==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-OCT-11 3U4W . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.A.SEELIGER,D.R.LIU,G.GEORGHIOU,R.E.KLEINER,M.PULKOSKI-GROS . 275 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 66.9 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 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 9 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 0 2 0 0 2 1 1 0 0 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 1 2 0 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 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 1 259 A A 0 0 83 0, 0.0 3,-0.1 0, 0.0 52,-0.0 0.000 360.0 360.0 360.0 54.9 -34.7 29.8 4.4 2 260 A W + 0 0 122 1,-0.3 68,-2.1 67,-0.1 2,-0.3 0.496 360.0 140.5 66.5 4.9 -36.8 29.9 7.6 3 261 A E B -a 70 0A 62 66,-0.2 -1,-0.3 68,-0.1 68,-0.2 -0.604 31.3-171.9 -78.7 134.3 -39.2 27.8 5.7 4 262 A I - 0 0 25 66,-2.4 2,-0.2 -2,-0.3 68,-0.1 -0.855 31.7 -91.9-124.3 160.8 -40.9 25.0 7.7 5 263 A P > - 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.538 32.6-130.2 -66.6 135.8 -43.2 22.1 7.0 6 264 A R G > S+ 0 0 75 1,-0.3 3,-1.5 -2,-0.2 65,-0.0 0.844 107.0 61.1 -55.2 -33.4 -46.8 23.0 7.2 7 265 A E G 3 S+ 0 0 167 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.531 84.9 74.6 -77.1 -4.0 -47.4 20.0 9.5 8 266 A S G < S+ 0 0 21 -3,-2.0 21,-2.9 21,-0.1 22,-0.4 0.473 91.6 73.8 -81.5 -0.1 -44.9 21.3 12.1 9 267 A L E < -B 28 0A 7 -3,-1.5 2,-0.5 19,-0.2 19,-0.2 -0.898 62.6-162.4-115.4 141.4 -47.7 23.8 13.0 10 268 A R E -B 27 0A 146 17,-2.5 17,-2.0 -2,-0.4 2,-0.8 -0.975 10.1-154.4-120.2 116.5 -50.9 23.2 14.9 11 269 A L E +B 26 0A 57 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.803 27.3 163.0 -92.4 108.8 -53.5 26.0 14.5 12 270 A E E + 0 0 93 13,-1.9 2,-0.4 -2,-0.8 14,-0.2 0.888 50.9 22.1-100.9 -47.3 -55.5 25.7 17.6 13 271 A V E S-B 25 0A 74 12,-2.1 12,-3.4 0, 0.0 2,-0.3 -0.988 71.7-121.0-133.6 133.8 -57.7 28.8 18.3 14 272 A K E +B 24 0A 91 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.569 26.9 176.6 -77.1 133.4 -58.9 31.5 16.0 15 273 A L E - 0 0 80 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.678 57.1 -42.7-106.1 -28.0 -57.7 35.0 17.1 16 274 A G E -B 23 0A 26 7,-1.6 7,-2.3 70,-0.1 -1,-0.4 -0.989 41.3-128.2 177.5 176.7 -59.1 37.1 14.2 17 275 A Q E +B 22 0A 127 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.991 25.0 170.0-146.7 146.5 -59.9 37.7 10.6 18 276 A G - 0 0 43 3,-3.0 3,-0.5 -2,-0.3 -2,-0.0 -0.725 52.5 -66.0-141.7-165.8 -59.2 40.6 8.3 19 277 A C S S+ 0 0 70 1,-0.2 3,-0.1 -2,-0.2 146,-0.1 0.731 128.3 27.4 -60.8 -26.1 -59.3 41.8 4.7 20 278 A F S S- 0 0 36 1,-0.2 20,-2.3 145,-0.0 2,-0.3 0.419 124.6 -38.8-123.2 1.1 -56.5 39.4 3.6 21 279 A G E - C 0 39A 14 -3,-0.5 -3,-3.0 18,-0.2 2,-0.3 -0.993 58.1 -83.3 168.8-163.0 -56.6 36.4 5.9 22 280 A E E -BC 17 38A 63 16,-2.0 16,-3.0 -2,-0.3 2,-0.4 -0.792 24.7-142.1-129.0 168.0 -57.0 35.0 9.3 23 281 A V E -BC 16 37A 29 -7,-2.3 -8,-2.9 -2,-0.3 -7,-1.6 -1.000 15.2-171.2-138.7 144.9 -54.8 34.5 12.4 24 282 A W E -BC 14 36A 56 12,-2.3 12,-2.7 -2,-0.4 2,-0.4 -0.944 23.9-126.8-132.6 147.9 -54.7 31.6 14.9 25 283 A M E +BC 13 35A 27 -12,-3.4 -12,-2.1 -2,-0.3 -13,-1.9 -0.792 53.3 133.9 -87.5 139.6 -53.0 30.9 18.2 26 284 A G E -BC 11 34A 0 8,-2.9 8,-2.3 -2,-0.4 2,-0.4 -0.854 48.8 -83.3-162.6-162.7 -51.1 27.6 18.0 27 285 A T E -BC 10 33A 22 -17,-2.0 -17,-2.5 -2,-0.2 2,-0.5 -0.969 22.8-153.7-129.6 139.4 -48.1 25.4 18.6 28 286 A W E >> S-BC 9 32A 50 4,-2.6 4,-2.2 -2,-0.4 3,-1.8 -0.947 82.4 -7.1-113.5 129.3 -44.9 25.0 16.6 29 287 A N T 34 S- 0 0 97 -21,-2.9 -1,-0.2 -2,-0.5 -20,-0.1 0.739 116.8 -78.3 57.5 23.9 -42.9 21.8 16.8 30 288 A G T 34 S+ 0 0 65 -22,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.612 129.7 62.6 65.7 14.0 -45.2 20.7 19.5 31 289 A T T <4 S+ 0 0 120 -3,-1.8 2,-0.5 1,-0.2 -2,-0.2 0.565 81.9 74.8-137.4 -25.8 -43.4 22.8 22.1 32 290 A T E < -C 28 0A 54 -4,-2.2 -4,-2.6 0, 0.0 2,-0.3 -0.865 66.0-134.1-114.3 126.2 -43.6 26.5 21.2 33 291 A R E +C 27 0A 113 -2,-0.5 49,-0.3 -6,-0.2 2,-0.3 -0.572 43.7 153.5 -69.3 129.9 -46.5 28.9 21.5 34 292 A V E -C 26 0A 0 -8,-2.3 -8,-2.9 -2,-0.3 2,-0.4 -0.935 42.5-120.4-146.8 167.4 -46.9 30.9 18.3 35 293 A A E -CD 25 80A 5 45,-2.6 45,-2.5 -2,-0.3 2,-0.5 -0.912 22.9-155.3-106.9 148.3 -49.4 32.8 16.2 36 294 A I E -CD 24 79A 0 -12,-2.7 -12,-2.3 -2,-0.4 2,-0.4 -0.976 1.5-160.4-124.7 116.3 -50.0 31.7 12.6 37 295 A K E -CD 23 78A 34 41,-2.8 41,-2.7 -2,-0.5 2,-0.5 -0.805 11.2-157.0 -91.4 135.1 -51.3 34.3 10.1 38 296 A T E -CD 22 77A 16 -16,-3.0 -16,-2.0 -2,-0.4 2,-0.3 -0.965 4.2-145.8-124.5 121.7 -52.8 32.6 7.1 39 297 A L E -C 21 0A 19 37,-2.7 37,-0.3 -2,-0.5 -18,-0.2 -0.675 20.9-112.8 -93.4 134.8 -53.1 34.4 3.7 40 298 A K > - 0 0 98 -20,-2.3 3,-1.5 -2,-0.3 4,-0.2 -0.412 46.5-102.5 -56.9 128.5 -55.9 34.1 1.2 41 299 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.208 108.2 35.1 -51.7 146.5 -54.5 32.4 -1.9 42 300 A G T 3 S+ 0 0 57 2,-0.3 112,-0.1 -3,-0.1 3,-0.1 0.381 87.5 106.6 87.4 -2.9 -53.9 34.9 -4.7 43 301 A T S < S- 0 0 12 -3,-1.5 111,-2.6 1,-0.3 112,-0.4 0.879 87.7 -7.2 -76.9 -40.6 -52.9 37.6 -2.3 44 302 A M S S- 0 0 3 -4,-0.2 -2,-0.3 109,-0.2 -1,-0.3 -0.997 77.2 -88.7-156.1 156.2 -49.2 37.6 -3.0 45 303 A S > - 0 0 41 107,-0.4 4,-3.0 -2,-0.3 5,-0.2 -0.484 27.6-144.1 -65.3 123.8 -46.4 35.7 -4.9 46 304 A P H > S+ 0 0 45 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.886 102.8 48.0 -54.9 -39.2 -44.9 32.9 -2.8 47 305 A E H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.953 112.9 45.9 -69.4 -48.2 -41.5 33.7 -4.3 48 306 A A H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 115.4 49.6 -57.5 -40.4 -41.8 37.5 -3.7 49 307 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.936 108.6 50.7 -64.6 -47.6 -43.0 36.7 -0.2 50 308 A L H X S+ 0 0 29 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.895 110.6 50.7 -58.5 -40.5 -40.2 34.3 0.6 51 309 A Q H >X S+ 0 0 132 -4,-2.3 3,-0.7 1,-0.2 4,-0.7 0.943 112.8 44.6 -62.0 -49.2 -37.6 36.9 -0.5 52 310 A E H >X S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.2 3,-0.8 0.828 103.2 66.7 -65.1 -32.4 -39.2 39.6 1.7 53 311 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.834 91.6 61.8 -58.6 -32.6 -39.4 37.1 4.6 54 312 A Q H << S+ 0 0 62 -4,-1.0 4,-0.5 -3,-0.7 -1,-0.3 0.872 108.9 42.7 -63.2 -34.5 -35.6 37.0 4.7 55 313 A V H XX S+ 0 0 36 -3,-0.8 3,-1.4 -4,-0.7 4,-0.6 0.922 110.1 55.1 -73.0 -47.1 -35.7 40.8 5.5 56 314 A M H >< S+ 0 0 18 -4,-2.5 3,-1.2 1,-0.3 11,-0.4 0.863 102.1 59.7 -54.0 -36.4 -38.6 40.5 7.9 57 315 A K T 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.789 97.1 60.4 -64.7 -27.2 -36.6 37.9 9.9 58 316 A K T <4 S+ 0 0 94 -3,-1.4 2,-1.2 -4,-0.5 -1,-0.2 0.644 79.0 96.3 -78.3 -14.6 -33.8 40.4 10.5 59 317 A L << + 0 0 8 -3,-1.2 2,-0.6 -4,-0.6 8,-0.4 -0.645 49.8 166.5 -81.0 97.9 -36.1 42.9 12.4 60 318 A R + 0 0 125 -2,-1.2 2,-0.3 6,-0.1 5,-0.1 -0.922 14.7 128.8-120.3 106.7 -35.4 42.0 16.0 61 319 A H > - 0 0 41 -2,-0.6 3,-1.8 3,-0.4 54,-0.1 -0.984 62.8-116.6-157.2 146.1 -36.7 44.5 18.6 62 320 A E T 3 S+ 0 0 129 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.716 114.8 47.1 -61.0 -22.8 -38.9 44.3 21.7 63 321 A K T 3 S+ 0 0 28 80,-0.1 81,-2.7 51,-0.1 2,-0.4 0.236 98.0 79.6-108.1 12.9 -41.6 46.4 20.2 64 322 A L B < S-f 144 0B 9 -3,-1.8 -3,-0.4 79,-0.3 2,-0.3 -0.983 89.9-113.8-114.8 131.4 -41.8 44.6 16.8 65 323 A V - 0 0 21 79,-2.4 2,-0.2 -2,-0.4 82,-0.2 -0.476 42.7-121.6 -63.2 121.2 -43.8 41.3 16.6 66 324 A Q - 0 0 67 -2,-0.3 15,-2.3 -4,-0.1 2,-0.4 -0.445 12.5-135.0 -76.0 133.6 -41.0 38.8 15.9 67 325 A L E + E 0 80A 11 -11,-0.4 13,-0.2 -8,-0.4 3,-0.1 -0.722 26.5 172.5 -79.5 131.9 -41.1 36.6 12.8 68 326 A Y E - 0 0 52 11,-3.3 2,-0.3 -2,-0.4 12,-0.2 0.816 56.3 -27.6-103.1 -49.1 -40.3 33.0 13.6 69 327 A A E - E 0 79A 2 10,-1.6 10,-3.0 2,-0.0 -1,-0.4 -0.958 52.0-140.9-162.3 168.9 -40.9 31.0 10.4 70 328 A V E -aE 3 78A 0 -68,-2.1 -66,-2.4 -2,-0.3 2,-0.5 -0.973 12.6-149.4-141.2 154.8 -42.9 30.8 7.2 71 329 A V E - E 0 77A 2 6,-2.4 6,-2.0 -2,-0.3 -68,-0.1 -0.965 19.6-170.6-117.1 108.9 -44.7 28.4 4.9 72 330 A S + 0 0 6 -2,-0.5 2,-0.2 4,-0.2 4,-0.2 0.691 55.3 93.5 -80.7 -17.5 -44.4 30.0 1.5 73 331 A E S S- 0 0 108 2,-0.2 4,-0.2 1,-0.1 -2,-0.1 -0.545 91.7 -62.4 -74.6 139.6 -46.7 27.7 -0.4 74 332 A E S S+ 0 0 86 -2,-0.2 -1,-0.1 1,-0.2 -34,-0.1 -0.400 128.0 48.6 -65.7 138.8 -50.3 28.9 -0.7 75 333 A P S S- 0 0 52 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.384 99.6-143.0 -72.8 128.8 -52.1 29.4 1.5 76 334 A I - 0 0 4 -37,-0.3 -37,-2.7 -4,-0.2 2,-0.4 -0.349 11.8-155.6 -63.2 133.8 -49.1 31.2 2.9 77 335 A Y E -DE 38 71A 41 -6,-2.0 -6,-2.4 -39,-0.2 2,-0.5 -0.945 5.5-162.8-109.4 135.6 -48.5 30.9 6.7 78 336 A I E -DE 37 70A 8 -41,-2.7 -41,-2.8 -2,-0.4 2,-0.6 -0.974 10.2-156.3-116.3 117.7 -46.6 33.5 8.6 79 337 A V E +DE 36 69A 0 -10,-3.0 -11,-3.3 -2,-0.5 -10,-1.6 -0.842 27.0 156.0-102.2 119.6 -45.4 32.2 12.1 80 338 A T E -DE 35 67A 10 -45,-2.5 -45,-2.6 -2,-0.6 -13,-0.2 -0.768 47.4 -66.0-134.4 173.5 -44.8 34.9 14.7 81 339 A E - 0 0 33 -15,-2.3 2,-0.5 -2,-0.2 -47,-0.1 -0.339 57.1-120.6 -51.8 142.1 -44.6 35.8 18.3 82 340 A Y - 0 0 69 -49,-0.3 2,-0.4 -56,-0.1 -1,-0.1 -0.825 23.1-165.4 -98.5 129.1 -48.0 35.5 20.0 83 341 A M > - 0 0 17 -2,-0.5 3,-0.6 1,-0.1 54,-0.1 -0.963 8.9-153.4-114.4 130.5 -49.7 38.6 21.6 84 342 A S T 3 S+ 0 0 50 -2,-0.4 53,-0.2 1,-0.2 -1,-0.1 0.611 80.2 58.7 -85.1 -14.2 -52.6 37.8 23.9 85 343 A K T 3 S- 0 0 87 51,-2.3 -1,-0.2 1,-0.3 52,-0.2 0.326 93.3-131.9-106.3 11.2 -54.8 41.0 23.8 86 344 A G < - 0 0 32 -3,-0.6 50,-2.5 50,-0.3 -1,-0.3 -0.200 51.9 -14.0 80.4-167.2 -55.6 41.3 20.1 87 345 A S B > -G 135 0B 22 48,-0.2 4,-2.2 1,-0.1 48,-0.3 -0.388 56.5-127.6 -73.3 149.5 -55.3 44.3 17.8 88 346 A L H > S+ 0 0 0 46,-2.5 4,-2.8 43,-0.8 44,-0.2 0.867 109.1 58.0 -62.1 -36.8 -54.9 47.7 19.2 89 347 A L H > S+ 0 0 34 42,-1.4 4,-1.6 45,-0.3 -1,-0.2 0.940 110.4 41.1 -60.4 -48.3 -57.9 48.9 17.2 90 348 A D H > S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.861 112.8 56.2 -68.0 -35.6 -60.2 46.4 18.7 91 349 A F H < S+ 0 0 25 -4,-2.2 6,-0.7 1,-0.2 3,-0.3 0.935 109.2 46.1 -59.0 -47.2 -58.6 47.0 22.1 92 350 A L H < S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.818 115.8 45.4 -65.8 -34.0 -59.4 50.7 21.9 93 351 A K H < S+ 0 0 137 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.638 107.5 72.2 -83.9 -16.7 -63.0 50.1 20.7 94 352 A G S >X S- 0 0 34 -4,-1.4 3,-0.6 -3,-0.3 4,-0.5 0.110 105.8 -68.5 -90.9-159.5 -63.7 47.5 23.3 95 353 A E G >4 S+ 0 0 167 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.837 127.6 53.8 -66.5 -35.9 -64.3 47.3 27.0 96 354 A M G >> S+ 0 0 81 1,-0.2 3,-1.9 -5,-0.2 4,-0.7 0.774 91.0 77.6 -69.5 -23.1 -60.8 48.3 28.0 97 355 A G G X4 S+ 0 0 2 -6,-0.7 3,-0.9 -3,-0.6 -1,-0.2 0.847 88.8 56.9 -54.4 -35.4 -61.0 51.4 25.8 98 356 A K G << S+ 0 0 125 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.693 104.8 51.5 -71.4 -20.2 -63.1 53.1 28.5 99 357 A Y G <4 S+ 0 0 158 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.2 0.516 88.8 97.3 -94.5 -7.5 -60.4 52.6 31.1 100 358 A L << - 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0 0 24 -3,-2.2 -1,-0.3 -4,-0.2 2,-0.2 -0.840 60.9-136.0-106.9 144.4 -65.5 62.3 4.9 209 467 A V > - 0 0 98 -2,-0.4 4,-2.4 -3,-0.1 3,-0.2 -0.554 31.8-100.9 -94.2 163.4 -65.1 60.0 1.9 210 468 A N H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 119.5 45.3 -53.3 -44.6 -61.7 58.9 0.5 211 469 A R H > S+ 0 0 184 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.879 112.0 52.1 -69.9 -37.5 -61.5 61.3 -2.4 212 470 A E H > S+ 0 0 81 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.887 108.8 52.2 -62.9 -42.1 -62.6 64.3 -0.3 213 471 A V H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.959 111.8 45.0 -58.9 -51.5 -59.9 63.4 2.2 214 472 A L H X S+ 0 0 22 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.912 116.0 46.2 -59.4 -46.3 -57.2 63.4 -0.5 215 473 A D H X S+ 0 0 74 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.938 117.0 43.5 -61.3 -48.2 -58.4 66.6 -2.1 216 474 A Q H <>S+ 0 0 60 -4,-2.7 5,-2.8 2,-0.2 4,-0.4 0.906 112.1 51.4 -67.9 -44.2 -58.8 68.4 1.2 217 475 A V H ><5S+ 0 0 6 -4,-2.9 3,-1.4 -5,-0.3 -1,-0.2 0.911 108.3 53.2 -60.7 -40.0 -55.5 67.2 2.7 218 476 A E H 3<5S+ 0 0 101 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.858 107.4 52.4 -62.2 -34.1 -53.7 68.4 -0.5 219 477 A R T 3<5S- 0 0 179 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.475 132.9 -92.3 -81.2 -2.3 -55.4 71.8 0.0 220 478 A G T < 5S+ 0 0 48 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.384 73.1 150.4 110.4 -3.5 -54.0 71.9 3.6 221 479 A Y < + 0 0 80 -5,-2.8 2,-0.3 -6,-0.1 -1,-0.3 -0.379 18.5 179.5 -60.8 137.7 -56.9 70.4 5.7 222 480 A R - 0 0 55 -2,-0.1 16,-0.1 0, 0.0 -5,-0.0 -0.994 36.0 -96.2-136.9 145.4 -55.8 68.6 8.8 223 481 A M - 0 0 2 -2,-0.3 15,-0.0 1,-0.1 14,-0.0 -0.259 46.9-118.0 -56.7 144.1 -57.9 66.8 11.5 224 482 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.099 37.2 -76.1 -76.0 177.9 -58.6 69.0 14.5 225 483 A C - 0 0 40 1,-0.1 3,-0.1 4,-0.0 6,-0.1 -0.658 53.2-122.0 -76.3 123.4 -57.6 68.5 18.1 226 484 A P > - 0 0 10 0, 0.0 3,-2.0 0, 0.0 8,-0.1 -0.244 40.1 -80.8 -62.7 155.2 -59.8 65.8 19.7 227 485 A P T 3 S+ 0 0 107 0, 0.0 47,-0.0 0, 0.0 0, 0.0 -0.324 117.5 9.3 -54.9 136.6 -61.9 66.7 22.8 228 486 A E T 3 S+ 0 0 84 1,-0.2 44,-0.1 -3,-0.1 -126,-0.1 0.439 97.0 126.8 70.8 0.9 -59.7 66.5 26.0 229 487 A C < - 0 0 9 -3,-2.0 -1,-0.2 1,-0.0 5,-0.1 -0.784 66.5-117.3 -89.0 127.3 -56.6 66.1 23.9 230 488 A P >> - 0 0 25 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.365 17.7-124.8 -62.4 143.8 -53.9 68.7 24.9 231 489 A E H 3> S+ 0 0 113 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.816 109.1 64.9 -58.5 -31.0 -53.0 71.0 22.0 232 490 A S H 3> S+ 0 0 26 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.859 102.9 47.4 -60.5 -33.5 -49.3 70.1 22.4 233 491 A L H <> S+ 0 0 2 -3,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.886 110.7 50.5 -76.7 -35.9 -50.2 66.5 21.4 234 492 A H H X S+ 0 0 20 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.865 106.2 57.1 -63.7 -36.2 -52.3 67.8 18.4 235 493 A D H X S+ 0 0 81 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.913 104.2 52.1 -59.5 -42.6 -49.2 69.9 17.4 236 494 A L H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.918 108.6 50.5 -59.7 -43.5 -47.2 66.7 17.3 237 495 A M H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.939 108.5 52.1 -57.8 -46.7 -49.8 65.1 15.0 238 496 A C H < S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 106.1 53.8 -62.0 -33.8 -49.6 68.2 12.8 239 497 A Q H >< S+ 0 0 27 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.919 107.4 51.4 -64.3 -41.8 -45.8 67.8 12.6 240 498 A C H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.771 109.8 52.4 -62.1 -25.8 -46.4 64.2 11.4 241 499 A W T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.048 75.3 142.3-101.4 22.7 -48.7 65.6 8.8 242 500 A R < - 0 0 107 -3,-1.5 6,-0.1 1,-0.1 -3,-0.1 -0.421 55.7-130.4 -63.2 140.6 -46.4 68.2 7.3 243 501 A K S S+ 0 0 133 1,-0.1 -69,-0.1 -2,-0.1 -1,-0.1 0.926 96.8 67.4 -59.9 -45.3 -46.8 68.4 3.5 244 502 A D S > S- 0 0 69 1,-0.2 3,-1.5 2,-0.0 4,-0.4 -0.684 77.4-153.2 -78.4 113.1 -43.1 68.1 2.9 245 503 A P G > S+ 0 0 39 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.845 91.7 60.4 -58.6 -36.3 -42.2 64.6 4.0 246 504 A E G 3 S+ 0 0 161 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.740 101.0 56.0 -64.3 -22.4 -38.6 65.6 4.8 247 505 A E G < S+ 0 0 114 -3,-1.5 -1,-0.3 -5,-0.1 -4,-0.1 0.482 83.6 102.4 -92.2 -4.0 -39.9 68.1 7.4 248 506 A R S < S- 0 0 4 -3,-1.4 -8,-0.2 -4,-0.4 -9,-0.1 -0.488 83.0 -97.9 -72.2 151.1 -41.9 65.5 9.4 249 507 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.126 34.2-111.2 -64.9 164.4 -40.2 64.3 12.6 250 508 A T > - 0 0 50 1,-0.1 4,-2.5 -63,-0.0 5,-0.1 -0.572 22.0-118.6 -84.6 160.3 -38.2 61.1 13.0 251 509 A F H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -134,-0.3 0.830 117.0 62.5 -64.9 -32.5 -39.5 58.2 15.0 252 510 A E H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.941 108.9 41.6 -56.0 -45.1 -36.4 58.7 17.2 253 511 A Y H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.929 113.1 52.3 -66.3 -48.1 -37.9 62.1 18.0 254 512 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.915 108.6 51.5 -56.2 -44.7 -41.4 60.9 18.4 255 513 A Q H X S+ 0 0 38 -4,-3.0 4,-2.5 -142,-0.3 -1,-0.2 0.951 113.5 43.3 -56.6 -50.8 -40.4 58.2 20.8 256 514 A A H X S+ 0 0 43 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.902 112.5 51.6 -67.5 -42.0 -38.5 60.6 23.0 257 515 A F H < S+ 0 0 36 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.914 114.7 43.6 -58.8 -43.3 -41.1 63.4 23.0 258 516 A L H >< S+ 0 0 4 -4,-2.2 3,-0.9 -5,-0.3 4,-0.3 0.877 110.8 53.2 -74.2 -38.6 -43.8 60.8 24.0 259 517 A E H 3< S+ 0 0 112 -4,-2.5 3,-0.2 -5,-0.2 -1,-0.2 0.835 118.1 37.7 -62.9 -32.0 -41.7 59.1 26.7 260 518 A D T >X>S+ 0 0 75 -4,-1.8 4,-2.9 -5,-0.2 3,-1.7 0.336 85.5 114.3 -98.9 5.2 -41.0 62.5 28.3 261 519 A Y H <>>S+ 0 0 0 -3,-0.9 5,-3.1 1,-0.3 4,-1.4 0.816 73.6 45.0 -52.7 -45.1 -44.5 64.0 27.7 262 520 A F H 345S+ 0 0 53 -4,-0.3 -1,-0.3 -3,-0.2 7,-0.1 0.466 122.8 34.5 -90.3 2.2 -45.8 64.3 31.2 263 521 A T H <45S+ 0 0 115 -3,-1.7 -2,-0.2 5,-0.0 -1,-0.1 0.689 128.1 32.0-110.2 -44.7 -42.6 65.9 32.7 264 522 A S H <5S+ 0 0 89 -4,-2.9 -3,-0.2 -7,-0.1 -2,-0.2 0.803 135.9 14.0 -81.5 -31.0 -41.3 68.0 29.8 265 523 A T T < < + 0 0 35 -5,-3.1 3,-1.6 1,-0.1 -2,-0.1 -0.378 59.8 144.9-128.0 58.2 -47.8 68.5 30.1 267 525 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.671 74.5 61.6 -66.8 -15.1 -46.9 68.1 33.8 268 526 A Q T 3 S+ 0 0 122 -3,-0.1 -6,-0.1 2,-0.1 -5,-0.0 0.245 75.1 142.0 -93.8 10.8 -50.1 69.9 34.7 269 527 A Y < - 0 0 58 -3,-1.6 -3,-0.0 -7,-0.1 -7,-0.0 -0.218 30.4-168.9 -52.4 136.2 -52.3 67.2 33.1 270 528 A Q - 0 0 165 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -1.000 28.8-107.7-126.5 135.1 -55.6 66.4 34.9 271 529 A P - 0 0 97 0, 0.0 2,-0.1 0, 0.0 -43,-0.0 -0.312 37.5-166.9 -63.1 137.6 -57.7 63.4 34.0 272 530 A G - 0 0 30 -44,-0.1 -44,-0.0 -2,-0.0 0, 0.0 -0.292 41.7 -79.2-106.9-164.8 -61.0 64.1 32.2 273 531 A E S S+ 0 0 152 -2,-0.1 -45,-0.0 1,-0.1 -1,-0.0 0.897 124.7 7.1 -65.7 -41.1 -64.0 62.0 31.4 274 532 A N 0 0 79 -76,-0.0 -1,-0.1 -175,-0.0 -46,-0.1 0.758 360.0 360.0-113.7 -37.7 -62.3 60.3 28.4 275 533 A L 0 0 4 -174,-0.2 -173,-3.0 -5,-0.1 -170,-0.1 0.628 360.0 360.0-119.8 360.0 -58.7 61.3 28.3