==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUN-13 4L67 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PAK 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.WANG,J.SONG . 310 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14850.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.6 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 4 1 0 1 1 1 1 0 0 0 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 . 2 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 88 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 135.6 1.5 -20.5 20.3 2 301 A H H > + 0 0 15 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.915 360.0 55.0 -67.1 -47.5 2.5 -17.0 21.3 3 302 A E H > S+ 0 0 132 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.742 107.1 51.2 -69.5 -22.3 2.8 -17.5 25.1 4 303 A Q H > S+ 0 0 144 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.850 109.9 49.5 -83.7 -39.5 5.3 -20.4 24.5 5 304 A F H X S+ 0 0 15 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.975 110.7 49.9 -58.2 -57.1 7.4 -18.2 22.3 6 305 A R H X S+ 0 0 64 -4,-3.1 4,-3.6 1,-0.2 -2,-0.2 0.932 110.8 51.0 -44.3 -52.5 7.4 -15.5 24.9 7 306 A A H X S+ 0 0 52 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.920 109.4 49.7 -53.2 -45.9 8.4 -18.0 27.5 8 307 A A H >< S+ 0 0 34 -4,-2.2 3,-0.5 1,-0.2 4,-0.4 0.920 113.0 46.0 -65.4 -43.1 11.2 -19.2 25.4 9 308 A L H >X S+ 0 0 0 -4,-2.7 3,-2.6 1,-0.2 4,-1.9 0.910 101.2 66.5 -61.7 -45.3 12.5 -15.7 24.8 10 309 A Q H 3< S+ 0 0 81 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.884 96.2 59.1 -42.3 -38.8 12.1 -14.9 28.5 11 310 A L T << S+ 0 0 151 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.709 109.5 40.8 -70.4 -18.9 14.9 -17.4 29.0 12 311 A V T <4 S+ 0 0 68 -3,-2.6 -1,-0.2 -4,-0.4 -2,-0.2 0.705 99.8 80.7-101.6 -21.8 17.4 -15.5 26.8 13 312 A V S < S- 0 0 13 -4,-1.9 73,-0.2 -3,-0.1 3,-0.1 -0.483 87.9-104.7 -78.4 153.0 16.7 -11.9 27.9 14 313 A D - 0 0 41 71,-2.0 73,-0.5 -2,-0.1 -1,-0.1 -0.415 51.3-108.3 -60.8 151.2 18.1 -10.3 31.0 15 314 A P S S+ 0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.361 70.9 30.2 -89.9 173.0 15.2 -10.1 33.5 16 315 A G S S- 0 0 55 -3,-0.1 71,-0.3 -2,-0.0 -3,-0.0 -0.528 87.7 -59.8 94.7-153.8 13.3 -7.1 34.6 17 316 A D > - 0 0 66 -2,-0.2 3,-0.7 69,-0.1 71,-0.1 -0.982 24.6-167.9-149.7 114.2 12.3 -3.8 33.1 18 317 A P G >> S+ 0 0 0 0, 0.0 3,-3.4 0, 0.0 4,-1.2 0.674 79.6 86.1 -87.0 -15.4 14.8 -1.2 31.9 19 318 A R G 34 S+ 0 0 137 1,-0.3 69,-0.0 2,-0.2 0, 0.0 0.574 85.4 63.4 -52.6 -11.4 12.0 1.4 31.7 20 319 A S G <4 S+ 0 0 97 -3,-0.7 -1,-0.3 1,-0.1 -4,-0.0 0.635 109.1 32.5 -92.3 -21.0 13.0 1.8 35.2 21 320 A Y T <4 S+ 0 0 61 -3,-3.4 21,-3.4 21,-0.1 22,-0.4 0.461 109.6 71.7-116.4 1.9 16.6 3.0 34.6 22 321 A L E < +A 41 0A 8 -4,-1.2 2,-0.3 19,-0.2 19,-0.2 -0.835 50.1 163.1-117.4 149.0 16.1 4.9 31.3 23 322 A D E +A 40 0A 66 17,-1.6 17,-3.2 -2,-0.3 -3,-0.0 -0.949 45.4 59.7-155.2-179.9 14.6 8.2 30.3 24 323 A N E - 0 0 110 -2,-0.3 2,-0.2 15,-0.2 -1,-0.2 0.962 66.2-161.1 61.4 61.6 14.3 10.9 27.7 25 324 A F E - 0 0 77 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.487 11.1-174.9 -72.5 135.1 13.1 8.6 24.9 26 325 A I E -A 38 0A 77 12,-1.7 12,-0.7 -2,-0.2 2,-0.1 -0.921 17.1-141.1-132.3 112.3 13.6 10.0 21.4 27 326 A K E +A 37 0A 80 -2,-0.4 10,-0.2 10,-0.2 269,-0.1 -0.392 35.3 151.8 -71.1 143.6 12.2 8.0 18.5 28 327 A I + 0 0 38 8,-2.3 2,-0.3 1,-0.1 9,-0.2 0.378 44.8 43.2-150.5 10.5 14.4 8.0 15.5 29 328 A G - 0 0 7 7,-1.0 7,-0.5 264,-0.0 2,-0.3 -0.949 38.8-154.8-157.4 170.2 13.9 4.8 13.4 30 329 A E + 0 0 62 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.859 41.6 121.4-152.3 118.0 12.1 2.0 11.6 31 330 A G + 0 0 35 3,-1.3 2,-0.5 -2,-0.3 273,-0.1 -0.935 69.2 14.2-174.0 159.3 13.8 -1.4 10.8 32 331 A S S S- 0 0 40 -2,-0.3 2,-0.3 127,-0.1 21,-0.1 -0.675 124.7 -61.8 62.7-124.2 13.1 -5.1 11.6 33 332 A T S S+ 0 0 62 -2,-0.5 21,-0.2 2,-0.1 2,-0.1 -0.893 113.0 41.6-137.9 146.2 9.6 -4.2 12.8 34 333 A G S S- 0 0 19 -2,-0.3 -3,-1.3 19,-0.2 19,-0.2 -0.260 89.4 -58.9 99.2 165.1 9.3 -1.9 15.7 35 334 A I - 0 0 37 -5,-0.2 17,-2.6 -2,-0.1 2,-0.4 -0.198 22.6-140.7 -87.8 157.0 11.1 1.2 16.6 36 335 A V E + B 0 51A 39 -7,-0.5 -8,-2.3 15,-0.2 -7,-1.0 -0.935 33.1 171.7-103.6 138.4 14.6 2.5 17.3 37 336 A C E -AB 27 50A 4 13,-2.9 13,-1.7 -2,-0.4 2,-0.4 -0.859 24.7-135.3-135.5 175.4 14.7 5.1 20.2 38 337 A I E +AB 26 49A 15 -12,-0.7 -12,-1.7 -2,-0.3 2,-0.3 -0.970 27.7 168.6-131.5 145.0 17.5 6.8 22.1 39 338 A A E - B 0 48A 0 9,-2.0 9,-2.5 -2,-0.4 2,-0.5 -0.935 32.6-110.4-148.3 178.2 17.5 7.2 25.9 40 339 A T E -AB 23 47A 26 -17,-3.2 -17,-1.6 -2,-0.3 2,-0.6 -0.967 27.4-125.8-116.0 123.1 19.7 8.3 28.8 41 340 A V E > -A 22 0A 20 5,-2.8 4,-2.6 -2,-0.5 5,-0.5 -0.573 23.2-145.4 -63.4 113.6 20.9 5.7 31.4 42 341 A R T 4 S+ 0 0 170 -21,-3.4 -1,-0.2 -2,-0.6 -20,-0.1 0.931 92.6 51.1 -48.5 -54.1 19.6 7.5 34.5 43 342 A S T 4 S+ 0 0 108 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.861 125.0 21.9 -54.7 -43.2 22.6 6.3 36.7 44 343 A S T 4 S- 0 0 64 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.604 91.5-125.6-105.1 -15.7 25.4 7.4 34.3 45 344 A G < + 0 0 51 -4,-2.6 -3,-0.1 1,-0.3 2,-0.1 0.527 65.0 141.0 77.0 9.2 23.9 10.1 32.1 46 345 A K - 0 0 149 -5,-0.5 -5,-2.8 1,-0.1 2,-0.4 -0.376 51.1-114.2 -91.8 162.0 25.1 8.1 29.1 47 346 A L E +B 40 0A 86 -7,-0.2 51,-0.5 -3,-0.1 2,-0.3 -0.805 31.8 177.8-104.5 132.6 23.3 7.5 25.8 48 347 A V E -B 39 0A 4 -9,-2.5 -9,-2.0 -2,-0.4 2,-0.5 -0.843 27.4-127.7-124.9 169.4 21.9 4.3 24.5 49 348 A A E -BC 38 96A 13 47,-2.2 47,-3.0 -2,-0.3 2,-0.4 -0.977 24.9-162.6-117.2 119.8 20.0 3.1 21.5 50 349 A V E -BC 37 95A 0 -13,-1.7 -13,-2.9 -2,-0.5 2,-0.5 -0.899 1.9-164.1-111.8 131.9 16.9 1.1 22.4 51 350 A K E -BC 36 94A 10 43,-1.9 43,-2.4 -2,-0.4 2,-0.5 -0.978 4.3-164.9-125.8 122.3 15.2 -1.1 19.8 52 351 A K E - C 0 93A 26 -17,-2.6 2,-0.5 -2,-0.5 41,-0.2 -0.926 4.6-173.4-117.2 124.8 11.7 -2.4 20.4 53 352 A M E - C 0 92A 0 39,-2.0 39,-2.4 -2,-0.5 2,-0.4 -0.971 21.8-134.8-126.0 122.8 10.2 -5.2 18.5 54 353 A D E - C 0 91A 32 -2,-0.5 3,-0.4 37,-0.2 37,-0.2 -0.615 9.9-149.4 -72.7 128.6 6.6 -6.2 18.8 55 354 A L S S+ 0 0 3 35,-2.7 3,-0.2 -2,-0.4 -1,-0.1 0.786 94.1 58.8 -68.4 -29.2 6.5 -10.1 19.0 56 355 A R S S+ 0 0 147 34,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.706 102.2 55.2 -72.1 -23.6 3.0 -10.1 17.3 57 356 A K S S+ 0 0 126 -3,-0.4 2,-0.3 -24,-0.1 -1,-0.2 -0.782 77.4 113.4-116.3 90.9 4.2 -8.4 14.2 58 357 A Q - 0 0 35 -2,-0.7 3,-0.5 1,-0.2 4,-0.1 -0.980 61.5-134.1-154.6 142.3 7.1 -10.2 12.7 59 358 A Q S S+ 0 0 104 1,-0.3 2,-0.5 -2,-0.3 251,-0.2 0.980 106.8 6.1 -64.1 -50.1 7.6 -12.1 9.5 60 359 A R S > S- 0 0 32 1,-0.1 3,-1.9 249,-0.1 -1,-0.3 -0.897 76.5-163.2-132.1 103.2 9.3 -15.0 11.3 61 360 A R T > S+ 0 0 67 -2,-0.5 3,-2.3 -3,-0.5 4,-0.2 0.829 82.8 64.0 -61.4 -36.9 9.1 -14.3 14.9 62 361 A E T >> S+ 0 0 70 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.625 81.3 79.1 -72.6 -4.1 11.7 -16.8 16.0 63 362 A L H <> S+ 0 0 14 -3,-1.9 4,-1.0 1,-0.2 3,-0.4 0.750 77.2 80.8 -61.5 -22.3 14.3 -14.7 14.1 64 363 A L H <> S+ 0 0 2 -3,-2.3 4,-0.7 -4,-0.3 -1,-0.2 0.856 80.9 60.7 -52.1 -37.6 14.0 -12.7 17.2 65 364 A F H <> S+ 0 0 68 -3,-1.0 4,-0.5 -4,-0.2 3,-0.5 0.938 95.8 61.8 -53.5 -50.4 16.3 -15.1 19.1 66 365 A N H >X S+ 0 0 31 -4,-0.5 3,-3.1 -3,-0.4 4,-0.6 0.871 90.8 67.3 -45.3 -56.5 19.1 -14.3 16.7 67 366 A E H >< S+ 0 0 15 -4,-1.0 3,-1.3 94,-0.4 -1,-0.2 0.833 105.0 41.5 -17.7 -77.5 19.2 -10.6 17.7 68 367 A V H >< S+ 0 0 10 -4,-0.7 3,-0.6 -3,-0.5 -1,-0.3 0.481 91.8 90.8 -64.3 -8.4 20.5 -11.4 21.2 69 368 A V H << S+ 0 0 66 -3,-3.1 2,-1.3 -4,-0.5 -1,-0.3 0.863 74.8 66.6 -56.1 -39.7 22.9 -14.1 19.8 70 369 A I T X< S+ 0 0 17 -3,-1.3 3,-0.9 -4,-0.6 12,-0.3 -0.094 76.0 155.8 -79.9 42.4 25.7 -11.5 19.5 71 370 A M T < - 0 0 109 -2,-1.3 3,-0.1 -3,-0.6 12,-0.1 -0.528 69.2 -3.3 -75.3 127.8 25.8 -11.2 23.2 72 371 A R T 3 S- 0 0 208 -2,-0.3 -1,-0.2 10,-0.3 2,-0.1 0.452 103.6-173.5 72.1 3.0 29.1 -9.9 24.7 73 372 A D < - 0 0 21 -3,-0.9 9,-0.4 1,-0.2 -1,-0.3 -0.472 41.0 -46.2 -74.0 153.2 30.5 -10.0 21.2 74 373 A Y - 0 0 130 1,-0.5 -1,-0.2 -2,-0.1 3,-0.0 -0.751 45.9-134.1 -71.2 -38.1 33.0 -9.6 20.3 75 374 A Q + 0 0 127 -2,-0.3 -1,-0.5 4,-0.1 2,-0.3 -0.053 50.8 174.9 -78.7 110.6 33.3 -7.5 21.8 76 375 A H > - 0 0 22 1,-0.1 3,-1.5 4,-0.1 52,-0.1 -0.615 35.0-135.0 -82.7 138.9 34.6 -6.5 18.3 77 376 A E T 3 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.694 107.0 47.5 -68.6 -20.8 35.6 -3.0 17.7 78 377 A N T 3 S+ 0 0 11 78,-0.1 79,-3.5 49,-0.1 2,-0.4 0.250 99.5 85.6-102.0 11.7 33.8 -2.9 14.4 79 378 A V B < S-e 157 0B 4 -3,-1.5 2,-0.3 77,-0.2 79,-0.2 -0.895 89.0-106.4-111.3 141.5 30.6 -4.4 15.8 80 379 A V - 0 0 14 77,-2.1 2,-0.4 -2,-0.4 -4,-0.1 -0.492 41.6-125.9 -60.2 124.3 27.8 -2.5 17.5 81 380 A E - 0 0 55 -2,-0.3 16,-2.7 -4,-0.1 2,-0.4 -0.627 19.0-151.4 -77.6 130.2 28.1 -3.3 21.2 82 381 A M E -D 96 0A 28 -9,-0.4 -10,-0.3 -2,-0.4 14,-0.2 -0.841 14.9-179.1 -95.8 140.6 25.0 -4.7 22.9 83 382 A Y E - 0 0 100 12,-2.3 2,-0.3 1,-0.4 13,-0.2 0.783 59.1 -21.2-104.9 -38.7 24.5 -4.1 26.6 84 383 A N E -D 95 0A 46 11,-1.3 11,-2.9 2,-0.0 -1,-0.4 -0.985 45.0-147.1-165.7 162.8 21.3 -5.8 27.5 85 384 A S E +D 94 0A 0 -2,-0.3 -71,-2.0 9,-0.2 2,-0.3 -0.997 19.0 178.8-143.0 142.1 18.0 -7.3 26.3 86 385 A Y E -D 93 0A 14 7,-2.4 7,-3.0 -2,-0.3 2,-0.5 -0.933 30.3-125.7-137.2 159.9 14.7 -7.4 28.1 87 386 A L E +D 92 0A 10 -73,-0.5 2,-0.3 -71,-0.3 5,-0.2 -0.946 34.5 176.8-100.9 131.3 11.2 -8.6 27.5 88 387 A V E > -D 91 0A 8 3,-2.8 3,-1.3 -2,-0.5 2,-0.2 -0.893 56.9 -45.3-142.4 108.4 8.8 -5.6 28.1 89 388 A G T 3 S- 0 0 50 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.498 123.1 -25.4 65.5-136.0 5.1 -6.0 27.5 90 389 A D T 3 S+ 0 0 58 -2,-0.2 -35,-2.7 -3,-0.1 -34,-0.4 0.032 124.8 91.6 -93.9 30.9 4.7 -7.8 24.2 91 390 A E E < -CD 54 88A 57 -3,-1.3 -3,-2.8 -37,-0.2 2,-0.5 -0.886 67.5-134.0-128.3 153.0 8.1 -6.5 23.0 92 391 A L E -CD 53 87A 0 -39,-2.4 -39,-2.0 -2,-0.3 2,-0.6 -0.878 23.4-158.5 -98.0 134.2 11.8 -7.3 22.9 93 392 A W E -CD 52 86A 12 -7,-3.0 -7,-2.4 -2,-0.5 2,-0.5 -0.941 7.9-171.3-117.3 116.2 14.1 -4.5 23.9 94 393 A V E -CD 51 85A 4 -43,-2.4 -43,-1.9 -2,-0.6 2,-0.7 -0.918 8.2-161.2-102.6 127.2 17.6 -4.5 22.8 95 394 A V E +CD 50 84A 2 -11,-2.9 -12,-2.3 -2,-0.5 -11,-1.3 -0.871 26.3 153.9-113.5 106.6 19.7 -1.9 24.5 96 395 A M E -CD 49 82A 24 -47,-3.0 -47,-2.2 -2,-0.7 -14,-0.2 -0.480 43.8 -55.3-124.9-170.3 22.9 -1.1 22.7 97 396 A E - 0 0 31 -16,-2.7 2,-0.5 -49,-0.2 -1,-0.2 -0.193 50.9-122.5 -61.7 151.8 25.6 1.4 21.9 98 397 A F - 0 0 58 -51,-0.5 2,-0.8 -50,-0.1 -1,-0.1 -0.895 15.4-156.4-102.6 130.2 24.6 4.7 20.5 99 398 A L > - 0 0 13 -2,-0.5 3,-2.2 1,-0.1 50,-0.4 -0.745 7.7-172.4-111.2 85.2 26.1 5.6 17.1 100 399 A E T 3 S+ 0 0 87 -2,-0.8 50,-0.2 1,-0.3 -1,-0.1 0.534 75.4 66.1 -60.0 -9.4 26.0 9.4 17.0 101 400 A G T 3 S- 0 0 20 48,-2.8 -1,-0.3 1,-0.2 49,-0.2 0.435 95.6-138.7 -91.1 -4.1 27.1 9.6 13.4 102 401 A G E < -F 149 0B 35 -3,-2.2 47,-1.8 47,-0.5 -1,-0.2 -0.198 38.0 -38.7 79.6-171.1 24.1 8.0 11.9 103 402 A A E > -F 148 0B 31 45,-0.2 4,-0.5 1,-0.1 3,-0.3 -0.447 45.5-120.0 -87.0 163.6 24.0 5.4 9.1 104 403 A L H > S+ 0 0 0 43,-1.6 4,-2.6 40,-1.0 3,-0.3 0.727 102.1 77.3 -67.3 -27.6 26.1 5.3 5.9 105 404 A T H > S+ 0 0 17 39,-0.8 4,-2.0 42,-0.3 -1,-0.2 0.919 87.7 54.3 -59.3 -42.2 23.1 5.5 3.8 106 405 A D H 4 S+ 0 0 46 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.918 113.1 45.2 -60.3 -40.2 22.6 9.2 4.3 107 406 A I H >X S+ 0 0 3 -4,-0.5 4,-2.6 -3,-0.3 3,-1.6 0.936 109.8 53.3 -60.7 -51.8 26.2 9.6 3.1 108 407 A V H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.794 114.8 41.7 -57.8 -31.5 25.9 7.3 0.2 109 408 A T T 3< S+ 0 0 50 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.265 122.0 37.9-105.1 9.6 22.8 9.1 -1.1 110 409 A H T <4 S+ 0 0 104 -3,-1.6 2,-0.2 1,-0.2 -2,-0.2 0.518 117.1 28.6-131.9 -18.9 24.0 12.7 -0.5 111 410 A T S < S- 0 0 41 -4,-2.6 2,-0.6 -5,-0.1 -1,-0.2 -0.794 72.3-112.7-135.1 179.4 27.7 12.7 -1.3 112 411 A R - 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0 0 27 -2,-0.5 4,-2.1 1,-0.1 3,-0.7 -0.243 29.0-117.0 -56.4 145.0 40.1 3.2 -10.5 244 543 A P H 3> S+ 0 0 114 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.814 115.9 61.1 -49.7 -37.7 40.8 -0.2 -12.0 245 544 A S H 3> S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 27,-0.2 0.877 104.1 45.7 -58.6 -48.7 41.9 -1.3 -8.5 246 545 A L H X> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 3,-0.7 0.983 115.3 46.1 -61.2 -58.9 38.5 -0.6 -7.0 247 546 A K H 3X S+ 0 0 72 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.858 111.8 54.5 -53.2 -33.1 36.8 -2.4 -9.9 248 547 A G H 3X S+ 0 0 29 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.855 110.4 45.0 -68.4 -34.9 39.4 -5.2 -9.5 249 548 A F H X< S+ 0 0 0 -4,-1.9 3,-0.6 -3,-0.7 4,-0.5 0.908 112.1 52.1 -69.1 -48.8 38.5 -5.5 -5.8 250 549 A L H >X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 3,-0.7 0.763 100.9 63.1 -55.6 -31.7 34.8 -5.4 -6.7 251 550 A D H 3< S+ 0 0 79 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.825 97.6 55.0 -71.2 -31.4 35.4 -8.2 -9.2 252 551 A R T << S+ 0 0 77 -4,-0.8 10,-2.8 -3,-0.6 3,-0.3 0.676 113.8 45.3 -64.0 -21.4 36.4 -10.6 -6.4 253 552 A L T <4 S+ 0 0 0 -3,-0.7 2,-0.8 -4,-0.5 -2,-0.2 0.911 103.3 54.6 -93.9 -51.4 33.1 -9.8 -4.7 254 553 A L < + 0 0 15 -4,-2.2 2,-0.5 -51,-0.1 -1,-0.2 -0.227 69.1 144.7 -89.8 46.8 30.3 -9.9 -7.4 255 554 A V - 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0 0 26 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.390 45.0-131.2 -71.9 139.9 13.4 -0.5 0.9 304 51 B K - 0 0 99 -4,-0.1 2,-0.1 -2,-0.1 -273,-0.0 -0.491 24.6-118.4 -70.1 148.5 11.9 -2.8 3.5 305 52 B P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -126,-0.3 -0.495 23.9-146.6 -77.6 162.3 13.4 -6.4 3.7 306 53 B L + 0 0 106 -128,-1.9 2,-0.4 -2,-0.1 0, 0.0 -0.946 21.0 170.8-138.6 123.7 11.2 -9.4 3.1 307 54 B V - 0 0 7 -2,-0.4 -130,-0.2 -130,-0.1 -132,-0.0 -0.996 29.7-129.8-122.6 125.9 11.4 -12.8 4.8 308 55 B D - 0 0 66 -132,-0.6 -132,-0.1 -2,-0.4 -2,-0.0 -0.500 34.4 -83.4 -84.6 151.3 8.6 -15.3 4.2 309 56 B P - 0 0 81 0, 0.0 -249,-0.1 0, 0.0 -1,-0.1 0.609 55.2 -71.1 -35.7-172.0 6.7 -17.3 7.0 310 57 B A 0 0 84 1,-0.2 -250,-0.0 -251,-0.2 -2,-0.0 0.863 360.0 360.0 -61.7 -47.3 7.5 -20.5 9.1 311 58 B C 0 0 165 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.258 360.0 360.0 21.6 360.0 7.0 -23.1 6.3