==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUN-08 3DK6 . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR H.A.LEWIS . 523 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 64.1 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 . 72 13.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 0 1 2 2 0 0 1 0 3 0 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 3 2 4 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 . 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 0 103 0, 0.0 3,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.9 -15.2 85.0 52.3 2 234 A K T 3 + 0 0 105 1,-0.2 0, 0.0 64,-0.0 0, 0.0 0.627 360.0 59.5 -68.2 -14.4 -16.9 81.8 51.1 3 235 A W T 3 S+ 0 0 71 63,-0.1 64,-2.4 2,-0.1 -1,-0.2 0.751 77.5 106.1 -84.7 -28.3 -20.1 83.0 53.0 4 236 A E B < -a 67 0A 44 -3,-0.6 2,-0.3 62,-0.2 64,-0.2 -0.355 50.5-177.7 -66.0 126.2 -20.6 86.2 51.0 5 237 A M - 0 0 21 62,-3.0 2,-0.3 -2,-0.2 64,-0.1 -0.800 30.2-106.3-122.7 159.6 -23.5 86.0 48.6 6 238 A E > - 0 0 131 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.689 24.5-134.3 -81.5 140.3 -25.2 88.1 46.0 7 239 A R G > S+ 0 0 71 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.837 105.7 58.9 -61.4 -35.1 -28.6 89.6 47.0 8 240 A T G 3 S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.465 84.8 79.0 -78.5 -3.2 -30.1 88.5 43.7 9 241 A D G < S+ 0 0 60 -3,-1.3 20,-1.6 19,-0.1 2,-0.4 0.734 93.4 59.4 -69.6 -24.1 -29.2 84.9 44.3 10 242 A I E < -B 28 0A 9 -3,-1.2 2,-0.4 -4,-0.3 18,-0.2 -0.896 64.5-165.5-112.3 134.5 -32.3 84.7 46.5 11 243 A T E -B 27 0A 70 16,-1.8 16,-2.7 -2,-0.4 2,-0.4 -0.979 26.0-126.2-112.0 133.4 -35.9 85.4 45.6 12 244 A M E +B 26 0A 59 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.656 28.9 175.9 -82.7 126.8 -38.3 85.9 48.5 13 245 A K E - 0 0 113 12,-2.8 2,-0.3 -2,-0.4 13,-0.2 0.920 61.0 -4.9 -90.3 -68.5 -41.4 83.7 48.5 14 246 A H E -B 25 0A 110 11,-0.9 11,-3.9 0, 0.0 2,-0.4 -0.978 63.8-117.9-134.9 143.2 -43.4 84.3 51.7 15 247 A K E B 24 0A 77 -2,-0.3 9,-0.2 9,-0.3 7,-0.1 -0.670 360.0 360.0 -76.5 133.8 -43.0 86.4 54.9 16 248 A L 0 0 87 7,-2.6 4,-0.3 -2,-0.4 7,-0.3 -0.725 360.0 360.0 -91.7 360.0 -42.8 84.1 57.9 17 ! 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 18 251 A G > 0 0 89 0, 0.0 3,-0.6 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 67.6 -44.0 87.7 62.2 19 252 A Q T 3 + 0 0 117 1,-0.2 3,-0.1 3,-0.0 -3,-0.0 0.693 360.0 52.5 -75.3 -20.9 -42.9 86.7 65.7 20 253 A F T 3 S- 0 0 69 -4,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.483 109.1-124.6 -94.3 -5.8 -39.2 86.4 64.6 21 254 A G S < S+ 0 0 45 -3,-0.6 2,-1.7 -5,-0.2 -1,-0.3 -0.819 76.2 5.2 102.7-139.0 -39.1 89.8 63.0 22 255 A E S S+ 0 0 103 -2,-0.4 17,-3.0 17,-0.3 2,-0.4 -0.582 89.0 143.8 -84.0 76.5 -38.0 90.5 59.4 23 256 A V E - C 0 38A 25 -2,-1.7 -7,-2.6 -7,-0.3 2,-0.3 -0.974 25.1-174.7-124.7 129.7 -37.8 86.8 58.4 24 257 A Y E -BC 15 37A 63 13,-2.8 13,-2.9 -2,-0.4 2,-0.5 -0.903 29.8-123.6-127.0 148.3 -38.8 85.4 55.0 25 258 A E E +BC 14 36A 37 -11,-3.9 -12,-2.8 -2,-0.3 -11,-0.9 -0.786 48.0 172.8 -78.9 131.3 -39.1 82.1 53.2 26 259 A G E -BC 12 35A 0 9,-3.2 9,-3.0 -2,-0.5 2,-0.5 -0.835 31.5-120.3-137.3 173.3 -36.9 82.3 50.1 27 260 A V E -BC 11 34A 28 -16,-2.7 -16,-1.8 -2,-0.3 2,-1.3 -0.983 8.6-147.7-121.4 122.1 -35.5 80.4 47.2 28 261 A W E >>> -BC 10 33A 40 5,-3.3 5,-1.5 -2,-0.5 3,-1.0 -0.782 25.5-158.1 -79.4 95.6 -31.8 79.9 46.5 29 262 A K G >45S+ 0 0 105 -20,-1.6 3,-0.7 -2,-1.3 -1,-0.2 0.807 81.7 57.1 -52.7 -44.0 -32.4 79.9 42.7 30 263 A K G 345S+ 0 0 161 -21,-0.3 -1,-0.3 1,-0.2 -20,-0.1 0.876 120.1 30.0 -53.7 -43.4 -29.3 78.0 41.7 31 264 A Y G <45S- 0 0 134 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.386 100.0-127.5-100.0 1.0 -30.1 75.0 43.9 32 265 A S T <<5 + 0 0 105 -4,-0.9 2,-0.5 -3,-0.7 -3,-0.2 0.749 60.3 155.3 53.8 25.7 -33.9 75.3 43.7 33 266 A L E < -C 28 0A 78 -5,-1.5 -5,-3.3 1,-0.0 2,-0.4 -0.714 46.9-132.4 -94.4 126.2 -33.6 75.2 47.5 34 267 A T E +C 27 0A 56 -2,-0.5 46,-0.7 -7,-0.2 2,-0.3 -0.613 38.2 175.0 -70.0 128.0 -36.1 76.7 49.9 35 268 A V E -CD 26 79A 0 -9,-3.0 -9,-3.2 -2,-0.4 2,-0.4 -0.842 32.0-118.0-130.5 165.6 -34.2 78.8 52.5 36 269 A A E -CD 25 78A 13 42,-2.6 42,-2.8 -2,-0.3 2,-0.5 -0.907 28.0-162.2-104.6 139.4 -34.9 81.2 55.4 37 270 A V E -CD 24 77A 0 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.5 -0.976 8.5-159.4-128.3 119.9 -33.7 84.8 55.1 38 271 A K E -CD 23 76A 51 38,-3.0 38,-2.0 -2,-0.5 2,-0.3 -0.874 19.8-174.4 -95.0 126.4 -33.3 87.3 58.0 39 272 A T E D 0 75A 19 -17,-3.0 -17,-0.3 -2,-0.5 36,-0.2 -0.761 360.0 360.0-116.9 162.0 -33.3 90.9 56.8 40 273 A L 0 0 94 34,-0.8 34,-0.2 -2,-0.3 3,-0.0 -0.942 360.0 360.0-115.9 360.0 -32.7 94.2 58.6 41 ! 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 42 279 A E > 0 0 140 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-176.9 -29.3 97.9 64.7 43 280 A V H > + 0 0 57 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.908 360.0 46.6 -56.9 -52.3 -26.7 97.4 61.8 44 281 A E H > S+ 0 0 127 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.824 112.5 50.4 -66.3 -34.2 -23.7 96.5 63.9 45 282 A E H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 111.5 49.1 -67.2 -42.5 -25.6 94.0 66.1 46 283 A F H X S+ 0 0 4 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.887 110.1 50.2 -63.3 -43.5 -27.0 92.3 63.0 47 284 A L H X S+ 0 0 46 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.829 109.0 52.1 -68.3 -32.8 -23.6 92.0 61.3 48 285 A K H X S+ 0 0 124 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.884 104.0 57.5 -68.1 -40.3 -22.1 90.5 64.5 49 286 A E H X S+ 0 0 43 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.927 108.2 47.5 -50.1 -48.9 -25.0 87.9 64.5 50 287 A A H X S+ 0 0 1 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.848 110.1 52.3 -62.9 -38.7 -23.8 86.9 61.0 51 288 A A H < S+ 0 0 37 -4,-1.5 4,-0.4 2,-0.2 3,-0.3 0.902 110.5 47.2 -65.2 -44.5 -20.2 86.7 62.1 52 289 A V H >< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 4,-0.3 0.899 106.7 57.7 -63.9 -42.5 -21.0 84.4 65.0 53 290 A M H >< S+ 0 0 2 -4,-2.1 3,-1.0 1,-0.3 11,-0.4 0.754 94.1 66.8 -63.5 -26.8 -23.1 82.1 62.9 54 291 A K T 3< S+ 0 0 57 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.740 101.8 49.3 -62.0 -25.0 -20.2 81.4 60.5 55 292 A E T < S+ 0 0 96 -3,-1.7 2,-0.5 -4,-0.4 -1,-0.2 0.465 89.7 98.5 -95.9 -4.0 -18.5 79.6 63.4 56 293 A I < + 0 0 3 -3,-1.0 8,-0.4 -4,-0.3 2,-0.3 -0.770 38.6 160.3 -93.0 122.4 -21.5 77.4 64.3 57 294 A K + 0 0 148 -2,-0.5 5,-0.1 6,-0.1 6,-0.1 -0.764 20.8 123.6-144.4 92.7 -21.4 73.9 63.0 58 295 A H > - 0 0 26 3,-0.4 3,-1.8 -2,-0.3 55,-0.1 -0.988 61.6-124.0-151.1 140.6 -23.7 71.3 64.7 59 296 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.718 112.6 46.3 -57.6 -21.3 -26.5 69.0 63.5 60 297 A N T 3 S+ 0 0 16 49,-0.1 82,-2.8 81,-0.1 2,-0.4 0.113 97.5 78.3-115.3 19.7 -28.9 70.5 66.0 61 298 A L B < S-f 142 0B 1 -3,-1.8 -3,-0.4 80,-0.3 82,-0.2 -0.998 96.9 -97.3-122.4 133.9 -28.2 74.2 65.5 62 299 A V - 0 0 1 80,-1.6 2,-0.4 -2,-0.4 -2,-0.1 -0.244 45.8-124.5 -52.8 123.6 -29.7 76.0 62.4 63 300 A Q - 0 0 27 -4,-0.1 16,-1.9 1,-0.1 2,-0.2 -0.595 11.9-131.4 -83.1 127.1 -27.1 76.0 59.7 64 301 A L E + E 0 78A 3 -11,-0.4 14,-0.3 -2,-0.4 3,-0.1 -0.512 22.8 179.9 -67.0 138.5 -26.0 79.2 58.1 65 302 A L E - 0 0 48 12,-3.4 2,-0.3 1,-0.4 13,-0.2 0.656 58.5 -33.1-112.8 -28.8 -25.9 79.0 54.3 66 303 A G E - E 0 77A 0 11,-1.8 11,-3.1 -61,-0.0 -1,-0.4 -0.955 48.6-133.8 177.7 165.7 -24.7 82.5 53.3 67 304 A V E -aE 4 76A 0 -64,-2.4 -62,-3.0 -2,-0.3 2,-0.5 -0.972 6.5-152.9-136.0 148.9 -24.7 86.2 54.1 68 305 A C E + E 0 75A 2 7,-2.4 7,-1.5 -2,-0.3 -62,-0.1 -0.901 41.8 139.8-118.7 98.4 -25.2 89.5 52.2 69 306 A T + 0 0 28 -2,-0.5 -1,-0.1 5,-0.2 5,-0.1 0.342 43.2 85.9-124.9 2.3 -23.1 92.0 54.2 70 307 A R S S- 0 0 181 1,-0.3 4,-0.1 2,-0.0 -1,-0.0 0.919 103.9 -2.4 -74.8 -46.2 -21.4 94.3 51.7 71 308 A E S S- 0 0 63 2,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.986 95.3 -52.1-145.6 151.5 -24.2 96.8 51.2 72 309 A P S S+ 0 0 93 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.336 102.6 56.3 -64.4 149.5 -27.8 97.3 52.5 73 310 A P S S- 0 0 65 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.497 83.9-151.0 -77.9 143.3 -30.3 95.6 52.7 74 311 A F - 0 0 20 -34,-0.2 -34,-0.8 -5,-0.1 2,-0.4 -0.594 9.6-160.0 -88.2 140.2 -28.4 92.9 54.6 75 312 A Y E -DE 39 68A 29 -7,-1.5 -7,-2.4 -2,-0.3 2,-0.5 -0.930 16.6-167.3-118.5 142.0 -29.3 89.2 54.5 76 313 A I E -DE 38 67A 3 -38,-2.0 -38,-3.0 -2,-0.4 2,-0.5 -0.989 21.5-162.0-118.6 118.8 -28.6 86.2 56.8 77 314 A I E +DE 37 66A 0 -11,-3.1 -12,-3.4 -2,-0.5 -11,-1.8 -0.892 17.1 162.8-109.7 123.0 -29.5 83.1 54.8 78 315 A T E -DE 36 64A 9 -42,-2.8 -42,-2.6 -2,-0.5 -14,-0.2 -0.789 43.3 -74.9-128.5 171.4 -30.1 79.8 56.7 79 316 A E E -D 35 0A 43 -16,-1.9 2,-0.5 -2,-0.2 -44,-0.2 -0.287 49.4-116.1 -60.8 152.4 -31.7 76.3 56.1 80 317 A F - 0 0 50 -46,-0.7 2,-0.8 -45,-0.1 -1,-0.1 -0.847 15.8-150.6 -98.7 127.9 -35.4 76.2 56.2 81 318 A M > - 0 0 13 -2,-0.5 3,-1.7 1,-0.1 53,-0.2 -0.877 11.1-152.5-100.4 107.2 -37.1 74.1 58.9 82 319 A T T 3 S+ 0 0 67 -2,-0.8 53,-0.2 1,-0.3 -1,-0.1 0.735 85.7 47.0 -57.1 -34.9 -40.3 72.9 57.4 83 320 A Y T 3 S- 0 0 127 51,-2.2 -1,-0.3 1,-0.3 52,-0.2 0.412 96.2-143.3 -94.7 3.0 -42.5 72.5 60.5 84 321 A G < + 0 0 29 -3,-1.7 50,-3.0 50,-0.5 -1,-0.3 -0.313 53.7 5.5 74.1-153.9 -41.7 75.8 62.1 85 322 A N B > -G 133 0B 38 48,-0.2 4,-1.8 1,-0.1 48,-0.3 -0.299 62.5-128.6 -72.9 149.4 -41.3 76.4 65.9 86 323 A L H > S+ 0 0 0 46,-2.7 4,-2.7 43,-1.0 44,-0.2 0.814 102.8 61.6 -66.1 -34.3 -41.4 73.6 68.4 87 324 A L H > S+ 0 0 23 42,-1.0 4,-1.9 45,-0.3 -1,-0.2 0.956 110.7 37.7 -57.3 -55.7 -44.0 75.2 70.7 88 325 A D H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 114.2 58.2 -65.5 -35.5 -46.7 75.2 68.0 89 326 A Y H X S+ 0 0 29 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.916 108.9 44.2 -57.9 -46.2 -45.5 71.8 66.7 90 327 A L H < S+ 0 0 1 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.873 113.2 50.8 -68.1 -39.3 -46.1 70.3 70.2 91 328 A R H < S+ 0 0 121 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.839 119.3 36.1 -65.7 -33.9 -49.5 71.9 70.6 92 329 A E H < S+ 0 0 157 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.457 94.8 115.1-101.8 -3.8 -50.7 70.8 67.2 93 330 A C S < S- 0 0 29 -4,-0.9 2,-0.8 -3,-0.3 -3,-0.1 -0.080 74.2-108.3 -71.9 162.9 -49.1 67.3 66.9 94 331 A N >> - 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0 0 17 -2,-0.3 4,-1.3 -25,-0.2 -55,-0.2 -0.861 58.7 -88.4-149.6 179.8 -63.4 79.2 112.4 441 418 B I H > S+ 0 0 28 -27,-0.5 4,-1.8 -2,-0.3 5,-0.1 0.801 127.2 59.1 -65.6 -27.9 -64.7 82.8 112.0 442 419 B K H > S+ 0 0 44 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.785 101.7 51.5 -72.9 -28.7 -61.2 83.5 110.8 443 420 B S H > S+ 0 0 5 2,-0.2 4,-1.8 -3,-0.2 -13,-0.3 0.807 108.2 52.7 -73.6 -30.9 -61.5 81.0 108.0 444 421 B D H X S+ 0 0 2 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.863 105.0 55.6 -65.3 -38.4 -64.8 82.8 107.1 445 422 B V H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.908 106.3 50.4 -59.4 -44.7 -62.7 86.0 107.0 446 423 B W H X S+ 0 0 1 -4,-1.5 4,-1.3 1,-0.2 3,-0.3 0.931 110.9 48.4 -56.1 -49.2 -60.4 84.4 104.5 447 424 B A H X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.834 106.5 57.1 -63.0 -35.3 -63.4 83.4 102.3 448 425 B F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.858 102.2 56.1 -62.4 -38.0 -64.7 87.0 102.6 449 426 B G H X S+ 0 0 0 -4,-1.6 4,-1.2 -3,-0.3 -1,-0.2 0.868 109.4 45.4 -60.0 -39.9 -61.5 88.2 101.1 450 427 B V H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.872 110.5 54.1 -70.8 -39.9 -62.0 85.9 98.1 451 428 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.882 104.8 55.0 -58.5 -40.8 -65.6 87.1 98.0 452 429 B L H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.869 106.3 51.2 -58.1 -40.0 -64.3 90.7 97.8 453 430 B W H X S+ 0 0 14 -4,-1.2 4,-1.5 2,-0.2 7,-0.3 0.862 108.2 51.9 -65.6 -38.9 -62.2 89.7 94.8 454 431 B E H <>S+ 0 0 2 -4,-1.8 5,-3.2 2,-0.2 6,-0.4 0.878 112.1 46.0 -62.9 -42.2 -65.4 88.3 93.2 455 432 B I H ><5S+ 0 0 6 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.918 111.7 51.6 -64.6 -46.1 -67.2 91.5 93.8 456 433 B A H 3<5S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.767 114.6 41.8 -64.1 -30.3 -64.3 93.6 92.5 457 434 B T T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 3,-0.1 -2,-0.2 0.316 113.9-114.2 -99.8 5.7 -64.0 91.6 89.2 458 435 B Y T < 5S- 0 0 30 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.845 84.0 -34.2 58.2 38.8 -67.8 91.5 88.7 459 436 B G S S- 0 0 3 1,-0.2 3,-1.8 2,-0.1 -257,-0.1 0.920 89.5-150.3 46.8 56.2 -57.0 82.2 90.7 464 441 B P T 3 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.330 73.3 8.1 -61.6 130.1 -57.8 81.9 87.0 465 442 B G T 3 S+ 0 0 62 1,-0.3 2,-0.4 -3,-0.2 -259,-0.2 0.313 99.7 120.4 86.0 -7.9 -55.7 79.2 85.2 466 443 B I < - 0 0 6 -3,-1.8 -1,-0.3 -261,-0.2 -261,-0.1 -0.770 63.7-125.9 -93.6 132.1 -54.2 77.9 88.4 467 444 B D >> - 0 0 91 -2,-0.4 3,-2.4 -263,-0.2 4,-0.8 -0.623 16.5-126.1 -78.1 131.4 -54.8 74.2 89.3 468 445 B P H 3> S+ 0 0 57 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.697 106.4 68.2 -44.2 -29.1 -56.3 73.6 92.8 469 446 B S H 34 S+ 0 0 78 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.751 103.4 42.6 -67.3 -26.1 -53.4 71.2 93.6 470 447 B Q H <> S+ 0 0 19 -3,-2.4 4,-2.9 1,-0.1 5,-0.2 0.638 91.7 88.4 -93.1 -17.1 -50.9 74.1 93.6 471 448 B V H X S+ 0 0 0 -4,-0.8 4,-2.7 1,-0.2 5,-0.2 0.891 87.8 46.2 -50.3 -54.5 -53.1 76.5 95.6 472 449 B Y H X S+ 0 0 82 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.904 115.6 45.3 -58.2 -46.6 -52.0 75.4 99.1 473 450 B E H > S+ 0 0 60 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.925 112.6 51.4 -65.4 -45.1 -48.3 75.5 98.3 474 451 B L H <>S+ 0 0 2 -4,-2.9 5,-3.1 2,-0.2 -2,-0.2 0.930 112.1 46.7 -53.8 -49.0 -48.6 78.8 96.5 475 452 B L H ><5S+ 0 0 1 -4,-2.7 3,-1.3 3,-0.2 -2,-0.2 0.875 111.6 51.0 -63.0 -40.0 -50.4 80.3 99.5 476 453 B E H 3<5S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.885 107.4 53.9 -61.7 -39.8 -47.7 78.8 101.8 477 454 B K T 3<5S- 0 0 30 -4,-2.6 -1,-0.3 -5,-0.2 -260,-0.2 0.083 128.0-102.7 -84.4 23.0 -45.1 80.4 99.6 478 455 B D T < 5 + 0 0 86 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.585 67.8 155.4 67.8 17.3 -46.8 83.7 100.1 479 456 B Y < + 0 0 16 -5,-3.1 2,-0.3 -6,-0.2 -1,-0.2 -0.592 13.5 172.0 -72.9 131.3 -48.6 83.9 96.7 480 457 B R - 0 0 16 -2,-0.3 16,-0.0 -270,-0.0 -5,-0.0 -0.985 38.9 -91.1-137.6 148.8 -51.7 86.0 96.7 481 458 B M - 0 0 6 -2,-0.3 -275,-0.0 1,-0.1 2,-0.0 -0.262 48.3-110.3 -55.8 141.1 -54.0 87.2 93.9 482 459 B E - 0 0 85 1,-0.1 -1,-0.1 0, 0.0 -272,-0.0 -0.267 41.0 -83.7 -66.8 158.2 -53.1 90.6 92.4 483 460 B R - 0 0 117 1,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.523 53.9-120.1 -61.2 122.7 -55.2 93.7 92.9 484 461 B P > - 0 0 11 0, 0.0 3,-1.7 0, 0.0 2,-0.2 -0.268 36.0 -84.8 -62.9 153.9 -58.0 93.6 90.3 485 462 B E T 3 S+ 0 0 193 1,-0.2 0, 0.0 -28,-0.0 0, 0.0 -0.423 116.1 11.7 -60.1 127.9 -58.3 96.4 87.7 486 463 B G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -2,-0.2 -29,-0.0 0.300 91.9 135.9 86.6 -8.8 -60.3 99.3 89.1 487 464 B C < - 0 0 6 -3,-1.7 -1,-0.3 1,-0.1 -4,-0.0 -0.601 59.5-116.5 -75.2 124.8 -60.1 98.0 92.7 488 465 B P > - 0 0 69 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.289 17.5-123.7 -58.6 145.2 -59.3 100.7 95.2 489 466 B E H > S+ 0 0 106 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.864 111.6 53.7 -58.5 -39.7 -56.0 100.3 97.1 490 467 B K H > S+ 0 0 139 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.830 108.5 49.5 -66.6 -34.5 -57.8 100.4 100.5 491 468 B V H > S+ 0 0 12 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.915 112.3 47.4 -67.7 -45.2 -60.2 97.6 99.4 492 469 B Y H X S+ 0 0 21 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.828 105.7 59.1 -65.9 -33.9 -57.2 95.5 98.2 493 470 B E H X S+ 0 0 109 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.901 107.4 47.6 -56.9 -42.4 -55.4 96.2 101.5 494 471 B L H X S+ 0 0 27 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.871 107.8 54.6 -67.7 -40.0 -58.4 94.6 103.3 495 472 B M H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.918 110.3 46.8 -55.0 -47.5 -58.4 91.6 100.9 496 473 B R H < S+ 0 0 109 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.806 108.9 54.0 -69.2 -33.0 -54.7 91.0 101.8 497 474 B A H >< S+ 0 0 31 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.887 107.4 51.7 -65.3 -40.5 -55.4 91.4 105.5 498 475 B C H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.740 107.4 55.9 -63.4 -25.7 -58.1 88.7 105.1 499 476 B W T 3< S+ 0 0 0 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.101 73.0 139.3-100.1 20.4 -55.5 86.5 103.5 500 477 B Q < - 0 0 82 -3,-1.3 6,-0.2 1,-0.1 -3,-0.1 -0.429 56.7-131.4 -61.2 137.5 -52.9 86.6 106.3 501 478 B W S S+ 0 0 87 -2,-0.1 -69,-0.2 1,-0.1 -1,-0.1 0.909 95.1 63.5 -59.2 -46.9 -51.4 83.1 106.8 502 479 B N S >> S- 0 0 74 1,-0.1 3,-2.1 -70,-0.0 4,-0.6 -0.749 80.8-144.6 -82.9 115.7 -51.9 83.1 110.5 503 480 B P G >4 S+ 0 0 35 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.800 98.9 59.4 -48.3 -35.8 -55.7 83.3 111.3 504 481 B S G 34 S+ 0 0 83 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.697 98.8 58.3 -70.5 -19.6 -55.1 85.4 114.3 505 482 B D G <4 S+ 0 0 97 -3,-2.1 -1,-0.2 2,-0.1 -4,-0.1 0.638 88.1 94.9 -81.8 -17.3 -53.5 88.1 112.1 506 483 B R S << S- 0 0 3 -3,-0.9 -8,-0.2 -4,-0.6 -9,-0.1 -0.444 84.2-107.2 -71.7 147.6 -56.7 88.4 110.1 507 484 B P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.332 31.1-108.6 -74.1 159.6 -59.1 91.2 111.1 508 485 B S > - 0 0 26 1,-0.1 4,-2.2 -2,-0.0 5,-0.1 -0.412 27.4-113.0 -77.0 162.1 -62.4 90.6 112.8 509 486 B F H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -134,-0.3 0.784 119.7 59.4 -67.1 -26.7 -65.7 91.0 110.9 510 487 B A H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 108.7 43.6 -62.7 -43.2 -66.4 94.0 113.2 511 488 B E H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.871 115.1 48.7 -69.7 -41.4 -63.2 95.6 112.0 512 489 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.937 112.0 48.6 -62.1 -50.5 -63.9 94.7 108.3 513 490 B H H X S+ 0 0 22 -4,-2.8 4,-2.1 -142,-0.3 -2,-0.2 0.876 110.6 51.4 -59.0 -41.4 -67.5 96.1 108.6 514 491 B Q H X S+ 0 0 102 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.906 110.2 49.5 -61.3 -43.9 -66.3 99.3 110.2 515 492 B A H X S+ 0 0 31 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.911 114.0 44.0 -63.4 -45.4 -63.7 99.8 107.4 516 493 B F H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.814 110.5 56.0 -70.6 -31.6 -66.3 99.3 104.6 517 494 B E H X S+ 0 0 59 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.917 109.0 47.1 -63.4 -45.5 -68.9 101.4 106.4 518 495 B T H X S+ 0 0 51 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.930 114.5 46.0 -61.7 -49.1 -66.4 104.3 106.5 519 496 B M H X S+ 0 0 28 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.899 113.6 49.5 -60.7 -43.9 -65.5 103.9 102.8 520 497 B F H >< S+ 0 0 70 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.904 111.8 48.4 -61.8 -43.8 -69.2 103.6 101.8 521 498 B Q H 3< S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.788 113.5 46.6 -69.1 -30.0 -70.1 106.7 103.7 522 499 B E H 3< S+ 0 0 159 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.567 95.2 105.7 -85.7 -9.8 -67.3 108.8 102.2 523 500 B S << - 0 0 41 -4,-0.7 2,-0.1 -3,-0.6 -3,-0.0 -0.448 65.8-131.4 -82.6 141.5 -68.0 107.6 98.7 524 501 B S - 0 0 85 -2,-0.2 -163,-0.2 1,-0.1 -1,-0.1 -0.448 18.4-126.6 -77.8 161.0 -69.7 109.5 95.8 525 502 B I + 0 0 151 -2,-0.1 -166,-0.1 -164,-0.1 -1,-0.1 0.235 54.4 150.7 -95.2 13.2 -72.5 107.9 93.9 526 503 B S - 0 0 63 1,-0.1 -165,-0.4 -167,-0.0 -166,-0.4 -0.114 43.4-148.3 -50.1 136.4 -70.8 108.5 90.5 527 504 B D 0 0 94 -168,-0.1 -1,-0.1 -167,-0.1 -169,-0.1 0.433 360.0 360.0 -86.9 -1.2 -71.7 106.0 87.7 528 505 B E 0 0 118 -169,-0.0 -168,-0.2 -168,-0.0 0, 0.0 0.785 360.0 360.0 -91.6 360.0 -68.2 106.4 86.2