==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-NOV-07 3BI6 . COMPND 2 MOLECULE: WEE1-LIKE PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.J.SQUIRE,J.M.DICKSON,I.IVANOVIC,E.N.BAKER . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 16.3 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 . 2 0.8 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.2 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 1 1 1 1 0 0 1 1 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 293 A S > 0 0 70 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 146.5 -6.3 71.5 33.2 2 294 A R H > + 0 0 94 2,-0.2 4,-3.6 3,-0.2 5,-0.4 0.947 360.0 55.6 -54.8 -52.2 -3.0 70.2 34.8 3 295 A Y H > S+ 0 0 13 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.948 112.7 41.1 -44.8 -58.6 -2.3 68.2 31.6 4 296 A T H 4 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.888 120.0 43.6 -64.3 -41.7 -2.5 71.4 29.4 5 297 A T H < S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 120.9 36.0 -77.2 -34.0 -0.7 73.6 31.8 6 298 A E H < S+ 0 0 72 -4,-3.6 21,-2.7 -5,-0.2 22,-0.5 0.770 116.1 46.5 -90.7 -15.5 2.2 71.3 32.9 7 299 A F E < -A 26 0A 6 -4,-1.9 2,-0.7 -5,-0.4 19,-0.2 -0.934 61.1-142.8-135.0 140.9 2.9 69.5 29.6 8 300 A H E -A 25 0A 95 17,-3.7 17,-2.7 -2,-0.3 2,-0.5 -0.930 28.5-137.8 -99.0 107.2 3.4 70.2 25.9 9 301 A E E +A 24 0A 85 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.587 28.3 173.4 -63.3 115.5 1.7 67.3 24.0 10 302 A L E - 0 0 81 13,-2.8 2,-0.3 -2,-0.5 14,-0.2 0.789 57.3 -5.6 -94.0 -37.8 4.1 66.4 21.1 11 303 A E E -A 23 0A 98 12,-1.4 12,-2.8 0, 0.0 2,-0.5 -0.969 57.7-120.0-164.6 135.1 2.6 63.2 19.4 12 304 A K E +A 22 0A 115 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.779 35.0 171.6 -77.6 127.1 -0.2 60.7 19.8 13 305 A I E + 0 0 69 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.401 58.7 24.0-120.0 -7.1 1.7 57.3 20.2 14 306 A G E -A 21 0A 25 7,-1.4 7,-2.6 2,-0.0 2,-0.3 -0.982 57.5-171.0-163.3 152.3 -1.1 55.0 21.1 15 307 A S E +A 20 0A 96 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.988 15.6 146.8-141.9 144.2 -4.9 54.7 20.8 16 308 A G - 0 0 49 3,-2.0 -2,-0.0 -2,-0.3 0, 0.0 -0.990 62.0 -88.8-163.3 173.4 -7.6 52.4 22.2 17 309 A E S S+ 0 0 121 -2,-0.3 -1,-0.2 1,-0.0 3,-0.0 0.969 128.7 36.0 -40.8 -59.2 -11.2 51.8 23.3 18 310 A F S S- 0 0 72 -3,-0.1 21,-0.4 20,-0.1 -2,-0.1 0.986 121.7 -7.2 -59.4 -91.6 -9.6 52.9 26.8 19 311 A G - 0 0 10 19,-0.2 -3,-2.0 -4,-0.1 2,-0.4 -0.139 45.8-129.1 -96.6-179.3 -7.0 55.6 26.3 20 312 A S E -AB 15 37A 25 17,-1.2 17,-2.7 -5,-0.2 2,-0.4 -0.948 25.3-149.5-117.8 153.0 -4.9 57.7 24.2 21 313 A V E -AB 14 36A 38 -7,-2.6 -8,-2.6 -2,-0.4 -7,-1.4 -0.955 15.0-171.1-114.9 133.7 -1.2 57.8 24.9 22 314 A F E -AB 12 35A 23 13,-2.5 13,-3.1 -2,-0.4 2,-0.5 -0.967 25.6-131.3-125.3 143.4 0.8 60.9 24.2 23 315 A K E -AB 11 34A 41 -12,-2.8 -13,-2.8 -2,-0.4 -12,-1.4 -0.834 42.3-178.3 -82.2 121.2 4.4 61.7 24.2 24 316 A C E -AB 9 33A 0 9,-2.9 9,-2.4 -2,-0.5 2,-0.5 -0.950 30.5-136.8-130.9 143.7 4.7 65.0 26.1 25 317 A V E -AB 8 32A 34 -17,-2.7 -17,-3.7 -2,-0.4 2,-0.6 -0.916 24.4-135.4 -91.9 128.1 7.3 67.5 27.3 26 318 A K E > -A 7 0A 43 5,-2.7 4,-2.1 -2,-0.5 -19,-0.3 -0.723 15.8-143.6 -79.0 123.6 6.9 68.6 30.9 27 319 A R T 4 S+ 0 0 138 -21,-2.7 -1,-0.1 -2,-0.6 -20,-0.1 0.863 91.1 45.4 -64.0 -35.3 7.4 72.3 30.7 28 320 A L T 4 S+ 0 0 146 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.872 122.9 29.8 -80.7 -37.9 9.2 72.8 34.0 29 321 A D T 4 S- 0 0 72 2,-0.2 -2,-0.2 -3,-0.0 -1,-0.2 0.598 93.1-132.4-102.2 -6.9 11.7 69.9 33.8 30 322 A G < + 0 0 52 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.518 60.9 127.9 70.7 6.0 12.2 69.7 30.1 31 323 A C - 0 0 64 -5,-0.2 -5,-2.7 1,-0.0 2,-0.4 -0.624 57.3-120.3 -98.6 161.0 11.8 65.8 30.0 32 324 A I E +B 25 0A 70 -7,-0.2 54,-0.8 -2,-0.2 2,-0.3 -0.779 32.1 177.8 -99.5 136.8 9.6 63.7 27.8 33 325 A Y E -BC 24 85A 16 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.5 -0.905 31.4-121.1-131.6 155.1 7.1 61.4 29.4 34 326 A A E -BC 23 84A 18 50,-2.1 50,-3.2 -2,-0.3 2,-0.5 -0.907 33.4-166.9 -94.5 127.7 4.5 59.0 28.1 35 327 A I E -BC 22 83A 0 -13,-3.1 -13,-2.5 -2,-0.5 2,-0.5 -0.963 9.6-158.9-122.8 123.2 1.0 60.1 29.4 36 328 A K E -BC 21 82A 49 46,-2.4 46,-1.9 -2,-0.5 2,-0.5 -0.851 5.5-167.7-100.5 133.0 -2.0 58.0 29.1 37 329 A R E +BC 20 81A 52 -17,-2.7 -17,-1.2 -2,-0.5 2,-0.2 -0.977 16.2 169.4-121.8 109.1 -5.4 59.8 29.4 38 330 A S E - C 0 80A 29 42,-2.8 42,-1.9 -2,-0.5 2,-0.4 -0.696 42.9 -87.1-116.1 169.7 -8.3 57.4 29.9 39 331 A K E - C 0 79A 63 -21,-0.4 40,-0.3 40,-0.2 38,-0.1 -0.698 48.8-110.2 -83.6 132.3 -12.0 58.1 30.8 40 332 A K - 0 0 64 38,-3.2 3,-0.1 -2,-0.4 8,-0.1 -0.443 36.5-131.3 -62.1 120.6 -12.6 58.3 34.5 41 333 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.301 36.0 -76.9 -69.5 163.9 -14.5 55.2 35.5 42 334 A L > - 0 0 73 1,-0.1 3,-2.4 2,-0.1 6,-0.5 -0.401 57.1-100.8 -62.3 127.1 -17.7 55.4 37.8 43 335 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.086 105.6 12.8 -48.1 143.0 -16.8 55.9 41.5 44 336 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.294 97.2 134.1 72.3 -10.6 -17.1 52.7 43.5 45 337 A S S <> S- 0 0 26 -3,-2.4 4,-2.0 1,-0.1 3,-0.4 -0.262 71.5-116.6 -72.1 157.1 -17.3 50.5 40.4 46 338 A V H > S+ 0 0 101 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.788 118.8 59.1 -59.4 -23.8 -15.3 47.3 39.9 47 339 A D H > S+ 0 0 108 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.837 101.0 49.8 -77.5 -36.6 -13.7 49.3 37.0 48 340 A E H > S+ 0 0 52 -6,-0.5 4,-2.9 -3,-0.4 5,-0.3 0.928 107.8 55.6 -62.3 -45.3 -12.5 52.1 39.2 49 341 A Q H X S+ 0 0 102 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.885 110.2 46.3 -49.2 -46.0 -10.9 49.4 41.5 50 342 A N H X S+ 0 0 44 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.927 112.1 50.4 -63.9 -46.6 -9.1 48.0 38.4 51 343 A A H X S+ 0 0 24 -4,-2.3 4,-1.0 1,-0.2 3,-0.2 0.880 112.5 46.2 -59.0 -41.8 -8.0 51.5 37.3 52 344 A L H X S+ 0 0 43 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.822 103.4 62.3 -79.9 -30.2 -6.6 52.3 40.8 53 345 A R H X S+ 0 0 88 -4,-1.9 4,-3.1 -5,-0.3 -1,-0.2 0.849 100.7 54.9 -57.6 -34.5 -4.8 49.0 41.1 54 346 A E H X S+ 0 0 30 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.884 111.1 45.4 -64.2 -39.8 -2.7 50.0 38.1 55 347 A V H X S+ 0 0 24 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.909 113.5 47.5 -69.1 -45.5 -1.8 53.2 39.9 56 348 A Y H < S+ 0 0 146 -4,-2.9 4,-0.5 2,-0.2 -2,-0.2 0.894 112.5 51.1 -65.8 -41.9 -1.1 51.4 43.2 57 349 A A H >X S+ 0 0 4 -4,-3.1 3,-1.4 -5,-0.2 4,-0.6 0.949 111.0 48.2 -58.4 -47.0 1.1 48.8 41.3 58 350 A H H >< S+ 0 0 1 -4,-2.4 3,-0.8 1,-0.3 12,-0.3 0.863 107.1 55.6 -60.2 -39.6 3.0 51.6 39.6 59 351 A A T 3< S+ 0 0 59 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.522 114.0 39.6 -76.5 -7.3 3.6 53.4 42.8 60 352 A V T <4 S+ 0 0 71 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.374 111.4 59.2-110.8 2.0 5.2 50.3 44.4 61 353 A L S << S+ 0 0 0 -3,-0.8 3,-0.3 -4,-0.6 -2,-0.1 -0.312 70.5 107.3-125.6 42.0 7.1 49.3 41.2 62 354 A G + 0 0 19 -3,-0.2 -1,-0.1 1,-0.2 7,-0.1 0.212 62.1 71.5-102.5 10.6 9.3 52.4 40.7 63 355 A Q S S+ 0 0 171 -3,-0.1 2,-0.4 6,-0.0 -1,-0.2 0.398 77.6 92.8-108.3 5.3 12.6 51.1 41.7 64 356 A H > - 0 0 36 -3,-0.3 3,-1.3 3,-0.1 57,-0.0 -0.867 59.8-149.6-116.7 135.4 13.4 48.7 38.8 65 357 A S T 3 S+ 0 0 64 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.623 101.6 50.9 -68.9 -11.4 15.3 49.3 35.5 66 358 A H T 3 S+ 0 0 13 83,-0.1 84,-2.7 2,-0.1 2,-0.4 0.048 99.5 71.2-113.3 20.7 13.1 46.7 33.7 67 359 A V B < S-e 150 0B 0 -3,-1.3 84,-0.2 82,-0.3 -3,-0.1 -0.991 96.7-104.5-132.2 130.8 9.8 48.1 34.7 68 360 A V - 0 0 9 82,-2.9 2,-0.1 -2,-0.4 -4,-0.1 -0.371 43.0-115.7 -51.3 126.8 8.7 51.4 33.2 69 361 A R - 0 0 105 -4,-0.1 16,-2.9 -7,-0.1 2,-0.4 -0.434 23.8-141.6 -66.5 140.1 9.1 54.2 35.9 70 362 A Y E +D 84 0A 48 -12,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.811 22.8 173.4 -99.2 139.6 6.0 56.0 37.2 71 363 A F E - 0 0 83 12,-2.8 2,-0.3 1,-0.5 13,-0.2 0.731 58.4 -27.5-107.4 -48.3 6.0 59.7 37.9 72 364 A S E -D 83 0A 26 11,-1.6 11,-3.3 2,-0.0 -1,-0.5 -0.975 41.2-158.2-166.6 158.5 2.4 60.8 38.7 73 365 A A E +D 82 0A 27 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.957 21.2 164.4-143.7 148.8 -1.2 60.1 38.2 74 366 A W E -D 81 0A 26 7,-2.1 7,-3.3 -2,-0.3 2,-0.3 -0.957 28.3-124.3-159.3 168.2 -4.2 62.5 38.7 75 367 A A E +D 80 0A 55 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.908 33.7 151.2-123.4 143.4 -7.9 62.9 37.9 76 368 A E E > -D 79 0A 33 3,-2.6 3,-0.8 -2,-0.3 2,-0.2 -0.756 60.3 -4.8 179.8 135.0 -9.5 65.9 36.1 77 369 A D T 3 S- 0 0 104 1,-0.2 -38,-0.0 -2,-0.2 -1,-0.0 -0.579 125.8 -44.6 67.7-144.4 -12.6 66.2 33.9 78 370 A D T 3 S+ 0 0 104 -2,-0.2 -38,-3.2 -3,-0.1 2,-0.4 -0.276 120.5 111.5 -99.4 40.4 -14.0 62.8 33.4 79 371 A H E < -CD 39 76A 59 -3,-0.8 -3,-2.6 -40,-0.3 2,-0.4 -0.963 54.7-158.0-122.2 140.0 -10.4 61.8 32.8 80 372 A M E -CD 38 75A 30 -42,-1.9 -42,-2.8 -2,-0.4 2,-0.4 -0.929 20.8-165.2-101.7 128.2 -7.8 59.7 34.7 81 373 A L E -CD 37 74A 0 -7,-3.3 -7,-2.1 -2,-0.4 2,-0.4 -0.948 14.2-173.1-121.2 143.4 -4.1 60.4 33.8 82 374 A I E -CD 36 73A 10 -46,-1.9 -46,-2.4 -2,-0.4 2,-0.6 -1.000 10.8-156.1-129.2 129.6 -0.9 58.5 34.4 83 375 A Q E +CD 35 72A 8 -11,-3.3 -12,-2.8 -2,-0.4 -11,-1.6 -0.946 24.7 170.4-111.6 116.4 2.5 60.0 33.5 84 376 A N E -CD 34 70A 21 -50,-3.2 -50,-2.1 -2,-0.6 -14,-0.2 -0.708 42.1 -72.7-123.7 165.1 5.3 57.4 33.0 85 377 A E E -C 33 0A 37 -16,-2.9 2,-0.5 -2,-0.2 -52,-0.2 -0.408 51.6-122.7 -52.5 131.4 8.9 57.2 31.7 86 378 A Y - 0 0 55 -54,-0.8 2,-0.7 -2,-0.1 -54,-0.1 -0.743 20.0-158.9 -80.3 125.6 9.0 57.6 27.9 87 379 A C > - 0 0 9 -2,-0.5 3,-1.1 1,-0.1 55,-0.2 -0.919 0.5-162.5-107.2 112.3 10.6 54.7 26.0 88 380 A N T 3 S+ 0 0 116 -2,-0.7 55,-0.2 1,-0.2 -1,-0.1 0.545 79.5 67.7 -78.7 -3.0 11.8 55.9 22.7 89 381 A G T 3 S- 0 0 39 53,-2.6 -1,-0.2 1,-0.3 54,-0.2 0.448 96.2-140.1 -94.2 4.8 12.2 52.5 21.0 90 382 A G < - 0 0 27 -3,-1.1 52,-2.4 52,-0.5 -1,-0.3 -0.283 43.2 -27.2 69.8-160.1 8.4 51.9 21.1 91 383 A S B > -F 141 0B 14 50,-0.2 4,-1.8 1,-0.1 50,-0.3 -0.481 48.9-122.0 -90.9 158.5 6.9 48.5 21.9 92 384 A L H > S+ 0 0 0 48,-2.9 4,-2.8 45,-0.9 46,-0.2 0.876 112.3 64.3 -58.5 -38.0 8.4 45.1 21.4 93 385 A A H > S+ 0 0 27 44,-1.5 4,-2.2 47,-0.3 -1,-0.2 0.894 103.9 45.4 -51.2 -48.1 5.3 44.4 19.2 94 386 A D H > S+ 0 0 109 2,-0.2 4,-2.5 43,-0.2 -1,-0.2 0.878 110.3 51.9 -67.9 -40.2 6.3 47.0 16.7 95 387 A A H X S+ 0 0 30 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.918 111.3 50.3 -59.2 -39.4 9.9 45.9 16.6 96 388 A I H X S+ 0 0 26 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.908 109.6 49.5 -60.4 -50.0 8.5 42.3 15.9 97 389 A S H X S+ 0 0 72 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.896 111.5 48.4 -53.0 -51.0 6.2 43.6 13.0 98 390 A E H >X S+ 0 0 37 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.951 113.0 48.3 -53.7 -52.3 9.1 45.4 11.4 99 391 A N H 3X>S+ 0 0 32 -4,-2.4 5,-1.5 1,-0.2 4,-0.8 0.777 107.3 57.0 -55.5 -37.7 11.3 42.2 11.7 100 392 A Y H 3<5S+ 0 0 100 -4,-1.8 3,-0.3 2,-0.2 -1,-0.2 0.867 107.3 47.9 -62.8 -40.0 8.5 40.1 10.3 101 393 A R H <<5S+ 0 0 183 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.870 118.1 39.5 -73.3 -34.8 8.3 42.2 7.1 102 394 A I H <5S- 0 0 102 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.477 103.7-128.1 -94.7 -2.8 12.1 42.2 6.5 103 395 A M T <5S+ 0 0 145 -4,-0.8 2,-0.4 -3,-0.3 -3,-0.2 0.790 72.7 119.5 54.9 38.3 12.6 38.5 7.5 104 396 A S < + 0 0 54 -5,-1.5 -2,-0.2 -6,-0.1 -1,-0.2 -0.980 41.8 178.1-131.8 113.0 15.3 39.4 10.0 105 397 A Y - 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0 0 8 -5,-1.7 -1,-0.2 1,-0.1 21,-0.1 -0.032 48.1 -99.2 -51.8 152.3 7.0 32.9 14.9 203 514 A E - 0 0 122 19,-0.5 -1,-0.1 1,-0.1 -2,-0.0 -0.374 63.0 -68.1 -58.8 156.7 3.7 33.4 13.1 204 515 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.181 63.1-108.4 -48.7 134.5 1.0 35.4 15.0 205 516 A L - 0 0 11 -3,-0.1 -35,-0.1 1,-0.1 2,-0.1 -0.407 33.2-107.5 -72.9 147.6 -0.2 33.4 17.9 206 517 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.400 14.4-153.8 -72.0 148.2 -3.7 31.8 17.9 207 518 A R S S- 0 0 141 1,-0.2 2,-0.3 -2,-0.1 -36,-0.1 0.653 73.6 -25.0 -90.9 -21.6 -6.5 33.2 20.0 208 519 A N S S+ 0 0 124 -38,-0.0 4,-0.4 0, 0.0 3,-0.3 -0.910 92.8 77.5-169.5-175.7 -8.5 30.0 20.3 209 520 A G S > S- 0 0 38 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 -0.320 96.7 -42.5 92.4-175.4 -9.0 26.8 18.3 210 521 A D H > S+ 0 0 148 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.785 133.4 55.1 -63.1 -37.8 -6.8 23.7 18.0 211 522 A Q H > S+ 0 0 136 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.851 105.9 53.9 -67.3 -34.0 -3.5 25.5 17.7 212 523 A W H > S+ 0 0 10 -4,-0.4 4,-1.6 -3,-0.3 3,-0.2 0.969 110.5 45.6 -58.3 -52.6 -4.2 27.4 21.0 213 524 A H H X S+ 0 0 97 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.839 107.3 58.7 -62.4 -39.9 -4.8 24.1 22.9 214 525 A E H ><>S+ 0 0 117 -4,-2.0 5,-1.4 2,-0.2 3,-0.5 0.895 105.6 47.8 -58.6 -46.4 -1.7 22.5 21.4 215 526 A I H ><5S+ 0 0 10 -4,-1.5 3,-2.8 -3,-0.2 -1,-0.2 0.906 106.4 58.6 -56.8 -42.3 0.7 25.2 22.8 216 527 A R H 3<5S+ 0 0 8 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 95.6 63.6 -68.9 -13.6 -1.1 24.7 26.1 217 528 A Q T <<5S- 0 0 127 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.421 130.6 -97.5 -80.3 3.6 0.0 21.0 25.9 218 529 A G T < 5S+ 0 0 6 -3,-2.8 2,-0.5 1,-0.3 -3,-0.2 0.605 79.0 141.6 90.2 14.5 3.6 22.4 26.1 219 530 A R < - 0 0 30 -5,-1.4 -1,-0.3 20,-0.1 -2,-0.1 -0.804 47.1-134.6 -94.0 120.9 4.4 22.4 22.3 220 531 A L - 0 0 37 -2,-0.5 3,-0.1 1,-0.1 16,-0.1 -0.466 25.3-110.3 -71.5 139.5 6.4 25.5 21.2 221 532 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.319 49.0 -81.5 -62.1 155.4 5.1 27.2 18.1 222 533 A R - 0 0 191 -3,-0.1 -19,-0.5 2,-0.0 -3,-0.0 -0.420 44.5-156.1 -54.4 127.9 7.4 26.8 15.0 223 534 A I - 0 0 28 -2,-0.2 2,-0.9 2,-0.1 -22,-0.1 -0.928 13.9-137.0-111.8 125.5 10.3 29.3 15.1 224 535 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 -119,-0.1 0.008 79.3 56.2 -80.0 37.8 11.9 30.1 11.7 225 536 A Q S S- 0 0 50 -2,-0.9 2,-0.5 -118,-0.0 -2,-0.1 -0.977 89.1 -97.6-154.4 163.2 15.6 30.0 12.8 226 537 A V - 0 0 144 -2,-0.3 2,-0.3 0, 0.0 -118,-0.2 -0.751 40.1-175.6 -89.0 125.8 17.9 27.5 14.4 227 538 A L - 0 0 19 -2,-0.5 5,-0.0 1,-0.1 -4,-0.0 -0.864 36.4 -88.8-113.6 151.2 18.4 27.9 18.2 228 539 A S > - 0 0 42 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.179 35.3-123.1 -44.7 142.2 20.6 26.0 20.6 229 540 A Q H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.852 112.7 57.9 -55.5 -40.9 18.9 22.9 22.0 230 541 A E H > S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.870 107.8 45.9 -60.9 -41.4 19.6 24.3 25.5 231 542 A F H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.918 111.1 50.5 -69.7 -45.4 17.6 27.4 24.7 232 543 A T H X S+ 0 0 50 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.851 108.9 53.6 -58.8 -39.9 14.6 25.6 23.1 233 544 A E H X S+ 0 0 117 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.901 107.0 51.6 -63.9 -43.6 14.4 23.4 26.1 234 545 A L H X S+ 0 0 3 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.951 111.8 45.5 -56.6 -52.2 14.2 26.4 28.4 235 546 A L H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.887 113.8 50.4 -60.8 -38.7 11.4 28.0 26.4 236 547 A K H >< S+ 0 0 114 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.917 108.8 49.1 -69.7 -45.0 9.6 24.7 26.2 237 548 A V H >< S+ 0 0 34 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.890 104.5 61.3 -60.9 -35.4 9.8 24.0 30.0 238 549 A M H 3< S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.686 108.5 44.1 -63.8 -22.3 8.4 27.7 30.6 239 550 A I T << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.211 83.8 143.6-103.7 15.6 5.2 26.6 28.7 240 551 A H < - 0 0 56 -3,-1.7 6,-0.2 1,-0.1 -22,-0.2 -0.207 58.3-127.7 -54.4 139.0 5.0 23.2 30.5 241 552 A P S S+ 0 0 60 0, 0.0 -66,-0.2 0, 0.0 -1,-0.1 0.826 99.6 71.2 -66.5 -19.9 1.3 22.4 31.2 242 553 A D S >> S- 0 0 67 1,-0.2 3,-1.9 2,-0.0 4,-0.7 -0.784 77.9-153.2 -91.4 110.3 2.2 21.8 34.8 243 554 A P G >4 S+ 0 0 13 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.814 91.5 60.9 -56.9 -29.6 2.8 25.3 36.2 244 555 A E G 34 S+ 0 0 127 1,-0.3 4,-0.1 -3,-0.1 -2,-0.0 0.707 97.0 59.8 -70.0 -24.0 5.2 23.9 38.9 245 556 A R G <4 S+ 0 0 130 -3,-1.9 -1,-0.3 2,-0.1 -6,-0.1 0.757 87.7 89.5 -70.3 -27.0 7.4 22.6 36.3 246 557 A R S << S- 0 0 6 -3,-1.0 -8,-0.2 -4,-0.7 2,-0.1 -0.352 89.4-107.2 -67.8 146.5 8.0 26.2 34.8 247 558 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.503 29.5-117.9 -72.8 150.1 11.0 28.0 36.4 248 559 A S > - 0 0 48 -2,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.356 35.1-101.8 -68.2 167.6 10.2 30.9 38.8 249 560 A A H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -126,-0.2 0.901 125.2 52.2 -63.4 -37.6 11.5 34.3 37.7 250 561 A M H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.946 108.4 47.8 -63.3 -52.2 14.4 33.9 40.0 251 562 A A H > S+ 0 0 43 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.924 111.6 55.0 -53.0 -43.4 15.4 30.4 38.7 252 563 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 6,-0.2 0.950 107.6 46.1 -51.1 -53.6 15.1 32.0 35.2 253 564 A V H 3< S+ 0 0 16 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.790 116.7 45.7 -67.4 -26.8 17.6 34.8 35.9 254 565 A K H 3< S+ 0 0 152 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.431 86.0 129.2 -89.0 -4.8 20.0 32.4 37.5 255 566 A H XX - 0 0 56 -3,-1.2 3,-0.7 -4,-0.7 4,-0.5 -0.197 62.7-133.7 -58.4 139.5 19.6 29.9 34.7 256 567 A S G >4 S+ 0 0 85 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.827 105.8 62.0 -66.3 -28.7 22.9 28.6 33.1 257 568 A V G 34 S+ 0 0 5 1,-0.2 -1,-0.3 2,-0.2 -26,-0.1 0.883 107.3 45.5 -60.7 -31.6 21.5 29.1 29.6 258 569 A L G <4 0 0 17 -3,-0.7 -1,-0.2 -6,-0.2 -2,-0.2 0.520 360.0 360.0 -94.6 -4.2 21.2 32.8 30.5 259 570 A L << 0 0 123 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.1 0.964 360.0 360.0 -76.6 360.0 24.8 33.0 32.0