1.5 -2,-0.2 -3,-1.1 -1,-0.2 0.856 111.8 47.8 -74.5 -37.0 71.4 -37.7 -6.2 537 499 B E H >< S+ 0 0 94 -4,-1.5 3,-1.0 1,-0.2 -2,-0.2 0.773 107.7 55.1 -74.7 -27.1 74.1 -39.6 -8.2 538 500 B S H 3< S+ 0 0 48 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.766 97.7 63.1 -76.0 -27.8 72.1 -39.4 -11.5 539 501 B S T 3< 0 0 77 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.149 360.0 360.0 -78.0 14.8 72.0 -35.6 -11.0 540 502 B I < 0 0 185 -3,-1.0 -2,-0.2 -5,-0.0 -3,-0.1 0.383 360.0 360.0-117.3 360.0 75.8 -36.0 -11.3