==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JAN-06 2CDZ . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.DEBRECZENI,E.UGOCHUKWU,J.ESWARAN,P.FILIPPAKOPOULOS,S.DAS . 290 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 14.8 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 . 3 1.0 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 . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 1 0 0 2 1 1 0 0 0 1 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 . 2 1 1 0 0 3 1 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 1 299 A V 0 0 127 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.5 65.5 16.6 38.7 2 300 A S > - 0 0 54 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.205 360.0-126.7 -67.1 155.6 65.3 19.8 40.8 3 301 A H H > S+ 0 0 23 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.898 114.7 51.7 -63.9 -43.9 63.1 22.8 39.9 4 302 A E H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.899 113.7 44.6 -61.6 -40.1 66.2 25.1 40.2 5 303 A Q H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.838 113.6 49.2 -70.1 -38.7 68.0 22.7 37.8 6 304 A F H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 112.5 47.3 -66.2 -46.7 65.1 22.4 35.4 7 305 A R H X S+ 0 0 61 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.863 109.7 56.5 -61.0 -36.4 64.7 26.2 35.4 8 306 A A H X S+ 0 0 49 -4,-1.5 4,-1.0 -5,-0.2 -2,-0.2 0.901 106.5 47.6 -60.5 -47.5 68.4 26.4 34.8 9 307 A A H >X S+ 0 0 43 -4,-2.0 3,-0.6 1,-0.2 4,-0.6 0.910 112.9 49.0 -60.2 -43.8 68.3 24.2 31.7 10 308 A L H >X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.9 0.843 103.1 61.8 -65.6 -34.6 65.4 26.3 30.3 11 309 A Q H 3< S+ 0 0 117 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.776 98.0 57.4 -63.4 -28.7 67.3 29.5 31.0 12 310 A L H << S+ 0 0 159 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.777 113.2 41.0 -66.9 -28.9 70.1 28.4 28.6 13 311 A V H << S+ 0 0 33 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.1 0.814 102.6 72.1 -91.6 -40.9 67.4 28.1 25.9 14 312 A V S < S- 0 0 9 -4,-2.1 72,-0.2 1,-0.1 80,-0.1 -0.285 92.3 -90.6 -80.0 163.2 65.2 31.2 26.3 15 313 A D - 0 0 59 70,-2.2 72,-0.4 1,-0.1 -1,-0.1 -0.528 47.8-116.3 -67.4 134.4 66.1 34.8 25.6 16 314 A P + 0 0 121 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.349 68.5 43.6 -67.8 159.8 67.6 36.6 28.5 17 315 A G S S- 0 0 55 70,-0.1 70,-0.5 -2,-0.0 -2,-0.0 -0.345 87.9 -65.3 104.0 177.8 65.9 39.5 30.2 18 316 A D > - 0 0 73 -2,-0.1 3,-1.5 1,-0.1 4,-0.4 -0.941 31.7-161.3-112.0 112.2 62.5 40.7 31.4 19 317 A P T 3> S+ 0 0 3 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.444 81.0 84.2 -79.0 1.9 60.0 41.2 28.6 20 318 A R T 34 S+ 0 0 141 2,-0.2 68,-0.0 1,-0.2 -3,-0.0 0.630 87.1 60.4 -76.1 -15.2 57.8 43.4 30.7 21 319 A S T <4 S+ 0 0 84 -3,-1.5 -1,-0.2 1,-0.1 -4,-0.0 0.949 112.1 34.9 -59.8 -58.6 60.3 46.0 29.6 22 320 A Y T 4 S+ 0 0 46 -4,-0.4 21,-1.8 21,-0.1 2,-0.3 0.611 117.7 57.8 -76.5 -14.8 59.3 45.4 25.9 23 321 A L E < +A 42 0A 10 -4,-1.3 2,-0.3 19,-0.2 19,-0.2 -0.865 50.1 156.8-129.5 149.9 55.6 44.8 26.4 24 322 A D E +A 41 0A 70 17,-1.6 17,-2.7 -2,-0.3 -3,-0.0 -0.939 49.3 57.8-157.8 173.9 52.5 46.3 27.9 25 323 A N E - 0 0 123 -2,-0.3 2,-0.4 15,-0.2 -1,-0.1 0.906 64.6-168.2 62.6 47.3 48.6 46.3 27.7 26 324 A F E - 0 0 71 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.542 7.9-177.7 -69.2 121.4 48.3 42.6 28.6 27 325 A I E -A 39 0A 97 12,-2.4 12,-2.5 -2,-0.4 2,-0.2 -0.982 25.7-127.9-124.4 119.3 44.8 41.2 28.0 28 326 A K E +A 38 0A 107 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.445 28.8 174.3 -64.7 126.6 43.9 37.6 28.8 29 327 A I E - 0 0 89 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.503 56.5 -42.6-112.8 -8.4 42.3 35.9 25.8 30 328 A G E -A 37 0A 30 7,-1.3 7,-2.7 2,-0.0 2,-0.3 -0.973 49.0-100.5 166.7-176.5 42.1 32.3 27.2 31 329 A E E -A 36 0A 144 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.977 25.5-176.8-134.9 140.1 43.5 29.3 29.1 32 330 A G - 0 0 41 3,-3.2 5,-0.0 -2,-0.3 -2,-0.0 -0.422 46.8 -84.7-115.7-163.5 45.0 26.1 28.0 33 331 A S S S+ 0 0 86 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.910 125.3 36.5 -69.2 -45.7 46.3 22.9 29.6 34 332 A T S S- 0 0 12 1,-0.1 20,-0.5 24,-0.1 2,-0.3 0.674 127.3 -53.8 -90.8 -20.4 49.8 24.3 30.4 35 333 A G - 0 0 20 18,-0.2 -3,-3.2 23,-0.0 2,-0.3 -0.942 68.1 -51.1 177.5-151.7 48.9 28.0 31.2 36 334 A I E -AB 31 52A 59 16,-1.9 16,-2.8 -2,-0.3 2,-0.4 -0.738 35.2-141.7-112.1 158.0 47.2 31.2 30.1 37 335 A V E +AB 30 51A 35 -7,-2.7 -8,-2.9 -2,-0.3 -7,-1.3 -0.985 21.2 177.2-122.8 132.4 47.4 33.2 26.8 38 336 A C E -AB 28 50A 7 12,-2.7 12,-3.0 -2,-0.4 2,-0.4 -0.833 25.9-129.2-120.8 161.7 47.4 37.0 26.6 39 337 A I E +AB 27 49A 30 -12,-2.5 -12,-2.4 -2,-0.3 2,-0.3 -0.873 33.3 173.1-103.2 147.1 47.7 39.6 23.9 40 338 A A E - B 0 48A 2 8,-2.3 8,-3.0 -2,-0.4 2,-0.4 -0.932 28.4-118.3-144.8 166.1 50.2 42.4 24.5 41 339 A T E -AB 24 47A 42 -17,-2.7 -17,-1.6 -2,-0.3 6,-0.2 -0.915 22.2-132.9-110.2 136.2 51.6 45.3 22.5 42 340 A V E A 23 0A 50 4,-3.6 -19,-0.2 -2,-0.4 -20,-0.1 -0.611 360.0 360.0 -79.5 147.6 55.3 45.7 21.6 43 341 A R 0 0 108 -21,-1.8 -1,-0.1 -2,-0.2 3,-0.1 0.869 360.0 360.0 -94.4 360.0 57.0 49.1 22.2 44 ! 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 45 344 A G 0 0 86 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 0.2 53.5 49.0 18.1 46 345 A K - 0 0 85 -5,-0.1 -4,-3.6 -3,-0.1 2,-0.4 -0.287 360.0-132.1 -57.1 138.8 53.1 45.4 16.8 47 346 A L E -B 41 0A 73 -6,-0.2 51,-0.6 51,-0.1 -6,-0.2 -0.782 29.0-177.9 -95.9 142.7 50.6 43.3 18.9 48 347 A V E -BC 40 97A 2 -8,-3.0 -8,-2.3 -2,-0.4 2,-0.4 -0.788 27.1-116.5-131.4 168.8 51.6 39.8 20.0 49 348 A A E -BC 39 96A 10 47,-3.1 47,-3.3 -2,-0.2 2,-0.5 -0.964 25.6-160.2-110.1 130.4 50.3 36.7 21.8 50 349 A V E -BC 38 95A 0 -12,-3.0 -12,-2.7 -2,-0.4 2,-0.5 -0.956 3.5-161.0-115.9 116.6 52.0 35.7 25.1 51 350 A K E -BC 37 94A 8 43,-2.4 43,-2.5 -2,-0.5 2,-0.5 -0.835 12.2-163.1 -92.2 129.0 51.6 32.2 26.5 52 351 A K E -BC 36 93A 22 -16,-2.8 -16,-1.9 -2,-0.5 2,-0.4 -0.970 8.5-177.9-125.1 120.0 52.6 32.1 30.2 53 352 A M E - C 0 92A 0 39,-2.8 39,-2.9 -2,-0.5 2,-0.6 -0.973 24.4-131.5-127.9 125.2 53.3 28.8 32.0 54 353 A D E > - C 0 91A 35 -20,-0.5 3,-1.1 -2,-0.4 37,-0.2 -0.620 10.2-150.7 -78.8 118.2 54.1 28.1 35.6 55 354 A L T 3 S+ 0 0 1 35,-3.0 3,-0.4 -2,-0.6 -1,-0.2 0.764 96.1 48.2 -56.8 -28.8 57.2 25.9 35.9 56 355 A R T 3 S+ 0 0 135 34,-0.4 -1,-0.2 1,-0.2 5,-0.1 0.613 104.2 59.7 -90.2 -13.3 55.9 24.5 39.3 57 356 A K S < S+ 0 0 160 -3,-1.1 2,-0.4 -23,-0.1 -1,-0.2 -0.131 76.2 113.4-112.3 36.9 52.3 23.8 38.2 58 357 A Q - 0 0 34 -3,-0.4 3,-0.4 1,-0.1 -24,-0.1 -0.843 57.0-149.9-107.9 141.8 52.8 21.2 35.3 59 358 A Q S S+ 0 0 200 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.888 105.3 21.8 -69.9 -38.2 51.8 17.6 35.3 60 359 A R S > S- 0 0 102 1,-0.1 3,-1.5 -3,-0.1 4,-0.3 -0.784 72.8-178.0-131.1 88.5 54.7 17.0 33.0 61 360 A R T >> S+ 0 0 63 -3,-0.4 3,-1.8 -2,-0.4 4,-0.6 0.811 75.1 69.1 -56.0 -35.7 57.2 19.8 33.4 62 361 A E H >> S+ 0 0 99 1,-0.3 4,-1.4 2,-0.2 3,-0.7 0.773 85.3 70.6 -59.0 -27.2 59.6 18.5 30.6 63 362 A L H <> S+ 0 0 8 -3,-1.5 4,-2.1 1,-0.2 -1,-0.3 0.749 86.6 65.6 -61.2 -27.3 57.0 19.3 27.9 64 363 A L H <> S+ 0 0 2 -3,-1.8 4,-1.6 -4,-0.3 -1,-0.2 0.860 102.7 48.6 -59.1 -41.1 57.7 23.1 28.5 65 364 A F H - 0 0 52 -2,-0.5 3,-2.3 3,-0.3 52,-0.1 -0.979 53.0-113.8-142.0 147.9 56.3 26.6 8.3 77 376 A E T 3 S+ 0 0 140 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.803 119.7 45.9 -51.6 -30.2 53.6 28.6 6.6 78 377 A N T 3 S+ 0 0 10 46,-0.1 79,-2.9 78,-0.1 2,-0.4 0.040 99.1 84.4-104.5 23.1 51.0 26.6 8.6 79 378 A V B < S-e 157 0B 7 -3,-2.3 -3,-0.3 77,-0.3 79,-0.2 -0.994 86.5-107.0-129.3 133.2 52.7 26.8 12.0 80 379 A V - 0 0 4 77,-2.5 2,-0.4 -2,-0.4 -2,-0.1 -0.311 39.0-124.3 -55.3 131.4 52.3 29.6 14.5 81 380 A E - 0 0 96 -4,-0.1 16,-2.4 -6,-0.1 2,-0.4 -0.691 16.1-150.8 -85.3 132.4 55.5 31.7 14.6 82 381 A M E -D 96 0A 26 -11,-0.4 14,-0.3 -2,-0.4 3,-0.1 -0.877 12.0-176.8 -97.6 133.7 57.3 32.2 17.9 83 382 A Y E - 0 0 79 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.822 62.1 -18.9 -96.0 -43.0 59.3 35.5 18.2 84 383 A N E -D 95 0A 60 11,-1.6 11,-3.0 -69,-0.0 -1,-0.3 -0.958 50.9-146.1-157.9 168.8 60.9 35.1 21.6 85 384 A S E +D 94 0A 4 -2,-0.3 -70,-2.2 9,-0.2 2,-0.3 -0.989 18.5 175.8-148.6 149.3 60.8 33.3 25.0 86 385 A Y E -D 93 0A 33 7,-2.8 7,-2.9 -2,-0.3 2,-0.5 -0.932 29.8-125.5-147.9 162.4 61.6 34.4 28.5 87 386 A L E -D 92 0A 18 -70,-0.5 2,-0.4 -72,-0.4 5,-0.2 -0.973 25.0-179.7-112.0 130.3 61.7 33.3 32.1 88 387 A V E > -D 91 0A 14 3,-2.8 3,-1.8 -2,-0.5 2,-0.3 -0.907 63.7 -56.3-134.5 102.0 59.8 35.7 34.4 89 388 A G T 3 S- 0 0 48 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.477 122.9 -16.1 60.0-123.2 59.9 34.5 38.0 90 389 A D T 3 S+ 0 0 69 -2,-0.3 -35,-3.0 -3,-0.1 2,-0.4 0.188 121.2 96.2 -91.6 13.3 58.5 31.0 38.0 91 390 A E E < -CD 54 88A 68 -3,-1.8 -3,-2.8 -37,-0.2 2,-0.6 -0.890 63.0-145.5-116.2 138.7 56.9 31.4 34.6 92 391 A L E -CD 53 87A 0 -39,-2.9 -39,-2.8 -2,-0.4 2,-0.5 -0.881 22.5-164.3 -88.2 122.6 58.0 30.5 31.1 93 392 A W E -CD 52 86A 17 -7,-2.9 -7,-2.8 -2,-0.6 2,-0.5 -0.965 5.6-168.1-107.8 129.3 56.7 33.2 28.7 94 393 A V E -CD 51 85A 2 -43,-2.5 -43,-2.4 -2,-0.5 2,-0.6 -0.971 10.0-151.4-114.8 127.0 56.6 32.5 24.9 95 394 A V E +CD 50 84A 7 -11,-3.0 -12,-3.2 -2,-0.5 -11,-1.6 -0.879 27.4 164.2-103.2 120.7 55.9 35.4 22.6 96 395 A M E -CD 49 82A 13 -47,-3.3 -47,-3.1 -2,-0.6 -14,-0.2 -0.819 41.9 -75.6-132.0 166.8 54.2 34.5 19.4 97 396 A E E -C 48 0A 26 -16,-2.4 2,-0.5 -2,-0.3 -49,-0.2 -0.340 45.9-122.5 -61.1 144.6 52.4 36.1 16.5 98 397 A F - 0 0 62 -51,-0.6 2,-0.6 -18,-0.0 -1,-0.1 -0.813 18.9-155.2 -90.0 128.2 48.7 37.1 17.2 99 398 A L > - 0 0 13 -2,-0.5 3,-1.1 1,-0.1 50,-0.2 -0.946 0.6-159.4-108.6 117.5 46.2 35.4 14.9 100 399 A E T 3 S+ 0 0 115 -2,-0.6 50,-0.2 1,-0.2 -1,-0.1 0.683 82.0 66.2 -73.7 -21.8 43.1 37.6 14.6 101 400 A G T 3 S- 0 0 8 48,-2.1 186,-0.3 1,-0.2 -1,-0.2 0.456 90.4-151.2 -81.1 -4.9 40.7 34.8 13.4 102 401 A G < - 0 0 31 -3,-1.1 47,-2.3 47,-0.4 -1,-0.2 -0.175 36.8 -26.2 67.9-158.5 40.9 32.9 16.6 103 402 A A B >> -F 148 0B 29 45,-0.2 4,-0.7 1,-0.1 3,-0.7 -0.514 46.6-123.8 -95.2 155.7 40.5 29.1 16.9 104 403 A L H 3> S+ 0 0 0 43,-2.2 4,-2.5 40,-1.2 3,-0.4 0.769 102.8 76.6 -65.3 -26.9 38.6 26.6 14.8 105 404 A T H 3> S+ 0 0 36 39,-0.7 4,-1.9 42,-0.3 -1,-0.2 0.875 93.0 51.6 -50.9 -42.4 36.6 25.5 17.9 106 405 A D H <> S+ 0 0 43 -3,-0.7 4,-0.8 1,-0.2 -1,-0.3 0.862 110.2 48.8 -69.0 -35.4 34.5 28.6 17.6 107 406 A I H >X S+ 0 0 3 -4,-0.7 4,-2.1 -3,-0.4 3,-1.0 0.976 112.5 46.9 -63.4 -52.4 33.8 28.0 13.9 108 407 A V H 3< S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.795 113.7 46.8 -67.7 -27.9 32.7 24.3 14.4 109 408 A T H 3< S+ 0 0 78 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.624 123.3 32.7 -86.2 -14.6 30.4 25.0 17.4 110 409 A H H << S+ 0 0 106 -3,-1.0 2,-0.3 -4,-0.8 -2,-0.2 0.542 119.7 29.6-119.4 -13.9 28.6 27.9 15.8 111 410 A T S < S- 0 0 33 -4,-2.1 2,-0.6 -5,-0.1 -1,-0.1 -0.889 71.9-114.8-140.3 167.2 28.5 27.2 12.0 112 411 A R - 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0 0 67 1,-0.1 2,-1.4 18,-0.1 15,-0.1 -0.190 63.8-124.1 -57.5 143.4 53.3 8.7 27.6 176 475 A L + 0 0 40 14,-0.1 2,-0.4 12,-0.1 -1,-0.1 -0.677 54.9 145.4 -92.4 83.1 49.6 9.4 28.0 177 476 A V + 0 0 6 -2,-1.4 2,-0.3 2,-0.1 -15,-0.0 -0.970 26.9 57.7-123.4 141.7 49.4 12.9 26.7 178 477 A G S S- 0 0 18 -2,-0.4 -37,-0.1 -37,-0.1 3,-0.1 -0.959 87.5 -56.4 145.9-158.1 46.6 14.6 24.7 179 478 A T >> - 0 0 23 -2,-0.3 3,-2.4 -39,-0.2 4,-0.8 -0.995 49.8-122.9-124.2 119.6 42.9 15.3 25.2 180 479 A P G >4 S+ 0 0 32 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.725 105.5 47.1 -30.1 -59.5 40.7 12.3 26.0 181 480 A Y G 34 S+ 0 0 30 1,-0.3 36,-0.1 -3,-0.1 -3,-0.0 0.691 117.1 43.5 -67.5 -21.7 38.2 12.5 23.1 182 481 A W G <4 S+ 0 0 13 -3,-2.4 -1,-0.3 32,-0.1 22,-0.2 0.476 87.4 119.6 -99.3 -4.6 40.9 13.1 20.4 183 482 A M << - 0 0 13 -3,-1.4 -5,-0.1 -4,-0.8 15,-0.0 -0.353 64.9-118.3 -72.2 140.7 43.4 10.4 21.7 184 483 A A >> - 0 0 1 1,-0.1 4,-2.4 -2,-0.1 3,-1.0 -0.474 23.3-117.9 -75.2 147.0 44.4 7.5 19.5 185 484 A P H 3> S+ 0 0 6 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.798 113.7 53.7 -54.6 -36.4 43.6 4.0 20.7 186 485 A E H 34>S+ 0 0 9 70,-0.2 5,-2.4 2,-0.2 4,-0.1 0.786 110.7 47.0 -70.8 -27.4 47.2 3.0 20.9 187 486 A L H X45S+ 0 0 4 -3,-1.0 3,-1.2 2,-0.2 -1,-0.2 0.901 111.0 49.9 -80.4 -45.9 48.0 6.0 23.1 188 487 A I H 3<5S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 109.8 53.7 -53.1 -40.5 45.0 5.4 25.3 189 488 A S T 3<5S- 0 0 48 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.499 113.1-120.8 -77.0 -8.2 46.2 1.7 25.6 190 489 A R T < 5 + 0 0 152 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.828 62.2 145.6 71.9 37.6 49.7 2.9 26.7 191 490 A L < - 0 0 91 -5,-2.4 -1,-0.2 1,-0.1 -18,-0.1 -0.686 63.4 -81.0-101.0 154.4 51.5 1.2 23.8 192 491 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.357 63.3 179.7 -50.0 123.4 54.6 2.5 22.0 193 492 A Y B -I 173 0D 0 -20,-3.0 -20,-2.3 -2,-0.1 -18,-0.1 -0.832 16.7-175.8-129.2 169.0 53.3 5.1 19.5 194 493 A G > - 0 0 0 -2,-0.3 3,-1.8 -22,-0.2 4,-0.3 -0.534 57.7 -43.6-137.5-155.7 54.5 7.5 16.9 195 494 A P T >> S+ 0 0 24 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.652 114.7 81.4 -53.4 -22.0 53.4 10.3 14.5 196 495 A E H >> S+ 0 0 40 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.750 76.0 71.8 -60.0 -28.8 50.4 8.2 13.5 197 496 A V H <> S+ 0 0 3 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.860 93.2 55.0 -57.3 -35.5 48.6 9.4 16.7 198 497 A D H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.3 -1,-0.2 0.794 101.9 57.6 -67.1 -29.6 48.2 12.8 15.1 199 498 A I H S+ 0 0 2 -4,-1.7 4,-3.4 1,-0.2 5,-0.5 0.908 108.4 51.2 -56.6 -42.4 34.2 14.7 13.0 208 507 A E H X5S+ 0 0 6 -4,-1.9 4,-1.8 4,-0.2 -1,-0.2 0.896 109.4 50.1 -57.2 -44.5 34.1 18.1 14.9 209 508 A M H <5S+ 0 0 6 -4,-2.1 -96,-0.7 2,-0.2 -2,-0.2 0.842 121.6 32.8 -67.4 -34.3 34.0 19.9 11.6 210 509 A V H <5S+ 0 0 27 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.868 134.2 24.3 -86.3 -45.8 31.1 17.8 10.3 211 510 A D H <5S- 0 0 46 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.531 99.8-119.6-102.5 -12.9 29.1 17.0 13.4 212 511 A G S < - 0 0 6 0, 0.0 3,-1.1 0, 0.0 -32,-0.1 -0.374 58.3 -81.6 -74.0 161.8 34.0 14.8 18.9 215 514 A P T 3 S+ 0 0 20 0, 0.0 13,-0.1 0, 0.0 21,-0.0 -0.307 113.3 11.9 -60.3 147.7 32.4 11.4 19.5 216 515 A Y T > S+ 0 0 52 1,-0.1 3,-2.1 -3,-0.1 8,-0.1 0.668 80.0 149.1 61.5 23.1 31.3 10.5 23.0 217 516 A F T < + 0 0 83 -3,-1.1 -1,-0.1 1,-0.3 -36,-0.1 0.739 67.1 54.1 -63.0 -29.1 31.8 14.2 24.0 218 517 A N T 3 S+ 0 0 138 2,-0.1 -1,-0.3 6,-0.0 -2,-0.1 0.336 93.8 90.7 -85.7 3.7 29.0 14.0 26.6 219 518 A E S < S- 0 0 68 -3,-2.1 5,-0.1 1,-0.1 0, 0.0 -0.755 95.6 -90.8 -94.8 149.7 30.6 11.0 28.3 220 519 A P >> - 0 0 82 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.280 45.0-113.3 -50.7 142.0 33.1 11.4 31.2 221 520 A P H 3> S+ 0 0 60 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.831 115.4 51.7 -53.7 -40.4 36.6 11.5 29.6 222 521 A L H 3> S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.863 110.4 49.5 -64.4 -38.7 37.7 8.1 31.0 223 522 A K H <> S+ 0 0 63 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.854 110.6 50.5 -63.6 -38.4 34.5 6.4 29.7 224 523 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.895 108.6 52.1 -67.1 -38.7 35.1 8.0 26.2 225 524 A M H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.893 108.2 50.8 -64.8 -42.1 38.7 6.7 26.2 226 525 A K H X S+ 0 0 97 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.895 112.6 47.4 -58.7 -43.3 37.5 3.2 27.0 227 526 A M H X S+ 0 0 43 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.872 111.1 49.5 -65.4 -41.7 35.0 3.4 24.1 228 527 A I H < S+ 0 0 10 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.938 115.2 46.7 -59.0 -47.2 37.7 4.8 21.7 229 528 A R H < S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.784 123.2 29.6 -65.2 -35.4 39.9 1.9 22.8 230 529 A D H < S+ 0 0 100 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.690 106.4 71.6-102.1 -27.5 37.4 -0.9 22.5 231 530 A N S < S- 0 0 69 -4,-2.2 -4,-0.0 -5,-0.2 0, 0.0 -0.457 86.0 -85.5 -97.4 165.7 34.9 -0.0 19.8 232 531 A L S S- 0 0 149 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.169 70.0 -72.9 -50.2 154.3 34.8 0.3 16.0 233 532 A P - 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 -0.250 62.6 -97.1 -56.7 145.9 36.0 3.6 14.7 234 533 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 20,-0.1 -0.285 40.1-144.0 -66.6 148.0 33.5 6.4 15.3 235 534 A R - 0 0 203 -3,-0.1 2,-0.2 1,-0.0 3,-0.1 -0.788 22.7 -94.6-110.6 158.1 31.2 7.3 12.5 236 535 A L - 0 0 6 -2,-0.3 3,-0.4 1,-0.2 6,-0.1 -0.527 19.0-152.0 -67.3 129.2 29.7 10.6 11.4 237 536 A K S S+ 0 0 84 1,-0.2 2,-1.2 -2,-0.2 3,-0.3 0.925 100.6 51.6 -61.0 -46.1 26.3 11.3 12.8 238 537 A N S S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.604 74.5 138.4 -91.9 75.7 25.7 13.4 9.7 239 538 A L > + 0 0 79 -2,-1.2 3,-2.2 -3,-0.4 -1,-0.2 0.917 64.2 50.7 -91.1 -53.2 26.7 10.7 7.1 240 539 A H T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.783 105.2 63.8 -56.5 -28.1 24.2 10.9 4.2 241 540 A K T 3 S+ 0 0 81 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.444 94.2 78.4 -73.7 -2.0 25.0 14.7 4.2 242 541 A V S < S- 0 0 24 -3,-2.2 -3,-0.0 -6,-0.1 -32,-0.0 -0.848 80.6-111.3-118.2 151.0 28.7 14.0 3.2 243 542 A S > - 0 0 22 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.246 26.5-115.9 -72.7 159.3 30.4 13.2 -0.1 244 543 A P H > S+ 0 0 116 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.848 116.9 58.0 -61.3 -33.5 32.0 9.8 -0.9 245 544 A S H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.882 107.7 44.9 -61.4 -42.4 35.4 11.6 -1.2 246 545 A L H > S+ 0 0 1 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 113.9 49.1 -73.2 -42.0 35.1 12.9 2.4 247 546 A K H X S+ 0 0 36 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.925 112.7 46.8 -62.5 -46.5 34.0 9.5 3.8 248 547 A G H < S+ 0 0 25 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.851 112.6 50.8 -65.8 -36.1 36.8 7.6 2.1 249 548 A F H >X S+ 0 0 0 -4,-1.7 3,-1.5 -5,-0.2 4,-0.7 0.938 111.6 46.7 -62.0 -50.4 39.3 10.2 3.3 250 549 A L H >X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.3 3,-0.8 0.841 103.7 63.4 -65.1 -30.3 38.1 10.0 6.9 251 550 A D H 3< S+ 0 0 96 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.622 101.5 52.6 -66.9 -16.3 38.1 6.1 6.7 252 551 A R H <4 S+ 0 0 143 -3,-1.5 10,-2.3 -4,-0.4 3,-0.3 0.580 112.2 43.8 -93.5 -18.3 41.9 6.4 6.2 253 552 A L H << S+ 0 0 0 -3,-0.8 2,-1.5 -4,-0.7 -2,-0.2 0.840 107.1 57.6 -87.7 -45.1 42.5 8.6 9.3 254 553 A L S < S+ 0 0 8 -4,-2.3 2,-0.5 -51,-0.1 -1,-0.2 -0.440 70.8 135.7 -95.3 62.9 40.3 6.7 11.7 255 554 A V - 0 0 34 -2,-1.5 6,-0.2 -3,-0.3 5,-0.1 -0.954 47.6-148.9-111.7 122.3 42.0 3.3 11.4 256 555 A R S S+ 0 0 88 -2,-0.5 -70,-0.2 4,-0.1 -1,-0.1 0.897 83.9 71.0 -65.4 -42.7 42.5 1.7 14.8 257 556 A D S >> S- 0 0 87 1,-0.2 3,-1.7 -3,-0.1 4,-1.0 -0.644 73.5-155.7 -74.7 112.4 45.6 -0.2 13.8 258 557 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.755 91.3 63.0 -65.3 -23.8 48.3 2.6 13.5 259 558 A A T 34 S+ 0 0 78 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.703 109.5 40.2 -69.4 -21.5 50.3 0.4 11.1 260 559 A Q T <4 S+ 0 0 142 -3,-1.7 -1,-0.2 2,-0.1 2,-0.1 0.494 93.2 107.4-104.1 -7.5 47.4 0.5 8.6 261 560 A R S < S- 0 0 10 -4,-1.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.417 78.3-105.4 -68.1 142.9 46.5 4.1 9.2 262 561 A A - 0 0 10 -10,-2.3 2,-0.2 -2,-0.1 -1,-0.1 -0.348 31.8-127.1 -66.6 148.6 47.4 6.6 6.4 263 562 A T > - 0 0 65 1,-0.1 4,-2.3 -64,-0.0 5,-0.2 -0.474 23.6-109.0 -88.1 167.9 50.5 8.9 6.9 264 563 A A H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 -134,-0.2 0.917 120.9 52.3 -62.0 -40.5 50.4 12.7 6.4 265 564 A A H 4 S+ 0 0 60 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.911 110.5 47.7 -63.9 -43.8 52.4 12.3 3.2 266 565 A E H >4 S+ 0 0 115 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.920 110.0 52.0 -58.8 -48.5 49.9 9.8 1.8 267 566 A L H >< S+ 0 0 2 -4,-2.3 3,-1.7 1,-0.3 6,-0.3 0.743 94.9 69.3 -68.0 -25.1 46.9 11.9 2.7 268 567 A L T 3< S+ 0 0 55 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.716 99.8 51.8 -64.0 -20.1 48.3 15.0 0.9 269 568 A K T < S+ 0 0 184 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.364 84.2 120.0 -93.7 4.2 47.7 13.0 -2.3 270 569 A H X - 0 0 23 -3,-1.7 3,-1.4 1,-0.1 4,-0.4 -0.506 67.4-132.0 -77.1 136.0 44.0 12.2 -1.4 271 570 A P G > S+ 0 0 89 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.708 100.4 71.1 -59.2 -23.8 41.4 13.5 -3.9 272 571 A F G > S+ 0 0 0 -27,-0.3 3,-1.7 1,-0.3 4,-0.1 0.883 92.1 58.5 -59.5 -36.5 39.2 15.0 -1.1 273 572 A L G X S+ 0 0 11 -3,-1.4 3,-1.6 1,-0.3 -1,-0.3 0.670 86.8 76.0 -70.6 -17.9 41.9 17.7 -0.6 274 573 A A G < S+ 0 0 90 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.722 86.8 64.1 -58.3 -25.3 41.4 18.7 -4.2 275 574 A K G < S+ 0 0 90 -3,-1.7 -1,-0.3 -4,-0.4 -155,-0.2 0.593 73.9 131.3 -72.1 -14.0 38.2 20.4 -2.9 276 575 A A < - 0 0 30 -3,-1.6 -159,-0.2 -157,-0.2 -160,-0.1 -0.135 45.7-151.6 -48.2 125.5 40.2 22.8 -0.7 277 576 A G - 0 0 12 -161,-1.7 -1,-0.1 1,-0.2 -2,-0.0 -0.497 25.7 -90.1 -89.2 170.0 39.0 26.4 -1.2 278 577 A P > - 0 0 78 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.201 44.2 -94.5 -73.2 170.1 41.2 29.4 -0.8 279 578 A P G >> S+ 0 0 54 0, 0.0 3,-2.0 0, 0.0 4,-1.0 0.859 121.9 66.7 -53.0 -36.6 41.6 31.3 2.5 280 579 A A G 34 S+ 0 0 71 1,-0.3 -127,-0.1 2,-0.2 -126,-0.0 0.773 89.4 67.0 -59.4 -24.5 38.9 33.7 1.6 281 580 A S G <4 S+ 0 0 18 -3,-1.8 -1,-0.3 1,-0.2 4,-0.1 0.728 101.8 47.2 -66.3 -23.4 36.4 30.8 1.8 282 581 A I T X> S+ 0 0 2 -3,-2.0 3,-2.1 -4,-0.4 4,-0.6 0.808 90.7 82.8 -86.7 -29.3 37.0 30.6 5.6 283 582 A V G >< S+ 0 0 37 -4,-1.0 3,-1.4 1,-0.3 6,-0.2 0.802 85.5 54.2 -48.3 -47.5 36.6 34.3 6.3 284 583 A P G 34 S+ 0 0 82 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.707 101.0 62.8 -67.0 -15.5 32.8 34.5 6.5 285 584 A L G <4 S+ 0 0 15 -3,-2.1 -2,-0.2 -4,-0.1 5,-0.1 0.699 83.0 103.6 -73.0 -22.8 32.8 31.6 9.1 286 585 A M S X< S- 0 0 1 -3,-1.4 3,-1.9 -4,-0.6 4,-0.4 -0.331 81.7-118.8 -71.7 144.7 34.8 33.8 11.6 287 586 A R G > S+ 0 0 143 1,-0.3 3,-1.3 -186,-0.3 -1,-0.1 0.820 110.8 57.1 -44.5 -46.1 33.0 35.4 14.6 288 587 A Q G 3 S+ 0 0 107 1,-0.3 -1,-0.3 -187,-0.1 -2,-0.1 0.649 110.3 44.9 -67.8 -18.3 33.8 39.0 13.5 289 588 A N G < S+ 0 0 88 -3,-1.9 2,-0.3 -6,-0.2 -1,-0.3 0.309 101.5 84.1-106.1 2.7 32.1 38.4 10.2 290 589 A R < 0 0 65 -3,-1.3 -5,-0.1 -4,-0.4 -4,-0.0 -0.731 360.0 360.0-102.5 160.5 29.0 36.6 11.6 291 590 A T 0 0 197 -2,-0.3 -2,-0.1 0, 0.0 -1,-0.0 -0.536 360.0 360.0-149.0 360.0 25.8 38.2 13.0