==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUN-05 2BVA . COMPND 2 MOLECULE: P21-ACTIVATED KINASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.DEBRECZENI,G.BUNKOCZI,J.ESWARAN,P.FILIPPAKOPOULOS,S.DAS, . 548 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 8.2 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 29 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 6 1 0 3 3 2 1 0 0 0 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 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 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 1 300 A S 0 0 140 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.9 -9.7 58.2 -21.2 2 301 A H - 0 0 122 2,-0.0 4,-0.4 0, 0.0 5,-0.1 -0.757 360.0-122.8 170.4 146.3 -11.8 57.3 -24.2 3 302 A E S S+ 0 0 134 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 0.284 112.0 54.6 -89.6 5.9 -15.5 56.4 -24.7 4 303 A Q S >> S+ 0 0 87 2,-0.1 3,-1.3 3,-0.1 4,-0.8 0.697 106.5 49.0-100.8 -37.4 -14.6 53.1 -26.3 5 304 A F T 34 S+ 0 0 103 1,-0.3 -2,-0.2 2,-0.2 -1,-0.0 0.601 110.2 54.4 -74.4 -13.2 -12.5 52.0 -23.3 6 305 A R T 3> S+ 0 0 54 -4,-0.4 4,-1.3 1,-0.1 -1,-0.3 0.198 92.4 76.1 -98.5 8.7 -15.6 53.1 -21.4 7 306 A A H <> S+ 0 0 48 -3,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.897 96.9 42.3 -84.9 -44.3 -17.5 50.7 -23.7 8 307 A A H < S+ 0 0 64 -4,-0.8 -1,-0.2 1,-0.1 4,-0.2 0.167 114.1 63.0 -81.5 15.1 -16.3 47.7 -21.8 9 308 A L H >4 S+ 0 0 44 -3,-0.1 3,-0.9 -5,-0.1 -2,-0.2 0.848 94.0 48.1 -99.8 -68.5 -17.0 49.8 -18.7 10 309 A Q H >< S+ 0 0 40 -4,-1.3 3,-1.4 1,-0.3 -2,-0.1 0.831 105.4 61.4 -45.2 -47.8 -20.7 50.6 -18.5 11 310 A L T 3< S+ 0 0 127 -4,-0.8 2,-0.6 1,-0.3 -1,-0.3 0.899 99.8 53.7 -48.3 -51.7 -21.8 47.0 -19.1 12 311 A V T < S+ 0 0 49 -3,-0.9 2,-0.3 -4,-0.2 -1,-0.3 0.009 101.6 82.6 -78.4 32.1 -20.0 45.7 -16.0 13 312 A V S < S- 0 0 13 -3,-1.4 62,-0.1 -2,-0.6 63,-0.1 -0.994 84.0-108.6-141.4 139.4 -21.9 48.2 -13.9 14 313 A D - 0 0 24 60,-0.7 62,-0.2 -2,-0.3 2,-0.1 -0.354 37.9-138.9 -63.6 149.8 -25.4 48.4 -12.3 15 314 A P + 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.262 64.1 45.0 -97.1-168.6 -27.7 50.9 -14.0 16 315 A G S S- 0 0 7 60,-0.1 60,-0.3 -2,-0.1 276,-0.1 -0.599 92.4 -83.1 73.1-133.0 -30.2 53.4 -12.5 17 316 A D - 0 0 19 -2,-0.3 3,-0.2 276,-0.2 276,-0.2 -0.943 15.6-118.7-160.4 168.4 -28.8 55.3 -9.6 18 317 A P S >> S+ 0 0 7 0, 0.0 4,-2.4 0, 0.0 2,-2.1 0.787 97.1 79.4 -85.9 -33.6 -28.2 55.1 -5.8 19 318 A R T 34 S+ 0 0 171 1,-0.3 4,-0.1 2,-0.2 -3,-0.0 -0.223 72.5 81.1 -76.8 51.1 -30.4 58.1 -4.9 20 319 A S T 34 S+ 0 0 24 -2,-2.1 -1,-0.3 -3,-0.2 3,-0.1 0.543 118.8 7.1-110.2 -32.6 -33.6 56.0 -5.2 21 320 A Y T <4 S+ 0 0 67 -3,-1.6 17,-1.2 -4,-0.1 2,-0.3 0.568 129.4 67.6-109.8 -40.9 -33.1 54.5 -1.7 22 321 A L B < +A 37 0A 24 -4,-2.4 15,-0.2 15,-0.2 3,-0.1 -0.641 54.4 137.5 -90.7 142.5 -30.1 56.7 -0.7 23 322 A D + 0 0 70 13,-1.1 2,-3.1 -2,-0.3 -1,-0.1 0.618 36.0 86.4-149.9 -55.6 -30.6 60.4 -0.2 24 323 A N + 0 0 116 12,-0.2 13,-0.1 2,-0.0 -1,-0.1 -0.253 60.7 172.5 -74.5 60.3 -29.2 62.5 2.6 25 324 A F + 0 0 65 -2,-3.1 2,-0.2 11,-0.1 10,-0.2 -0.062 12.4 177.6 -63.2 163.5 -25.9 63.3 0.9 26 325 A I - 0 0 108 8,-0.2 2,-0.3 0, 0.0 8,-0.2 -0.805 34.5-118.2-165.6 127.9 -23.2 65.6 2.2 27 326 A K + 0 0 85 -2,-0.2 6,-0.2 6,-0.2 5,-0.1 -0.560 35.9 174.5 -66.5 128.3 -19.7 66.5 0.8 28 327 A I 0 0 96 4,-3.3 -1,-0.2 1,-0.6 5,-0.2 0.683 360.0 360.0-107.2 -26.4 -17.4 65.4 3.6 29 328 A G 0 0 75 3,-0.9 -1,-0.6 0, 0.0 3,-0.1 -0.899 360.0 360.0 160.8 360.0 -14.0 66.0 2.0 30 ! 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 31 334 A I 0 0 134 0, 0.0 2,-0.3 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 -69.5 -13.9 60.5 -0.3 32 335 A V + 0 0 53 -3,-0.1 -4,-3.3 13,-0.1 -3,-0.9 -0.048 360.0 24.2 40.3 -89.7 -16.6 62.9 -1.6 33 336 A C - 0 0 23 13,-0.7 2,-0.3 -2,-0.3 13,-0.3 -0.373 40.4-162.1-118.3 178.5 -19.9 61.9 -0.1 34 337 A I + 0 0 23 -8,-0.2 11,-0.2 11,-0.2 -8,-0.2 -0.891 19.7 173.4-157.8 127.9 -22.1 60.3 2.6 35 338 A A - 0 0 3 9,-1.0 2,-0.3 -2,-0.3 9,-0.3 -0.416 23.6-115.9-118.6-168.0 -25.8 59.4 2.3 36 339 A T - 0 0 40 7,-0.2 -13,-1.1 -2,-0.2 2,-0.6 -0.995 13.2-128.2-137.9 148.1 -28.4 57.5 4.3 37 340 A V B > -A 22 0A 28 5,-2.1 3,-0.5 -2,-0.3 4,-0.2 -0.844 11.0-159.8 -92.1 116.5 -30.4 54.3 3.9 38 341 A R T 3 S+ 0 0 172 -17,-1.2 -1,-0.1 -2,-0.6 -16,-0.1 0.768 91.8 62.3 -66.0 -23.6 -34.1 55.1 4.5 39 342 A S T 3 S- 0 0 64 -18,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.806 136.1 -13.2 -71.6 -34.9 -34.5 51.4 5.1 40 343 A S S < S- 0 0 108 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.0 0.553 91.1-110.5-132.4 -48.8 -32.3 51.3 8.1 41 344 A G + 0 0 35 1,-0.2 -3,-0.1 -4,-0.2 -2,-0.0 0.275 57.3 153.8 126.4 -3.4 -30.4 54.6 8.2 42 345 A K - 0 0 57 -6,-0.2 -5,-2.1 -5,-0.1 2,-0.3 -0.203 34.0-141.7 -50.2 144.7 -26.8 53.5 7.4 43 346 A L - 0 0 95 -7,-0.2 44,-0.4 44,-0.1 2,-0.3 -0.805 14.6-158.9-104.9 151.0 -24.6 56.1 5.8 44 347 A V - 0 0 13 -9,-0.3 -9,-1.0 -2,-0.3 2,-0.5 -0.939 11.9-135.7-129.9 154.2 -22.1 55.3 3.0 45 348 A A - 0 0 13 40,-1.3 -11,-0.2 -2,-0.3 2,-0.2 -0.961 23.8-170.2-114.0 117.2 -19.0 57.0 1.7 46 349 A V - 0 0 16 -2,-0.5 -13,-0.7 -13,-0.3 2,-0.3 -0.490 17.8-149.8 -92.5 159.4 -18.6 57.3 -2.1 47 350 A K - 0 0 92 36,-0.6 -15,-0.1 -2,-0.2 34,-0.0 -0.798 26.0-161.9-132.7 95.4 -15.6 58.3 -4.3 48 351 A K + 0 0 36 -2,-0.3 2,-0.3 34,-0.1 34,-0.2 0.062 13.8 171.9 -70.6 177.7 -16.9 59.9 -7.5 49 352 A M 0 0 60 32,-0.7 32,-0.1 0, 0.0 -1,-0.0 -0.944 360.0 360.0-171.4 178.8 -15.2 60.5 -10.8 50 353 A D 0 0 115 -2,-0.3 31,-0.2 30,-0.2 30,-0.0 -0.153 360.0 360.0-153.8 360.0 -15.9 61.6 -14.4 51 ! 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 52 362 A L > 0 0 162 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-156.2 -5.5 49.6 -15.1 53 363 A L T >> + 0 0 141 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.615 360.0 79.7 -70.2 -13.4 -8.2 51.3 -13.1 54 364 A F H 3> S+ 0 0 106 1,-0.2 4,-1.6 2,-0.1 5,-0.4 0.867 80.8 68.7 -48.7 -38.3 -10.2 48.7 -15.0 55 365 A N H <>>S+ 0 0 13 -3,-1.1 4,-0.7 1,-0.2 5,-0.5 0.742 92.9 49.6 -70.0 -31.3 -9.0 46.3 -12.3 56 366 A E H <>5S+ 0 0 37 -3,-0.6 4,-1.8 -4,-0.3 5,-0.4 0.981 111.9 47.7 -69.1 -51.4 -10.9 47.5 -9.3 57 367 A V H X5S+ 0 0 19 -4,-1.0 4,-0.9 1,-0.2 -2,-0.2 0.952 122.6 27.6 -56.9 -62.9 -14.3 47.6 -10.9 58 368 A V H X5S+ 0 0 38 -4,-1.6 4,-0.7 1,-0.2 3,-0.2 0.962 123.8 46.1 -64.9 -54.1 -14.5 44.2 -12.6 59 369 A I H <5S+ 0 0 15 -4,-0.7 3,-0.4 -5,-0.4 -3,-0.2 0.887 119.7 33.5 -62.2 -47.1 -12.2 42.2 -10.4 60 370 A M H < - 0 0 30 3,-0.3 3,-2.0 -2,-0.2 52,-0.0 -0.981 43.3-122.8-133.7 145.5 -14.6 39.6 2.9 66 376 A E T 3 S+ 0 0 134 -2,-0.3 3,-0.1 1,-0.3 51,-0.0 0.318 114.9 52.8 -64.1 0.6 -15.1 41.1 6.4 67 377 A N T 3 S+ 0 0 22 78,-0.1 79,-4.0 1,-0.1 2,-0.4 0.268 97.9 74.4-119.8 2.1 -11.6 42.4 6.2 68 378 A V B < S-b 146 0B 14 -3,-2.0 -3,-0.3 77,-0.3 2,-0.2 -0.991 93.2-109.4-124.8 119.6 -12.0 44.2 2.9 69 379 A V - 0 0 18 77,-0.8 2,-0.2 -2,-0.4 -3,-0.1 -0.354 46.6-117.2 -51.7 115.1 -14.0 47.5 2.7 70 380 A E - 0 0 86 -2,-0.2 16,-2.9 15,-0.1 2,-0.8 -0.375 16.6-148.7 -67.2 129.1 -17.1 46.3 0.8 71 381 A M E -E 85 0C 36 -8,-0.3 14,-0.2 -11,-0.3 -8,-0.1 -0.870 20.5-175.6 -95.6 105.0 -17.7 47.9 -2.6 72 382 A Y E - 0 0 87 12,-1.3 2,-0.3 -2,-0.8 -1,-0.2 0.980 48.8 -17.9 -73.5 -62.1 -21.5 47.8 -2.7 73 383 A N E -E 84 0C 38 11,-0.7 11,-2.4 2,-0.0 2,-0.4 -0.957 50.8-144.6-148.8 158.5 -22.7 49.0 -6.1 74 384 A S E +E 83 0C 0 -2,-0.3 -60,-0.7 9,-0.2 2,-0.3 -0.997 25.6 148.8-136.9 134.3 -21.6 51.0 -9.2 75 385 A Y E -E 82 0C 10 7,-2.9 7,-4.4 -2,-0.4 2,-0.3 -0.930 23.3-148.1-147.5 168.5 -23.4 53.4 -11.6 76 386 A L E -E 81 0C 7 5,-0.3 2,-0.6 -2,-0.3 5,-0.2 -0.961 6.5-157.8-147.7 139.1 -22.9 56.4 -13.8 77 387 A V S S- 0 0 93 3,-1.5 2,-0.5 -2,-0.3 3,-0.4 -0.954 76.3 -43.3-107.5 115.2 -24.9 59.4 -15.0 78 388 A G S S- 0 0 50 -2,-0.6 -28,-0.0 1,-0.2 0, 0.0 -0.553 131.1 -11.4 69.0-117.6 -23.5 60.7 -18.2 79 389 A D S S+ 0 0 106 -2,-0.5 2,-0.4 2,-0.0 -1,-0.2 -0.080 117.0 98.2-102.0 33.4 -19.7 60.8 -17.9 80 390 A E - 0 0 25 -3,-0.4 -3,-1.5 -32,-0.0 2,-0.4 -0.937 59.0-146.6-138.5 117.7 -19.6 60.1 -14.1 81 391 A L E -E 76 0C 31 -2,-0.4 -32,-0.7 -5,-0.2 2,-0.5 -0.634 10.4-161.9 -86.2 129.6 -19.1 57.0 -12.1 82 392 A W E -E 75 0C 85 -7,-4.4 -7,-2.9 -2,-0.4 2,-0.5 -0.932 7.2-172.4-107.3 123.3 -21.0 56.5 -8.8 83 393 A V E -E 74 0C 12 -2,-0.5 -36,-0.6 -9,-0.2 2,-0.4 -0.963 14.2-150.1-122.9 118.0 -19.6 53.9 -6.4 84 394 A V E -E 73 0C 12 -11,-2.4 -12,-1.3 -2,-0.5 -11,-0.7 -0.669 31.0-179.8 -78.4 131.6 -21.5 53.0 -3.2 85 395 A M E -E 71 0C 18 -2,-0.4 -40,-1.3 -14,-0.2 2,-0.6 -0.983 36.6-101.2-144.3 150.5 -18.9 51.9 -0.6 86 396 A E - 0 0 36 -16,-2.9 2,-0.3 -2,-0.3 -42,-0.1 -0.544 43.5-153.9 -71.3 111.7 -18.5 50.6 3.0 87 397 A F - 0 0 89 -2,-0.6 2,-0.3 -44,-0.4 -44,-0.1 -0.673 14.8-178.6 -97.0 142.9 -17.5 53.7 5.0 88 398 A L - 0 0 33 -2,-0.3 2,-0.5 51,-0.1 3,-0.3 -0.960 21.5-147.5-136.9 148.1 -15.5 53.4 8.3 89 399 A E + 0 0 138 -2,-0.3 52,-0.1 1,-0.1 -2,-0.0 -0.973 69.2 83.6-120.4 121.6 -14.2 55.9 10.8 90 400 A G S S- 0 0 24 -2,-0.5 49,-0.2 50,-0.1 -1,-0.1 0.366 75.0-133.4 163.1 -14.1 -10.9 54.8 12.3 91 401 A G - 0 0 31 -3,-0.3 47,-2.6 47,-0.1 2,-0.3 0.075 30.3 -55.5 76.0-175.3 -8.0 55.7 10.1 92 402 A A B > -C 137 0B 18 45,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.762 40.9-114.7-109.6 155.5 -5.0 54.1 8.7 93 403 A L T >> S+ 0 0 6 43,-1.0 4,-2.6 40,-0.7 3,-1.0 0.692 108.8 74.6 -62.2 -17.7 -2.1 52.3 10.5 94 404 A T H 3> S+ 0 0 32 39,-0.5 4,-1.2 42,-0.3 -1,-0.3 0.825 87.8 57.7 -64.9 -33.2 0.2 55.0 9.3 95 405 A D H <4 S+ 0 0 109 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.663 115.8 39.5 -70.3 -11.2 -1.2 57.5 11.8 96 406 A I H X> S+ 0 0 14 -3,-1.0 3,-1.8 -4,-0.4 4,-1.7 0.885 111.3 49.4 -98.8 -63.1 -0.1 55.0 14.4 97 407 A V H 3< S+ 0 0 9 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.772 104.1 62.9 -46.5 -36.1 3.2 53.5 13.4 98 408 A T T 3< S+ 0 0 76 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.1 0.704 115.9 21.1 -74.8 -19.4 4.7 56.9 12.8 99 409 A H T <4 S+ 0 0 155 -3,-1.8 2,-0.2 -4,-0.1 -2,-0.2 0.775 118.9 36.5-117.6 -43.6 4.6 58.4 16.3 100 410 A T S < S- 0 0 62 -4,-1.7 2,-0.6 173,-0.1 -1,-0.1 -0.579 77.4-107.3-110.5 176.2 4.3 55.6 18.9 101 411 A R - 0 0 206 -2,-0.2 97,-0.1 -3,-0.1 -4,-0.1 -0.895 30.9-147.3-109.0 111.2 5.7 52.1 19.4 102 412 A M - 0 0 19 -2,-0.6 2,-0.2 95,-0.5 -1,-0.0 -0.107 11.4-132.0 -64.9 168.3 3.3 49.2 18.9 103 413 A N > - 0 0 60 1,-0.0 4,-3.5 0, 0.0 5,-0.2 -0.731 28.0 -99.9-117.9 171.4 3.5 45.9 20.8 104 414 A E H > S+ 0 0 23 -2,-0.2 4,-3.0 2,-0.2 5,-0.2 0.772 120.2 56.2 -62.8 -30.1 3.3 42.3 19.7 105 415 A E H > S+ 0 0 65 2,-0.2 160,-1.6 3,-0.2 4,-1.4 0.958 115.8 36.3 -67.0 -50.5 -0.3 41.9 20.6 106 416 A Q H > S+ 0 0 20 2,-0.2 4,-1.5 158,-0.2 -2,-0.2 0.897 120.9 48.4 -63.4 -48.9 -1.3 44.9 18.4 107 417 A I H >X S+ 0 0 7 -4,-3.5 4,-2.5 1,-0.2 3,-0.5 0.948 109.4 51.9 -54.3 -50.7 1.3 43.9 15.8 108 418 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.3 5,-0.3 0.868 108.5 53.4 -60.9 -33.4 0.2 40.3 15.8 109 419 A A H 3X S+ 0 0 9 -4,-1.4 4,-1.1 2,-0.2 -1,-0.3 0.777 108.0 47.6 -69.7 -34.1 -3.4 41.5 15.2 110 420 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 -5,-0.2 3,-2.4 0.999 113.1 48.6 -61.3 -67.0 -7.6 38.6 3.6 118 428 A L H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 5,-0.3 0.805 101.8 65.8 -44.2 -46.0 -4.6 37.5 1.5 119 429 A S H 3X S+ 0 0 39 -4,-2.5 4,-0.8 1,-0.2 -1,-0.3 0.761 115.1 27.6 -49.8 -35.3 -5.4 33.8 2.2 120 430 A V H S+ 0 0 2 -4,-2.5 5,-2.2 -5,-0.2 -2,-0.2 0.846 110.5 47.9 -56.6 -29.1 -7.8 36.8 -2.2 122 432 A H H ><5S+ 0 0 30 -4,-2.6 3,-3.5 -5,-0.3 -1,-0.2 0.962 108.5 45.9 -83.6 -57.5 -4.9 34.6 -3.3 123 433 A A H 3<5S+ 0 0 97 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.876 108.3 62.3 -50.3 -35.0 -6.4 31.2 -3.9 124 434 A Q T 3<5S- 0 0 101 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.485 125.2-111.6 -70.8 -0.8 -9.1 33.3 -5.7 125 435 A G T < 5S+ 0 0 18 -3,-3.5 30,-1.7 1,-0.3 2,-0.3 0.742 74.8 121.4 82.6 30.1 -6.2 34.2 -8.0 126 436 A V B < -F 154 0D 3 -5,-2.2 2,-0.4 28,-0.2 -1,-0.3 -0.906 42.9-155.8-126.9 153.9 -5.7 37.9 -7.1 127 437 A I - 0 0 2 26,-0.9 26,-0.5 -2,-0.3 57,-0.0 -0.997 11.3-150.7-135.9 125.8 -2.7 39.9 -5.8 128 438 A H - 0 0 3 -2,-0.4 23,-0.2 24,-0.1 -1,-0.1 0.939 17.9-173.3 -57.5 -60.1 -2.8 43.2 -3.9 129 439 A R S S+ 0 0 19 54,-0.1 38,-0.2 1,-0.1 -1,-0.1 0.442 70.5 65.8 72.9 5.0 0.6 44.5 -5.1 130 440 A D + 0 0 17 36,-0.1 2,-0.5 2,-0.1 5,-0.1 -0.141 62.9 158.0-143.4 43.2 0.5 47.6 -2.7 131 441 A I + 0 0 1 39,-0.1 2,-0.3 3,-0.1 62,-0.1 -0.624 22.3 115.4 -76.7 121.7 0.7 46.0 0.8 132 442 A K S > S- 0 0 25 -2,-0.5 3,-1.7 60,-0.1 -38,-0.1 -0.915 81.3 -86.4-174.2 162.8 2.0 48.5 3.3 133 443 A S G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.3 -40,-0.7 0.835 120.9 67.9 -56.7 -28.7 0.6 50.2 6.4 134 444 A D G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -41,-0.2 -3,-0.1 0.674 95.6 54.1 -67.5 -18.1 -0.9 52.9 4.2 135 445 A S G < S+ 0 0 3 -3,-1.7 12,-3.5 -5,-0.1 2,-0.5 0.131 91.3 93.4-103.7 16.7 -3.3 50.5 2.6 136 446 A I E < - D 0 146B 1 -3,-1.6 -43,-1.0 10,-0.2 2,-0.3 -0.940 54.6-170.5-114.4 128.6 -4.8 49.3 5.9 137 447 A L E -CD 92 145B 52 8,-2.3 8,-2.4 -2,-0.5 2,-0.4 -0.859 7.1-148.3-118.5 154.4 -7.9 50.9 7.5 138 448 A L E - D 0 144B 5 -47,-2.6 6,-0.2 -2,-0.3 -47,-0.1 -0.945 12.9-127.8-124.0 144.3 -9.5 50.6 10.9 139 449 A T > - 0 0 9 4,-2.4 3,-0.7 -2,-0.4 -49,-0.1 -0.252 36.7-108.2 -68.3 165.2 -13.1 50.8 12.2 140 450 A H T 3 S+ 0 0 123 1,-0.2 -50,-0.1 2,-0.1 -1,-0.1 0.856 121.9 57.0 -68.5 -31.7 -13.7 53.1 15.1 141 451 A D T 3 S- 0 0 70 -52,-0.1 130,-0.3 2,-0.1 -1,-0.2 0.606 126.4 -98.3 -69.6 -18.4 -14.1 50.0 17.2 142 452 A G S < S+ 0 0 2 -3,-0.7 2,-0.4 1,-0.3 128,-0.2 0.710 70.9 146.7 100.3 28.2 -10.7 48.7 16.3 143 453 A R - 0 0 135 127,-0.1 -4,-2.4 125,-0.0 2,-0.4 -0.830 40.2-130.2-103.4 144.4 -11.4 46.2 13.6 144 454 A V E + D 0 138B 14 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.760 28.5 168.6-108.9 127.2 -8.9 45.7 10.8 145 455 A K E - D 0 137B 27 -8,-2.4 -8,-2.3 -2,-0.4 2,-0.5 -0.948 31.1-117.2-140.3 158.5 -9.3 45.8 7.0 146 456 A L E +bD 68 136B 4 -79,-4.0 -77,-0.8 -2,-0.3 -10,-0.2 -0.794 37.7 175.9 -98.3 127.0 -7.4 45.9 3.7 147 457 A S + 0 0 19 -12,-3.5 -12,-0.1 -2,-0.5 -13,-0.0 -0.472 35.8 51.2-117.3-176.7 -7.9 48.8 1.3 148 458 A D + 0 0 87 -2,-0.2 3,-0.3 1,-0.1 -1,-0.2 0.882 36.7 176.1 56.6 71.4 -6.8 50.4 -1.9 149 459 A F > + 0 0 7 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 -0.123 39.9 124.9 -91.3 35.1 -6.9 47.9 -4.8 150 460 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.2 -95,-0.1 -95,-0.1 0.498 79.9 40.1 -69.6 -2.9 -5.9 50.5 -7.4 151 461 A F T 3 S+ 0 0 77 -3,-0.3 -1,-0.2 -23,-0.2 -2,-0.1 0.509 88.9 116.0-124.3 -5.9 -3.0 48.3 -8.4 152 462 A C < - 0 0 1 -3,-0.7 2,-0.2 -99,-0.0 -97,-0.2 0.215 35.7-179.8 -59.5 179.8 -4.5 44.7 -8.4 153 463 A A - 0 0 2 -26,-0.5 -26,-0.9 -98,-0.1 2,-0.5 -0.883 29.0-106.1-178.6 156.6 -4.9 42.3 -11.3 154 464 A Q B F 126 0D 90 -2,-0.2 -28,-0.2 -28,-0.2 -29,-0.1 -0.838 360.0 360.0-103.8 121.6 -6.2 38.9 -12.2 155 465 A V 0 0 27 -30,-1.7 6,-0.1 -2,-0.5 -1,-0.1 0.042 360.0 360.0-108.1 360.0 -3.7 36.1 -12.9 156 ! 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 0.0 157 468 A E 0 0 185 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -90.3 -1.8 29.5 -17.9 158 469 A V + 0 0 75 1,-0.1 0, 0.0 -3,-0.0 0, 0.0 -0.410 360.0 129.1-128.8 50.3 -1.4 33.0 -16.6 159 470 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.582 62.0 63.7 -87.9 -10.4 -0.1 32.2 -13.1 160 471 A R - 0 0 169 22,-0.1 2,-0.3 -3,-0.1 22,-0.2 -0.742 62.4-173.3-113.9 158.7 2.9 34.5 -13.3 161 472 A R B -G 181 0E 37 20,-1.8 20,-1.8 -2,-0.3 -6,-0.0 -0.920 17.3-177.2-143.8 165.2 3.1 38.3 -13.7 162 473 A K + 0 0 51 -2,-0.3 2,-0.2 18,-0.2 20,-0.0 0.298 29.0 141.4-153.1 20.5 5.7 41.0 -14.3 163 474 A X - 0 0 104 1,-0.1 2,-0.9 2,-0.0 15,-0.0 -0.515 53.1-122.9 -74.0 134.0 4.2 44.5 -14.3 164 475 A L + 0 0 99 -2,-0.2 2,-0.3 12,-0.0 -1,-0.1 -0.623 61.7 125.6 -75.6 103.9 6.2 47.2 -12.7 165 476 A V + 0 0 36 -2,-0.9 2,-0.4 -36,-0.0 -14,-0.1 -0.995 24.6 54.8-160.8 153.2 3.9 48.6 -10.0 166 477 A G S S- 0 0 18 -2,-0.3 -36,-0.1 -36,-0.1 -2,-0.0 -0.956 89.3 -45.3 127.6-141.5 3.5 49.3 -6.3 167 478 A T >> - 0 0 37 -2,-0.4 3,-3.1 -38,-0.2 4,-0.8 -0.938 49.6-135.0-136.1 111.2 5.7 51.4 -3.9 168 479 A P G >4 S+ 0 0 27 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.674 98.2 57.2 -40.3 -50.6 9.4 50.9 -4.2 169 480 A Y G 34 S+ 0 0 30 1,-0.3 36,-0.1 33,-0.1 0, 0.0 0.590 117.0 37.3 -61.0 -14.2 10.4 50.6 -0.6 170 481 A W G <4 S+ 0 0 14 -3,-3.1 -1,-0.3 32,-0.1 22,-0.2 0.561 93.4 119.4-109.9 -15.5 7.9 47.8 -0.1 171 482 A M << - 0 0 15 -3,-0.9 -5,-0.1 -4,-0.8 -41,-0.0 0.089 67.0-105.3 -56.7 159.0 8.4 46.0 -3.5 172 483 A A > - 0 0 1 1,-0.1 4,-3.4 2,-0.0 5,-0.3 -0.647 18.8-131.9 -85.9 139.6 9.6 42.5 -4.0 173 484 A P H > S+ 0 0 2 0, 0.0 4,-4.2 0, 0.0 6,-0.3 0.930 112.0 51.0 -56.3 -45.4 13.2 41.9 -5.3 174 485 A E H 4>S+ 0 0 5 1,-0.2 5,-2.5 2,-0.2 7,-0.0 0.839 113.4 47.6 -58.3 -32.8 11.9 39.5 -8.0 175 486 A L H >45S+ 0 0 5 -3,-0.2 3,-0.8 3,-0.2 -1,-0.2 0.891 116.8 40.1 -74.7 -43.7 9.5 42.3 -8.9 176 487 A I H 3<5S+ 0 0 17 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.1 0.911 113.9 55.7 -69.0 -37.9 12.1 45.0 -8.9 177 488 A S T 3<5S- 0 0 40 -4,-4.2 -1,-0.2 -5,-0.3 -2,-0.2 0.404 113.0-121.7 -76.3 2.7 14.5 42.6 -10.6 178 489 A R T < 5 + 0 0 135 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.768 64.9 143.5 57.8 28.2 11.9 42.1 -13.3 179 490 A L < - 0 0 99 -5,-2.5 -1,-0.2 -6,-0.3 -2,-0.1 -0.829 63.3 -94.8 -90.5 134.9 11.9 38.3 -12.6 180 491 A P - 0 0 67 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.200 53.1-177.5 -50.5 133.5 8.4 36.8 -12.9 181 492 A Y B -G 161 0E 6 -20,-1.8 -20,-1.8 -6,-0.1 0, 0.0 -0.780 17.7-157.7-124.3 171.4 6.6 36.7 -9.6 182 493 A G > - 0 0 3 -2,-0.3 3,-1.5 -22,-0.2 4,-0.2 -0.428 61.6 -53.2-121.9-156.1 3.3 35.5 -8.2 183 494 A P T >> S+ 0 0 34 0, 0.0 3,-1.9 0, 0.0 4,-0.6 0.614 113.2 92.0 -57.6 -14.2 1.4 36.4 -5.0 184 495 A E H >> S+ 0 0 76 1,-0.3 4,-1.4 2,-0.2 3,-0.5 0.708 72.7 69.7 -59.2 -20.1 4.5 35.8 -3.0 185 496 A V H <> S+ 0 0 3 -3,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.866 92.3 56.7 -59.2 -40.2 5.3 39.5 -3.5 186 497 A D H <> S+ 0 0 0 -3,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.701 105.0 54.5 -64.4 -22.6 2.4 40.2 -1.2 187 498 A I H S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 5,-1.0 0.874 109.4 54.4 -59.0 -36.5 9.8 46.4 9.9 196 507 A E H <5S+ 0 0 8 -4,-1.7 4,-0.4 3,-0.2 -1,-0.2 0.879 107.4 47.7 -61.4 -42.2 7.4 49.4 9.9 197 508 A M H <5S+ 0 0 8 -4,-1.6 -95,-0.5 2,-0.1 -2,-0.2 0.816 120.6 37.6 -74.4 -28.0 5.6 48.1 13.0 198 509 A V H <5S+ 0 0 29 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.951 136.0 15.8 -88.9 -53.3 8.8 47.4 14.9 199 510 A D T <5S- 0 0 41 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.1 0.772 98.8-121.6 -92.0 -28.2 11.1 50.3 13.9 200 511 A G S - 0 0 3 0, 0.0 3,-1.3 0, 0.0 -32,-0.1 -0.619 55.2 -85.2 -78.0 148.2 10.5 50.7 5.9 203 514 A P T 3 S+ 0 0 29 0, 0.0 13,-0.0 0, 0.0 4,-0.0 -0.121 110.2 15.6 -55.7 149.9 14.2 50.1 5.1 204 515 A Y T > S+ 0 0 48 1,-0.1 3,-3.7 -3,-0.1 8,-0.1 0.522 78.6 140.2 67.3 6.9 16.2 52.6 3.0 205 516 A F T < + 0 0 80 -3,-1.3 -1,-0.1 1,-0.3 -36,-0.0 0.563 65.1 64.3 -64.1 -9.2 13.4 55.1 3.6 206 517 A N T 3 S+ 0 0 123 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.525 95.4 82.1 -77.3 -15.8 16.2 57.7 4.0 207 518 A E S < S- 0 0 47 -3,-3.7 0, 0.0 1,-0.1 0, 0.0 -0.585 93.1-101.8 -95.0 153.2 17.0 57.1 0.4 208 519 A P > - 0 0 79 0, 0.0 4,-1.8 0, 0.0 3,-0.2 -0.534 46.9-111.0 -64.6 142.5 15.5 58.3 -2.9 209 520 A P H > S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.779 107.2 52.8 -50.1 -40.2 13.3 55.5 -4.2 210 521 A L H > S+ 0 0 136 2,-0.2 4,-1.0 1,-0.2 3,-0.2 0.955 110.3 42.8 -70.9 -51.2 15.3 54.4 -7.2 211 522 A K H >> S+ 0 0 126 1,-0.3 4,-2.1 2,-0.2 3,-1.1 0.909 112.5 57.4 -59.0 -42.7 18.7 53.9 -5.7 212 523 A A H 3X S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.3 5,-0.3 0.891 99.5 58.0 -48.4 -45.4 16.9 52.2 -2.9 213 524 A M H 3X S+ 0 0 31 -4,-1.8 4,-0.7 1,-0.2 -1,-0.3 0.766 107.5 47.8 -61.2 -27.3 15.4 49.9 -5.5 214 525 A K H < S+ 0 0 21 -4,-3.3 3,-0.5 -5,-0.2 -1,-0.2 0.860 111.8 55.4 -67.4 -36.5 16.8 46.4 -2.3 217 528 A R H 3< S+ 0 0 114 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.1 0.790 119.4 22.0 -68.4 -35.9 18.1 44.6 -5.4 218 529 A D T 3< S+ 0 0 83 -4,-1.6 2,-0.3 2,-0.1 -1,-0.2 -0.057 100.5 84.3-138.3 42.0 21.6 43.6 -4.3 219 530 A N S < S- 0 0 66 -3,-0.5 0, 0.0 -4,-0.3 0, 0.0 -0.932 79.9 -95.5-131.4 160.9 21.8 43.5 -0.5 220 531 A L - 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