==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-SEP-10 3OXZ . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ABL1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.ZHOU,W.S.HUANG,Y.WANG,M.THOMAS,J.KEATS,Q.XU,V.RIVERA, . 268 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 66.4 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 . 30 11.2 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 . 2 0.7 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 . 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 . 12 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 1 0 0 2 0 0 0 0 0 1 0 0 0 1 0 0 0 0 1 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 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 228 A G 0 0 104 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.9 7.1 -34.5 24.8 2 229 A S > - 0 0 91 1,-0.0 3,-1.9 0, 0.0 0, 0.0 -0.906 360.0 -96.6-137.3 166.0 10.3 -35.6 26.5 3 230 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.784 119.4 37.5 -59.6 -35.5 12.0 -34.4 29.7 4 231 A N T 3 S+ 0 0 124 2,-0.0 2,-0.2 -3,-0.0 0, 0.0 0.109 86.1 135.9-105.0 21.0 14.5 -32.0 28.2 5 232 A Y < - 0 0 155 -3,-1.9 2,-0.4 2,-0.0 3,-0.0 -0.469 28.5-179.3 -69.3 136.7 12.1 -30.6 25.5 6 233 A D > - 0 0 55 3,-0.2 3,-1.4 -2,-0.2 -2,-0.0 -0.944 23.4-145.8-138.7 119.3 12.0 -26.9 25.0 7 234 A K T 3 S+ 0 0 150 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 0.561 98.4 45.2 -67.8 -7.8 9.6 -25.6 22.4 8 235 A W T 3 S+ 0 0 61 63,-0.1 64,-2.5 2,-0.1 2,-0.5 0.637 89.8 99.7-103.1 -16.4 11.9 -22.7 21.4 9 236 A E B < -a 72 0A 22 -3,-1.4 -3,-0.2 62,-0.2 64,-0.2 -0.595 46.9-177.8 -83.6 117.4 15.3 -24.6 21.2 10 237 A M - 0 0 19 62,-2.9 2,-0.5 -2,-0.5 64,-0.1 -0.566 31.8-107.5 -97.6 170.2 16.6 -25.7 17.9 11 238 A E > - 0 0 106 -2,-0.2 3,-3.0 1,-0.1 4,-0.3 -0.862 21.8-129.0 -95.2 134.6 19.8 -27.6 17.2 12 239 A R G > S+ 0 0 51 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.815 108.7 64.2 -47.8 -33.2 22.6 -25.7 15.7 13 240 A T G 3 S+ 0 0 111 1,-0.3 -1,-0.3 3,-0.1 22,-0.1 0.540 86.9 71.1 -74.6 -4.8 22.9 -28.4 13.1 14 241 A D G < S+ 0 0 48 -3,-3.0 21,-1.7 21,-0.1 22,-0.6 0.626 94.2 70.3 -76.5 -15.5 19.4 -27.5 11.8 15 242 A I E < -B 34 0A 9 -3,-1.6 2,-0.7 -4,-0.3 19,-0.2 -0.893 67.1-151.1-118.4 128.5 20.9 -24.3 10.5 16 243 A T E -B 33 0A 53 17,-3.6 17,-2.6 -2,-0.4 2,-0.4 -0.880 23.7-147.3 -89.8 116.7 23.2 -23.5 7.6 17 244 A M E +B 32 0A 61 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.703 25.7 167.3 -84.6 133.1 25.2 -20.3 8.4 18 245 A K E - 0 0 106 13,-3.1 14,-0.1 -2,-0.4 -1,-0.1 0.017 41.6 -19.3-117.6-134.7 26.1 -18.1 5.5 19 246 A H E - 0 0 99 1,-0.1 12,-3.0 11,-0.1 -1,-0.3 -0.306 64.4-104.1 -79.2 157.8 27.4 -14.6 5.2 20 247 A K E > -B 30 0A 78 10,-0.3 3,-0.6 -3,-0.1 10,-0.3 -0.624 45.7-113.6 -75.6 137.4 27.3 -11.8 7.8 21 248 A L G > >S+ 0 0 29 8,-3.3 3,-1.6 -2,-0.3 5,-0.8 -0.487 80.4 1.5 -78.1 139.0 24.6 -9.2 6.9 22 249 A G G > 5S- 0 0 37 1,-0.3 3,-1.6 -2,-0.2 -1,-0.2 0.768 119.4 -65.4 72.7 31.3 25.1 -5.6 5.9 23 250 A G G < 5S- 0 0 89 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.574 99.5 -58.0 65.4 8.2 28.9 -5.5 5.9 24 251 A G G X 5S+ 0 0 29 -3,-1.6 3,-0.8 5,-0.2 -1,-0.3 0.617 105.1 130.2 93.2 14.7 28.6 -6.1 9.7 25 252 A Q T < 5S+ 0 0 91 -3,-1.6 -3,-0.1 -4,-0.3 -2,-0.1 0.701 75.8 47.4 -74.3 -17.8 26.5 -3.0 10.2 26 253 A Y T 3 -B 15 0A 48 5,-2.4 3,-0.9 4,-0.8 4,-0.4 -0.759 27.5-160.0 -84.6 91.7 16.9 -23.7 8.4 35 262 A K G > S+ 0 0 106 -21,-1.7 3,-0.8 -2,-1.3 -1,-0.2 0.725 77.5 65.8 -58.9 -28.1 17.8 -26.7 6.3 36 263 A K G 3 S+ 0 0 146 -22,-0.6 -1,-0.3 1,-0.3 3,-0.1 0.965 121.3 18.1 -54.0 -56.6 14.8 -28.8 7.3 37 264 A Y G < S- 0 0 138 -3,-0.9 2,-0.8 1,-0.4 -1,-0.3 0.156 102.1-129.0-102.8 18.5 12.2 -26.6 5.7 38 265 A S < + 0 0 83 -3,-0.8 -4,-0.8 -4,-0.4 -1,-0.4 -0.639 55.3 147.0 58.4-105.1 14.8 -24.9 3.5 39 266 A L - 0 0 88 -2,-0.8 -5,-2.4 -6,-0.2 2,-0.3 0.898 51.0-119.2 51.8 109.4 13.7 -21.4 4.4 40 267 A T E +C 33 0A 58 -7,-0.2 45,-0.7 45,-0.1 -7,-0.3 -0.607 42.3 173.0 -73.4 133.1 16.2 -18.5 4.6 41 268 A V E -CD 32 84A 0 -9,-3.3 -9,-2.4 -2,-0.3 2,-0.4 -0.782 31.4-114.0-129.9 172.9 16.4 -17.0 8.1 42 269 A A E -CD 31 83A 12 41,-2.5 41,-2.5 -2,-0.2 2,-0.5 -0.934 27.1-161.8-110.9 144.7 18.5 -14.5 10.0 43 270 A V E -CD 30 82A 0 -13,-2.7 -13,-3.1 -2,-0.4 2,-0.4 -0.974 7.0-164.1-132.1 116.5 20.7 -15.6 12.8 44 271 A K E +CD 29 81A 46 37,-2.5 37,-2.1 -2,-0.5 2,-0.2 -0.800 19.3 179.2 -92.1 140.2 22.2 -13.5 15.6 45 272 A T E D 0 80A 20 -17,-2.1 -17,-0.2 -2,-0.4 35,-0.2 -0.759 360.0 360.0-131.8-177.9 25.0 -15.0 17.5 46 273 A L 0 0 107 33,-0.6 -1,-0.2 -2,-0.2 34,-0.0 0.489 360.0 360.0-120.4 360.0 27.4 -14.1 20.4 47 ! 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 48 280 A V > 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.7 25.9 -13.5 27.4 49 281 A E H > + 0 0 123 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.938 360.0 53.6 -63.5 -46.8 23.2 -12.5 29.9 50 282 A E H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 109.0 49.9 -50.8 -43.3 22.2 -9.6 27.6 51 283 A F H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 111.2 48.2 -64.5 -42.6 21.9 -12.2 24.9 52 284 A L H X S+ 0 0 75 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.842 109.6 52.6 -67.8 -34.8 19.8 -14.4 27.1 53 285 A K H X S+ 0 0 119 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.918 107.8 51.9 -63.2 -44.0 17.6 -11.5 28.1 54 286 A E H X S+ 0 0 48 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 110.8 47.3 -61.6 -43.3 17.0 -10.7 24.4 55 287 A A H X S+ 0 0 3 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.922 112.4 49.9 -61.5 -45.6 15.9 -14.2 23.7 56 288 A A H < S+ 0 0 54 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.867 112.2 47.5 -64.4 -38.6 13.7 -14.2 26.7 57 289 A V H >< S+ 0 0 54 -4,-2.9 3,-1.8 1,-0.2 4,-0.3 0.941 108.7 53.6 -66.6 -46.2 12.1 -10.9 25.7 58 290 A M H >< S+ 0 0 29 -4,-2.6 3,-1.6 1,-0.3 11,-0.3 0.833 99.1 61.7 -61.4 -34.4 11.5 -12.0 22.1 59 291 A K T 3< S+ 0 0 62 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.773 104.2 53.0 -59.9 -22.9 9.7 -15.2 23.2 60 292 A E T < S+ 0 0 131 -3,-1.8 2,-0.6 -4,-0.5 -1,-0.3 0.526 97.2 80.7 -87.4 -9.7 7.2 -12.7 24.8 61 293 A I < + 0 0 38 -3,-1.6 8,-0.4 -4,-0.3 2,-0.3 -0.891 43.2 156.3-112.8 119.9 6.6 -10.7 21.6 62 294 A K + 0 0 79 -2,-0.6 5,-0.1 6,-0.1 6,-0.1 -0.885 19.6 131.6-143.2 111.2 4.3 -11.8 18.7 63 295 A H > - 0 0 33 3,-0.4 3,-1.9 -2,-0.3 55,-0.1 -0.980 60.7-115.5-156.9 144.5 3.0 -9.1 16.4 64 296 A P T 3 S+ 0 0 94 0, 0.0 4,-0.1 0, 0.0 54,-0.1 0.716 115.8 43.7 -56.9 -24.2 2.7 -8.8 12.6 65 297 A N T 3 S+ 0 0 18 81,-0.1 82,-2.8 2,-0.1 2,-0.4 0.094 96.7 86.9-114.0 22.7 5.0 -5.8 12.5 66 298 A L B < S-f 147 0B 11 -3,-1.9 -3,-0.4 80,-0.2 82,-0.2 -0.991 94.6 -99.9-118.7 131.6 7.6 -7.1 14.9 67 299 A V - 0 0 20 80,-1.9 2,-0.4 -2,-0.4 -2,-0.1 -0.271 49.1-122.7 -52.9 121.4 10.5 -9.2 13.6 68 300 A Q - 0 0 97 -4,-0.1 16,-2.1 1,-0.1 2,-0.2 -0.560 12.6-136.0 -86.1 123.1 9.3 -12.8 14.4 69 301 A L E + E 0 83A 10 -2,-0.4 14,-0.2 -8,-0.4 3,-0.1 -0.470 22.7 175.8 -67.8 138.8 11.4 -15.2 16.5 70 302 A L E - 0 0 37 12,-3.2 2,-0.3 1,-0.4 13,-0.2 0.589 59.7 -36.3-117.0 -27.3 11.5 -18.7 15.1 71 303 A G E - E 0 82A 0 11,-1.6 11,-3.1 -61,-0.0 -1,-0.4 -0.972 47.0-135.5 178.3 171.5 13.9 -20.3 17.6 72 304 A V E -aE 9 81A 0 -64,-2.5 -62,-2.9 -2,-0.3 2,-0.4 -0.932 8.7-148.5-138.3 161.5 17.0 -20.0 19.7 73 305 A C E + E 0 80A 1 7,-2.7 7,-2.0 -2,-0.3 -64,-0.1 -0.817 45.5 137.4-128.5 91.2 20.0 -22.1 20.5 74 306 A T + 0 0 30 -2,-0.4 5,-0.1 5,-0.2 -1,-0.1 0.062 41.1 90.5-128.1 21.0 20.8 -21.2 24.1 75 307 A R S S- 0 0 86 1,-0.4 -1,-0.1 3,-0.2 4,-0.1 0.850 104.9 -9.1 -82.8 -40.4 21.6 -24.6 25.7 76 308 A E S S- 0 0 107 2,-0.2 -1,-0.4 0, 0.0 0, 0.0 -0.988 97.1 -43.0-152.6 158.5 25.3 -24.2 25.0 77 309 A P S S+ 0 0 105 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.297 104.5 57.4 -63.7 147.0 27.7 -22.0 23.0 78 310 A P S S- 0 0 74 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.505 84.0-151.6 -70.7 141.8 27.6 -20.8 20.3 79 311 A F - 0 0 31 -5,-0.1 -33,-0.6 -2,-0.1 2,-0.4 -0.656 14.6-167.8 -83.3 134.8 24.3 -19.1 21.2 80 312 A Y E -DE 45 73A 27 -7,-2.0 -7,-2.7 -2,-0.3 2,-0.4 -0.942 20.4-167.9-121.8 147.3 21.8 -18.4 18.4 81 313 A I E -DE 44 72A 3 -37,-2.1 -37,-2.5 -2,-0.4 2,-0.5 -0.992 18.6-161.2-123.4 130.0 18.7 -16.4 18.0 82 314 A I E +DE 43 71A 0 -11,-3.1 -12,-3.2 -2,-0.4 -11,-1.6 -0.940 14.6 169.7-117.4 119.2 16.9 -17.3 14.7 83 315 A T E -DE 42 69A 23 -41,-2.5 -41,-2.5 -2,-0.5 -14,-0.2 -0.784 42.8 -82.2-122.2 166.7 14.3 -14.9 13.2 84 316 A E E -D 41 0A 38 -16,-2.1 2,-0.4 -2,-0.3 -43,-0.2 -0.225 53.6-109.6 -57.9 157.4 12.4 -14.7 9.9 85 317 A F - 0 0 56 -45,-0.7 2,-0.6 -44,-0.1 -1,-0.1 -0.800 20.4-150.4 -99.3 135.3 14.4 -13.1 7.2 86 318 A M > - 0 0 15 -2,-0.4 3,-1.4 1,-0.1 53,-0.2 -0.923 9.3-154.3-109.8 116.7 13.5 -9.6 5.9 87 319 A T T 3 S+ 0 0 72 -2,-0.6 53,-0.2 1,-0.3 -1,-0.1 0.598 82.8 47.6 -78.3 -18.9 14.5 -9.4 2.3 88 320 A Y T 3 S- 0 0 117 51,-2.5 -1,-0.3 1,-0.3 52,-0.2 0.330 96.8-138.0-102.3 8.9 15.0 -5.7 1.7 89 321 A G < - 0 0 22 -3,-1.4 50,-3.2 50,-0.4 -1,-0.3 -0.259 52.4 -4.0 69.8-156.6 17.1 -5.0 4.8 90 322 A N B > -G 138 0B 5 48,-0.2 4,-2.0 1,-0.1 48,-0.3 -0.246 60.9-122.3 -84.0 159.6 16.8 -2.0 7.0 91 323 A L H > S+ 0 0 0 46,-2.7 4,-2.3 43,-1.1 44,-0.2 0.855 104.2 59.8 -70.1 -36.8 14.4 1.0 6.5 92 324 A L H > S+ 0 0 24 42,-0.7 4,-1.5 45,-0.3 -1,-0.2 0.926 113.0 36.3 -59.7 -48.1 17.1 3.7 6.5 93 325 A D H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.865 112.2 60.0 -74.2 -39.0 19.0 2.4 3.5 94 326 A Y H X S+ 0 0 34 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.909 108.9 45.3 -49.5 -44.4 15.8 1.2 1.8 95 327 A L H < S+ 0 0 1 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.894 110.6 52.5 -70.1 -38.8 14.7 4.8 1.9 96 328 A R H < S+ 0 0 129 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.745 119.5 34.9 -67.7 -24.1 18.0 6.2 0.6 97 329 A E H < S+ 0 0 158 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.486 93.4 119.2-107.5 -4.4 18.0 3.8 -2.3 98 330 A C < - 0 0 27 -4,-0.8 2,-0.7 -3,-0.5 -3,-0.1 -0.091 66.9-118.3 -77.7 158.8 14.4 3.6 -3.3 99 331 A N >> - 0 0 106 1,-0.1 4,-3.1 5,-0.0 3,-1.6 -0.879 22.7-152.5 -86.4 115.3 12.5 4.6 -6.4 100 332 A R T 34 S+ 0 0 142 -2,-0.7 5,-0.1 1,-0.3 -1,-0.1 0.522 91.9 69.3 -71.8 -6.3 10.1 7.3 -5.1 101 333 A Q T 34 S+ 0 0 165 3,-0.1 3,-0.3 1,-0.1 -1,-0.3 0.824 113.9 28.4 -74.4 -34.7 7.7 6.3 -7.9 102 334 A E T <4 S+ 0 0 52 -3,-1.6 2,-2.4 1,-0.2 -2,-0.2 0.898 120.0 54.8 -87.7 -52.3 7.2 3.1 -6.0 103 335 A V S < S+ 0 0 2 -4,-3.1 -1,-0.2 4,-0.1 -2,-0.1 -0.396 88.2 164.1 -79.7 64.1 7.9 4.4 -2.5 104 336 A S >> - 0 0 24 -2,-2.4 4,-1.8 -3,-0.3 3,-0.8 -0.065 55.3 -83.9 -78.2-179.7 5.3 7.1 -3.0 105 337 A A H 3> S+ 0 0 67 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.815 128.3 52.7 -57.5 -37.6 3.6 9.3 -0.4 106 338 A V H 3> S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.799 106.8 54.7 -71.6 -27.9 1.0 6.7 0.5 107 339 A V H <> S+ 0 0 14 -3,-0.8 4,-3.1 2,-0.2 -2,-0.2 0.885 103.5 54.5 -68.6 -40.2 3.8 4.2 1.1 108 340 A L H X S+ 0 0 28 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.916 111.0 45.9 -59.8 -42.1 5.5 6.6 3.5 109 341 A L H X S+ 0 0 22 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.890 110.9 52.9 -65.9 -39.7 2.2 6.7 5.4 110 342 A Y H X S+ 0 0 74 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.927 108.5 49.8 -60.4 -45.7 1.9 3.0 5.2 111 343 A M H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.935 112.8 47.5 -58.5 -46.9 5.4 2.6 6.7 112 344 A A H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.863 110.4 52.2 -62.9 -37.7 4.5 5.0 9.5 113 345 A T H X S+ 0 0 8 -4,-2.5 4,-1.5 140,-0.2 -2,-0.2 0.914 110.1 48.4 -67.5 -39.2 1.2 3.1 10.1 114 346 A Q H X S+ 0 0 8 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.920 113.3 46.7 -66.5 -42.0 3.0 -0.2 10.4 115 347 A I H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.948 111.5 48.8 -68.4 -46.9 5.6 1.1 12.8 116 348 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 134,-0.3 0.846 108.3 59.5 -58.7 -30.2 3.2 2.9 15.1 117 349 A S H X S+ 0 0 20 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.898 106.0 44.0 -68.4 -39.6 1.2 -0.3 15.1 118 350 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.3 -1,-0.2 0.899 114.3 51.6 -68.3 -39.4 4.0 -2.4 16.5 119 351 A M H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.848 105.5 53.3 -68.7 -36.5 4.8 0.3 19.1 120 352 A E H X S+ 0 0 68 -4,-2.4 4,-2.7 126,-0.3 -1,-0.2 0.900 110.0 51.0 -61.4 -39.7 1.1 0.5 20.2 121 353 A Y H X S+ 0 0 65 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.953 111.8 44.4 -60.8 -50.7 1.5 -3.3 20.7 122 354 A L H <>S+ 0 0 8 -4,-2.7 5,-2.8 1,-0.2 4,-0.3 0.882 112.6 54.2 -60.5 -36.2 4.7 -2.8 22.8 123 355 A E H ><5S+ 0 0 37 -4,-2.9 3,-1.3 3,-0.2 -2,-0.2 0.944 109.7 45.7 -61.5 -47.4 2.9 0.0 24.6 124 356 A K H 3<5S+ 0 0 79 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.896 112.9 51.2 -63.6 -37.6 -0.0 -2.3 25.5 125 357 A K T 3<5S- 0 0 42 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.462 113.8-119.5 -81.3 0.4 2.4 -5.0 26.6 126 358 A N T < 5 + 0 0 149 -3,-1.3 2,-0.2 -4,-0.3 -3,-0.2 0.806 66.4 138.1 64.7 29.9 4.3 -2.5 28.8 127 359 A F < - 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0 0 75 1,-0.1 2,-0.5 -3,-0.0 -3,-0.0 -0.087 360.0 -60.2-104.5-154.2 26.7 4.7 27.6 160 400 A K - 0 0 127 -2,-0.1 -7,-0.1 -5,-0.1 -1,-0.1 -0.881 60.0-162.4 -90.5 133.1 26.8 5.4 23.9 161 401 A F - 0 0 31 -5,-2.5 2,-1.9 -2,-0.5 -5,-1.5 -0.924 32.0-130.8-119.8 140.4 23.6 7.3 22.8 162 402 A P > - 0 0 16 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.625 38.2-170.7 -76.3 77.7 21.9 7.9 19.5 163 403 A I G > S+ 0 0 28 -2,-1.9 3,-1.4 1,-0.3 8,-0.1 0.809 73.1 54.4 -43.1 -46.1 21.8 11.6 20.6 164 404 A K G 3 S+ 0 0 36 1,-0.3 -1,-0.3 -3,-0.2 36,-0.1 0.585 111.0 43.6 -77.0 -8.3 19.5 12.8 17.8 165 405 A W G < S+ 0 0 35 -3,-2.3 2,-0.4 2,-0.1 -1,-0.3 0.322 94.1 108.5-107.3 4.0 16.7 10.3 18.5 166 406 A T < - 0 0 9 -3,-1.4 15,-0.1 -4,-0.5 5,-0.0 -0.699 67.9-124.5-100.7 132.5 16.9 10.7 22.2 167 407 A A >> - 0 0 1 -2,-0.4 4,-2.2 13,-0.2 3,-1.0 -0.341 25.7-115.5 -68.0 149.2 14.2 12.5 24.4 168 408 A P H 3> S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.883 115.4 50.6 -51.6 -48.5 15.4 15.4 26.6 169 409 A E H 3> S+ 0 0 20 69,-0.2 6,-2.0 1,-0.2 4,-1.3 0.705 112.0 50.1 -68.5 -18.9 14.5 13.6 29.9 170 410 A S H <> S+ 0 0 1 -3,-1.0 4,-0.7 4,-0.3 -1,-0.2 0.843 113.5 43.3 -84.9 -38.6 16.5 10.7 28.6 171 411 A L H < S+ 0 0 49 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.1 0.917 126.7 32.9 -68.7 -44.9 19.6 12.7 27.7 172 412 A A H < S+ 0 0 44 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.919 137.7 13.6 -79.0 -49.8 19.4 14.8 30.9 173 413 A Y H < S- 0 0 163 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.404 92.6-117.7-118.0 0.4 18.0 12.4 33.6 174 414 A N < + 0 0 100 -4,-0.7 2,-0.7 1,-0.2 -4,-0.3 0.805 59.4 153.1 66.9 28.0 18.3 8.9 32.0 175 415 A K - 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0 0 35 -3,-1.3 -1,-0.3 -4,-0.1 2,-0.2 -0.695 67.7-128.4 -85.9 138.7 23.5 21.2 13.6 204 444 A D >> - 0 0 96 -2,-0.3 3,-2.1 -3,-0.1 4,-0.6 -0.628 17.4-113.9 -96.7 153.8 26.3 19.6 15.7 205 445 A L G >4 S+ 0 0 75 1,-0.3 3,-0.7 -2,-0.2 4,-0.4 0.735 107.6 64.0 -57.7 -31.3 25.5 17.1 18.4 206 446 A S G 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.623 105.1 46.7 -73.0 -10.6 26.8 19.2 21.3 207 447 A Q G <> S+ 0 0 88 -3,-2.1 4,-2.4 2,-0.1 -1,-0.2 0.624 84.5 93.1-104.3 -19.2 24.1 21.8 20.8 208 448 A V H S+ 0 0 55 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.940 113.2 49.1 -55.4 -51.9 19.8 19.5 24.0 210 450 A E H > S+ 0 0 100 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.896 113.0 48.4 -58.7 -42.4 20.2 23.3 24.6 211 451 A L H <>S+ 0 0 43 -4,-2.4 5,-3.2 2,-0.2 3,-0.3 0.882 111.0 49.5 -61.5 -43.6 18.4 24.0 21.3 212 452 A L H ><5S+ 0 0 3 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.852 109.7 53.1 -61.6 -35.1 15.5 21.6 22.2 213 453 A E H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.697 102.8 55.4 -78.9 -20.8 15.3 23.3 25.6 214 454 A K T 3<5S- 0 0 161 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.329 129.8-103.5 -84.4 3.3 15.0 26.7 23.9 215 455 A D T < 5 + 0 0 105 -3,-1.1 2,-0.3 1,-0.3 -3,-0.2 0.657 69.6 154.0 79.3 21.8 12.0 25.0 22.1 216 456 A Y < + 0 0 83 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.3 -0.639 14.3 172.7 -73.9 137.5 13.8 24.4 18.8 217 457 A R - 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