==== 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 TRANSPORT PROTEIN 22-FEB-10 3LVU . COMPND 2 MOLECULE: ABC TRANSPORTER, PERIPLASMIC SUBSTRATE-BINDING PR . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI; . AUTHOR C.CHANG,G.CHHOR,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 1031 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 704 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 7.2 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 2 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 . 77 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 5 2 2 4 0 8 4 0 4 4 0 1 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 4 0 8 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 4 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 1 311 A S 0 0 118 0, 0.0 186,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 -33.0 35.6 72.1 43.9 2 312 A N + 0 0 78 51,-0.2 50,-0.2 49,-0.1 52,-0.1 0.748 360.0 90.4 -55.4 -32.2 37.8 72.9 40.8 3 313 A A + 0 0 1 48,-0.2 184,-0.8 184,-0.2 48,-0.2 -0.293 58.8 79.5 -63.2 147.9 40.9 71.6 42.5 4 314 A G E -A 186 0A 0 46,-3.4 2,-0.4 182,-0.2 48,-0.3 -0.535 69.0-106.1 130.2 159.4 41.7 67.9 42.0 5 315 A X E +A 185 0A 3 180,-2.1 180,-2.6 -2,-0.2 2,-0.4 -0.986 27.2 178.6-123.9 135.2 43.2 65.7 39.3 6 316 A T E +A 184 0A 20 -2,-0.4 250,-2.5 250,-0.2 2,-0.3 -0.998 40.6 75.2-129.0 136.3 41.5 63.3 37.0 7 317 A G E S-AB 183 255A 1 176,-2.2 176,-2.3 -2,-0.4 2,-0.6 -0.981 85.2 -38.5 161.8-153.1 43.3 61.3 34.3 8 318 A F E -AB 182 254A 0 246,-2.0 246,-2.5 -2,-0.3 2,-0.3 -0.930 52.5-146.3-112.2 114.4 45.6 58.4 33.9 9 319 A V E -AB 181 253A 0 172,-2.6 172,-1.6 -2,-0.6 2,-0.5 -0.590 9.3-140.3 -81.9 142.9 48.2 58.0 36.7 10 320 A I E -A 180 0A 0 242,-2.9 2,-1.4 -2,-0.3 170,-0.2 -0.878 13.3-128.5-105.6 127.6 51.6 56.6 35.7 11 321 A N > - 0 0 4 168,-3.2 3,-1.9 -2,-0.5 6,-0.2 -0.616 26.3-177.0 -74.7 92.3 53.4 54.2 38.0 12 322 A T T 3 S+ 0 0 17 201,-1.6 -1,-0.2 -2,-1.4 202,-0.1 0.536 74.8 70.0 -72.3 -3.3 56.8 55.9 38.3 13 323 A R T 3 S+ 0 0 81 200,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.622 86.2 77.6 -81.1 -15.4 58.1 53.1 40.4 14 324 A R S X S- 0 0 81 -3,-1.9 3,-2.0 165,-0.1 4,-0.2 -0.878 92.9 -96.1-106.2 113.0 58.1 50.8 37.5 15 325 A A T 3 S+ 0 0 74 -2,-0.7 -2,-0.1 1,-0.3 -3,-0.0 -0.398 104.9 21.6 -60.0 141.2 60.9 51.1 35.0 16 326 A P T > S+ 0 0 30 0, 0.0 3,-1.9 0, 0.0 -1,-0.3 -0.949 113.7 69.0 -99.2 17.4 60.9 52.5 32.5 17 327 A F T < S+ 0 0 2 -3,-2.0 -2,-0.2 1,-0.3 6,-0.1 0.535 86.3 75.7 -65.3 -7.3 58.0 54.8 33.6 18 328 A D T 3 S+ 0 0 97 -4,-0.2 2,-0.6 -5,-0.1 -1,-0.3 0.569 75.3 91.9 -77.9 -10.1 60.5 56.3 36.1 19 329 A D S X> S- 0 0 30 -3,-1.9 4,-1.6 1,-0.1 3,-1.0 -0.796 70.6-151.0 -90.3 117.1 62.0 58.2 33.2 20 330 A W H 3> S+ 0 0 74 -2,-0.6 4,-2.3 1,-0.3 -1,-0.1 0.743 94.6 62.9 -58.7 -25.5 60.4 61.6 32.8 21 331 A R H 3> S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.827 102.1 48.9 -72.0 -34.1 61.1 61.5 29.1 22 332 A L H <> S+ 0 0 0 -3,-1.0 4,-2.5 -6,-0.3 -1,-0.2 0.905 112.1 49.1 -66.3 -41.2 58.9 58.5 28.6 23 333 A R H X S+ 0 0 16 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.905 109.4 52.2 -66.2 -36.1 56.2 60.3 30.6 24 334 A E H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.910 109.9 49.3 -63.1 -44.5 56.6 63.3 28.4 25 335 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 110.2 50.5 -61.3 -42.0 56.2 61.1 25.3 26 336 A L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.893 112.0 48.1 -62.8 -38.9 53.1 59.6 26.8 27 337 A L H >< S+ 0 0 1 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.910 111.1 49.5 -68.6 -42.6 51.7 63.0 27.5 28 338 A L H 3< S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 108.8 53.6 -64.3 -35.9 52.5 64.3 23.9 29 339 A A H 3< S+ 0 0 0 -4,-2.2 2,-0.9 -5,-0.2 -1,-0.2 0.665 87.6 91.3 -73.0 -18.2 50.8 61.2 22.4 30 340 A F << - 0 0 2 -4,-0.7 2,-1.6 -3,-0.6 3,-0.2 -0.733 67.3-157.6 -84.0 108.0 47.6 61.8 24.3 31 341 A N > + 0 0 9 -2,-0.9 4,-2.5 1,-0.2 5,-0.3 -0.626 17.5 174.6 -90.2 82.2 45.5 64.0 22.0 32 342 A F H > S+ 0 0 7 -2,-1.6 4,-3.2 1,-0.2 5,-0.2 0.891 73.8 53.8 -59.3 -40.7 43.2 65.6 24.5 33 343 A E H > S+ 0 0 52 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 113.4 41.9 -67.7 -38.7 41.5 67.9 22.1 34 344 A F H > S+ 0 0 63 60,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 116.7 47.9 -71.8 -41.3 40.6 65.1 19.7 35 345 A I H X S+ 0 0 1 -4,-2.5 4,-3.2 2,-0.2 5,-0.4 0.924 113.4 49.1 -64.2 -42.2 39.5 62.7 22.5 36 346 A N H X>S+ 0 0 9 -4,-3.2 6,-2.3 -5,-0.3 4,-1.9 0.875 110.2 49.5 -67.2 -41.8 37.5 65.5 24.1 37 347 A D H X5S+ 0 0 94 -4,-1.9 4,-0.9 4,-0.3 -1,-0.2 0.917 118.0 42.6 -56.4 -43.6 35.8 66.4 20.8 38 348 A T H <5S+ 0 0 79 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.889 125.6 28.3 -75.9 -42.5 35.0 62.7 20.3 39 349 A V H <5S+ 0 0 43 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.767 136.9 21.8 -91.9 -24.6 33.9 61.7 23.9 40 350 A T H ><5S- 0 0 24 -4,-1.9 3,-0.7 -5,-0.4 -3,-0.2 0.448 98.7-111.9-124.6 -12.0 32.5 65.0 25.2 41 351 A G T 3<< - 0 0 57 -4,-0.9 -4,-0.3 -5,-0.5 -3,-0.1 0.557 67.7 -78.0 75.1 7.7 31.6 67.1 22.1 42 352 A G T 3 S+ 0 0 32 -6,-2.3 -1,-0.2 -7,-0.1 -5,-0.2 0.577 105.6 117.5 81.8 12.9 34.5 69.3 23.2 43 353 A V < + 0 0 117 -3,-0.7 -2,-0.1 -7,-0.3 -6,-0.1 0.548 53.3 78.2 -93.0 -10.5 32.6 71.1 26.0 44 354 A X S S- 0 0 79 -8,-0.2 -2,-0.1 214,-0.0 -4,-0.1 -0.904 75.5-135.1-110.1 119.9 34.6 70.1 28.9 45 355 A P - 0 0 87 0, 0.0 213,-0.5 0, 0.0 2,-0.2 -0.260 25.6-104.3 -68.1 150.0 37.9 71.9 29.6 46 356 A R - 0 0 24 211,-0.1 2,-0.5 1,-0.1 211,-0.2 -0.470 28.1-115.1 -71.8 146.0 41.1 70.0 30.5 47 357 A I - 0 0 0 209,-2.5 3,-0.1 -41,-0.2 -1,-0.1 -0.742 31.7-170.0 -75.7 124.2 42.4 70.0 34.0 48 358 A T - 0 0 81 -2,-0.5 2,-0.3 1,-0.2 40,-0.2 0.561 60.5 -8.3-103.0 -10.7 45.6 71.9 33.6 49 359 A S S > S- 0 0 3 -45,-0.2 3,-1.2 38,-0.1 -1,-0.2 -0.953 81.3 -86.0-167.4-178.6 47.2 71.3 37.0 50 360 A Y T 3 S+ 0 0 3 194,-0.3 -46,-3.4 -2,-0.3 137,-0.1 0.815 128.2 30.5 -70.5 -33.1 46.3 69.8 40.4 51 361 A F T > S+ 0 0 0 -48,-0.2 3,-1.0 5,-0.1 6,-0.5 -0.008 89.2 150.3-111.9 26.0 44.8 73.1 41.7 52 362 A S T < + 0 0 2 -3,-1.2 3,-0.1 -48,-0.3 4,-0.0 -0.213 59.3 31.7 -62.5 150.9 43.6 74.4 38.4 53 363 A G T 3 S+ 0 0 53 1,-0.3 2,-0.3 -50,-0.1 -51,-0.2 0.612 109.5 85.5 76.3 13.3 40.5 76.6 38.2 54 364 A T S X S- 0 0 24 -3,-1.0 3,-1.3 -52,-0.1 -1,-0.3 -0.877 93.0-105.6-131.8 170.7 41.4 78.0 41.7 55 365 A D T 3 S+ 0 0 96 -2,-0.3 186,-0.1 1,-0.2 -3,-0.1 0.560 115.5 66.5 -69.3 -11.6 43.7 80.7 43.1 56 366 A L T 3 S+ 0 0 20 -5,-0.3 188,-0.3 184,-0.1 -1,-0.2 0.498 75.4 109.4 -90.5 -5.5 46.1 78.0 44.2 57 367 A A S < S- 0 0 11 -3,-1.3 184,-0.2 -6,-0.5 185,-0.1 -0.447 79.5-105.9 -65.1 140.2 47.0 77.0 40.6 58 368 A Y - 0 0 22 183,-0.2 -1,-0.1 182,-0.2 -2,-0.1 -0.331 34.0-109.4 -65.1 152.6 50.5 78.0 39.6 59 369 A R - 0 0 112 1,-0.1 -1,-0.1 -3,-0.1 186,-0.0 -0.713 38.1-110.6 -84.2 130.0 50.8 81.0 37.3 60 370 A P S S+ 0 0 122 0, 0.0 2,-0.2 0, 0.0 27,-0.1 -0.220 79.3 35.0 -59.8 147.4 51.9 80.0 33.7 61 371 A G S S- 0 0 34 25,-0.2 25,-0.2 2,-0.0 24,-0.1 -0.499 105.7 -7.4 104.5-172.0 55.4 81.0 32.7 62 372 A T S S- 0 0 99 22,-0.2 22,-0.2 -2,-0.2 2,-0.2 -0.258 76.7-106.5 -60.9 135.4 58.7 81.3 34.5 63 373 A A + 0 0 10 20,-2.2 2,-0.3 4,-0.1 -1,-0.1 -0.470 52.9 176.4 -60.8 130.2 58.5 80.9 38.2 64 374 A S >> + 0 0 86 -2,-0.2 4,-1.3 -3,-0.1 3,-0.8 -0.846 32.6 1.9-131.7 169.9 59.0 84.4 39.7 65 375 A G H 3> S- 0 0 49 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.134 123.3 -9.2 60.3-142.6 59.0 86.2 43.0 66 376 A R H 3> S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.827 134.9 57.8 -62.3 -36.0 58.5 84.3 46.2 67 377 A E H <> S+ 0 0 16 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.930 107.7 47.4 -60.1 -44.6 57.5 81.1 44.3 68 378 A A H X S+ 0 0 28 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.905 110.6 52.0 -65.4 -40.1 60.9 81.2 42.5 69 379 A E H < S+ 0 0 115 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.898 109.6 49.8 -60.2 -40.8 62.7 81.8 45.9 70 380 A L H < S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 118.1 39.6 -67.5 -34.8 61.0 78.8 47.4 71 381 A L H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 4,-0.3 0.741 92.0 87.5 -86.3 -20.9 61.9 76.6 44.5 72 382 A A G >< S+ 0 0 58 -4,-2.1 3,-1.6 1,-0.3 4,-0.3 0.783 81.4 58.5 -56.7 -37.7 65.5 77.9 43.9 73 383 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.719 110.6 44.4 -62.1 -21.7 67.2 75.5 46.3 74 384 A F G X> S+ 0 0 37 -3,-2.2 3,-1.6 1,-0.1 4,-1.0 0.304 79.8 115.9-102.1 6.5 65.8 72.5 44.4 75 385 A A G X4 S+ 0 0 48 -3,-1.6 3,-0.7 1,-0.3 8,-0.1 0.823 73.6 49.3 -50.2 -47.8 66.6 73.9 40.9 76 386 A A G 34 S+ 0 0 101 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.779 118.5 41.0 -62.4 -26.4 69.2 71.3 39.9 77 387 A D G <4 S+ 0 0 140 -3,-1.6 -1,-0.2 -4,-0.1 -2,-0.2 0.429 87.1 110.4-106.0 -3.6 66.8 68.4 40.9 78 388 A L S << S- 0 0 17 -4,-1.0 3,-0.1 -3,-0.7 168,-0.0 -0.332 83.8 -85.8 -70.9 156.4 63.4 69.7 39.7 79 389 A P > - 0 0 21 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.352 63.1 -88.9 -58.1 139.6 61.6 68.0 36.8 80 390 A P T 3 S+ 0 0 55 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.234 115.0 24.3 -56.0 141.0 63.0 69.6 33.6 81 391 A G T 3> S+ 0 0 19 -3,-0.1 4,-1.5 5,-0.1 168,-0.0 0.346 85.1 119.6 89.8 -7.0 60.9 72.6 32.6 82 392 A T T <4 S+ 0 0 0 -3,-2.1 4,-0.5 1,-0.2 3,-0.3 0.951 84.5 27.9 -56.8 -56.0 59.6 73.3 36.2 83 393 A L T 4 S+ 0 0 46 -4,-0.2 -20,-2.2 1,-0.2 -1,-0.2 0.799 116.4 61.2 -79.2 -29.0 61.1 76.8 36.6 84 394 A E T 4 S- 0 0 131 -22,-0.2 -22,-0.2 1,-0.1 -1,-0.2 0.743 124.6 -90.2 -69.2 -25.8 61.0 77.6 32.8 85 395 A G < - 0 0 31 -4,-1.5 2,-0.4 -3,-0.3 -23,-0.2 0.577 42.7-149.9 108.9 95.9 57.3 77.2 32.7 86 396 A Y + 0 0 16 -4,-0.5 2,-0.3 -25,-0.2 -25,-0.2 -0.757 17.2 176.1 -91.6 138.2 55.7 73.9 32.0 87 397 A A - 0 0 75 -2,-0.4 3,-0.1 -27,-0.1 -38,-0.1 -0.989 35.7-100.0-136.7 149.6 52.3 73.5 30.2 88 398 A L - 0 0 22 -2,-0.3 2,-0.1 -40,-0.2 -60,-0.0 -0.252 50.4 -92.6 -58.8 148.8 50.5 70.3 29.1 89 399 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 -57,-0.2 -0.405 35.3-150.2 -64.5 142.6 50.7 69.5 25.4 90 400 A Q - 0 0 149 -3,-0.1 -59,-0.1 -58,-0.1 10,-0.1 -0.979 14.8-130.1-114.9 132.7 48.0 70.8 23.1 91 401 A G - 0 0 19 -2,-0.4 4,-0.1 1,-0.1 -62,-0.0 -0.043 22.4-109.7 -71.3 176.5 47.0 68.8 20.0 92 402 A D - 0 0 41 2,-0.3 3,-0.1 355,-0.1 -1,-0.1 0.311 54.8-100.2 -94.4 6.6 46.7 70.3 16.5 93 403 A G S S+ 0 0 55 1,-0.3 2,-0.3 2,-0.0 3,-0.0 0.637 95.0 91.3 82.3 14.2 42.9 70.0 16.3 94 404 A T S S- 0 0 49 1,-0.1 -1,-0.3 0, 0.0 -2,-0.3 -0.860 83.1-115.1-130.3 169.4 43.1 66.8 14.2 95 405 A A S S+ 0 0 64 -2,-0.3 -64,-0.1 1,-0.2 -1,-0.1 0.836 111.3 56.8 -69.5 -34.4 43.1 63.0 14.8 96 406 A R S S- 0 0 36 1,-0.1 -1,-0.2 -4,-0.1 5,-0.1 0.849 76.1-169.8 -76.5 -35.9 46.6 62.6 13.4 97 407 A N > + 0 0 4 1,-0.1 4,-2.0 3,-0.1 5,-0.2 0.869 12.7 177.2 53.0 47.7 48.3 65.1 15.7 98 408 A R H > + 0 0 19 349,-0.3 4,-2.0 1,-0.2 5,-0.1 0.819 65.4 48.8 -59.7 -47.6 51.5 64.9 13.7 99 409 A T H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 113.1 46.4 -62.9 -47.9 53.8 67.4 15.4 100 410 A N H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 111.5 51.7 -65.9 -33.6 53.2 66.1 18.9 101 411 A L H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.876 110.0 50.2 -69.7 -35.9 53.7 62.5 17.9 102 412 A R H X S+ 0 0 94 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.917 111.4 47.4 -64.9 -41.9 57.0 63.5 16.2 103 413 A R H X S+ 0 0 98 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.907 111.0 52.0 -65.0 -39.9 58.1 65.2 19.4 104 414 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.931 108.5 50.7 -62.9 -43.5 57.0 62.2 21.5 105 415 A A H X S+ 0 0 44 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.873 108.8 53.3 -59.2 -37.5 59.1 59.8 19.2 106 416 A Q H X S+ 0 0 107 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.905 107.4 49.5 -66.5 -43.9 62.0 62.2 19.7 107 417 A F H X S+ 0 0 38 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.883 110.7 51.0 -60.2 -38.9 61.7 62.0 23.5 108 418 A L H <>S+ 0 0 3 -4,-2.2 5,-2.6 2,-0.2 -2,-0.2 0.913 110.9 48.3 -63.5 -42.4 61.6 58.1 23.2 109 419 A E H ><5S+ 0 0 127 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.921 110.9 50.9 -64.6 -41.6 64.7 58.2 21.0 110 420 A Q H 3<5S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.860 106.8 54.4 -64.1 -34.2 66.5 60.5 23.5 111 421 A A T 3<5S- 0 0 8 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.330 126.5 -99.5 -83.5 3.2 65.6 58.2 26.4 112 422 A G T < 5S+ 0 0 36 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.548 74.1 142.2 93.3 7.7 67.2 55.2 24.6 113 423 A F < - 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0 0 28 -4,-1.5 3,-0.0 -3,-0.5 -3,-0.0 -0.170 36.2-176.3 -58.1 137.9 53.1 79.5 56.3 231 541 A T + 0 0 138 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.305 65.3 54.4-115.6 0.5 52.0 82.4 58.5 232 542 A T S > S- 0 0 77 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.933 78.7-123.7-131.8 160.4 50.9 84.8 55.8 233 543 A E H > S+ 0 0 133 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.905 113.1 53.2 -65.9 -44.4 48.5 84.7 52.8 234 544 A D H > S+ 0 0 141 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.936 113.3 44.6 -54.3 -48.0 51.3 85.7 50.4 235 545 A E H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.899 112.5 50.1 -66.9 -43.4 53.4 82.8 51.7 236 546 A L H X S+ 0 0 60 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.945 113.8 45.3 -62.0 -48.7 50.6 80.2 51.7 237 547 A T H X S+ 0 0 19 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.928 113.5 50.7 -59.1 -45.6 49.6 81.0 48.1 238 548 A A H X S+ 0 0 11 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.932 113.2 44.5 -61.2 -48.3 53.3 81.0 47.0 239 549 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.890 114.0 49.7 -62.9 -39.7 54.0 77.6 48.6 240 550 A T H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.934 112.6 46.9 -68.0 -42.9 50.7 76.0 47.3 241 551 A R H X S+ 0 0 48 -4,-2.6 4,-2.8 2,-0.2 -183,-0.2 0.888 110.0 53.5 -64.4 -40.7 51.4 77.3 43.8 242 552 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.904 109.7 48.1 -59.5 -46.2 55.0 76.0 44.0 243 553 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.945 111.7 49.9 -55.6 -48.8 53.6 72.6 45.0 244 554 A D H X S+ 0 0 0 -4,-2.8 4,-2.5 -188,-0.3 -194,-0.3 0.933 111.3 49.9 -56.0 -43.6 51.1 72.7 42.1 245 555 A R H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.910 113.6 44.1 -63.3 -46.1 54.0 73.6 39.7 246 556 A V H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.894 113.7 49.3 -69.1 -39.3 56.3 70.8 40.9 247 557 A L H <>S+ 0 0 0 -4,-2.9 5,-0.6 -5,-0.2 4,-0.3 0.925 113.4 47.6 -65.3 -45.4 53.5 68.1 40.9 248 558 A T H ><5S+ 0 0 11 -4,-2.5 3,-1.7 -5,-0.3 -2,-0.2 0.938 111.3 49.3 -61.7 -44.3 52.4 69.2 37.4 249 559 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.695 94.3 75.5 -71.9 -13.6 56.0 69.2 36.0 250 560 A G T 3<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.681 94.6-141.9 -71.4 -15.0 56.5 65.7 37.5 251 561 A R T < 5 + 0 0 15 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.929 51.0 143.9 60.8 45.1 54.3 64.4 34.6 252 562 A Y < + 0 0 18 -5,-0.6 -242,-2.9 1,-0.2 2,-0.4 0.665 58.7 34.4 -89.9 -24.3 52.7 61.9 36.9 253 563 A V E -B 9 0A 5 -244,-0.2 -244,-0.2 -5,-0.2 -1,-0.2 -0.997 68.1-136.1-134.6 140.1 49.2 61.9 35.5 254 564 A I E -B 8 0A 0 -246,-2.5 -246,-2.0 -2,-0.4 2,-0.1 -0.857 41.4-138.9 -90.1 106.7 47.8 62.4 32.0 255 565 A P E +B 7 0A 4 0, 0.0 -248,-0.3 0, 0.0 2,-0.1 -0.345 28.9 171.6 -77.4 147.1 45.0 64.8 32.7 256 566 A I - 0 0 2 -250,-2.5 -209,-2.5 1,-0.3 -250,-0.2 -0.314 46.1 -57.0-118.2-152.8 41.5 64.7 31.3 257 567 A W 0 0 20 -211,-0.2 -1,-0.3 -2,-0.1 -211,-0.1 -0.404 360.0 360.0 -80.6 169.0 38.3 66.6 32.1 258 568 A R 0 0 99 -213,-0.5 -1,-0.1 -2,-0.1 -214,-0.0 0.891 360.0 360.0 -76.5 360.0 36.8 66.7 35.6 259 !* 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 0.0 260 312 B N 0 0 155 0, 0.0 2,-0.3 0, 0.0 186,-0.1 0.000 360.0 360.0 360.0 159.5 59.0 70.3 11.7 261 313 B A E +G 445 0C 14 184,-0.7 184,-2.5 2,-0.0 2,-0.3 -0.956 360.0 105.6-153.4 169.3 58.9 71.1 7.9 262 314 B G E -G 444 0C 8 46,-1.1 2,-0.4 -2,-0.3 182,-0.2 -0.867 56.1 -77.0 143.0-172.6 59.3 74.0 5.4 263 315 B X E +G 443 0C 4 180,-2.0 180,-3.0 -2,-0.3 2,-0.4 -0.977 32.6 177.8-128.3 131.1 61.6 75.4 2.8 264 316 B T E +G 442 0C 5 -2,-0.4 250,-2.4 178,-0.2 2,-0.3 -0.995 40.2 75.2-129.8 134.8 64.8 77.3 3.2 265 317 B G E S-GH 441 513C 2 176,-2.4 176,-2.8 -2,-0.4 2,-0.6 -0.978 86.3 -34.1 165.3-150.1 67.0 78.4 0.2 266 318 B F E -GH 440 512C 0 246,-1.7 246,-2.8 -2,-0.3 2,-0.3 -0.937 54.2-146.3-106.7 115.5 67.0 81.1 -2.5 267 319 B V E -GH 439 511C 0 172,-2.3 172,-1.4 -2,-0.6 2,-0.5 -0.593 9.4-142.5 -80.8 140.0 63.6 82.0 -3.8 268 320 B I E -G 438 0C 0 242,-2.8 2,-1.3 -2,-0.3 170,-0.2 -0.899 13.3-128.6-105.9 131.2 63.3 83.0 -7.5 269 321 B N > - 0 0 4 168,-2.9 3,-1.6 -2,-0.5 6,-0.2 -0.645 24.9-175.2 -78.8 95.7 60.9 85.8 -8.5 270 322 B T T 3 S+ 0 0 18 201,-1.9 -1,-0.2 -2,-1.3 202,-0.1 0.529 74.8 71.1 -73.5 -2.1 59.0 84.0 -11.2 271 323 B R T 3 S+ 0 0 78 200,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.659 85.9 77.9 -82.3 -14.9 57.0 87.3 -12.1 272 324 B R S X S- 0 0 63 -3,-1.6 3,-2.2 165,-0.1 4,-0.2 -0.841 93.9 -95.7-104.0 110.9 60.2 88.8 -13.5 273 325 B A T 3 S+ 0 0 74 -2,-0.7 -2,-0.1 1,-0.3 -4,-0.0 -0.338 104.6 21.4 -57.3 141.1 61.1 87.6 -17.0 274 326 B P T > S+ 0 0 25 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.947 113.4 69.2 -98.3 17.7 63.0 85.5 -17.8 275 327 B F T < S+ 0 0 2 -3,-2.2 -2,-0.2 1,-0.3 6,-0.1 0.579 85.8 76.4 -65.9 -8.3 62.7 83.8 -14.4 276 328 B D T 3 S+ 0 0 98 -4,-0.2 2,-0.7 -5,-0.1 -1,-0.3 0.650 75.3 90.3 -72.9 -15.3 59.2 82.9 -15.4 277 329 B D S X> S- 0 0 33 -3,-2.0 4,-1.9 1,-0.2 3,-1.1 -0.733 71.1-150.5 -87.1 114.7 60.6 80.2 -17.6 278 330 B W H 3> S+ 0 0 55 -2,-0.7 4,-2.7 1,-0.3 -1,-0.2 0.748 95.0 64.2 -55.0 -24.2 60.9 76.9 -15.7 279 331 B R H 3> S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.881 101.6 46.5 -69.6 -39.8 63.8 76.0 -17.9 280 332 B L H <> S+ 0 0 0 -3,-1.1 4,-2.4 -6,-0.3 -2,-0.2 0.916 113.3 50.7 -65.1 -43.0 65.9 78.9 -16.6 281 333 B R H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.925 109.1 51.2 -62.7 -40.1 64.9 77.9 -13.1 282 334 B E H X S+ 0 0 13 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.920 109.2 51.0 -60.8 -43.1 66.0 74.3 -13.8 283 335 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.918 108.9 50.5 -60.7 -42.2 69.3 75.5 -15.1 284 336 B L H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.897 112.1 47.9 -61.1 -41.5 69.8 77.6 -11.9 285 337 B L H >< S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.926 110.0 52.0 -65.6 -41.9 69.0 74.5 -9.8 286 338 B L H 3< S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.867 108.7 51.2 -63.2 -33.7 71.4 72.3 -11.8 287 339 B A H 3< S+ 0 0 0 -4,-2.0 2,-0.9 -5,-0.2 -1,-0.3 0.607 87.5 92.4 -79.9 -14.5 74.3 74.8 -11.3 288 340 B F << - 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0 0 5 -4,-1.3 -3,-0.0 -3,-0.3 3,-0.0 -0.138 34.2-178.3 -55.6 130.6 40.9 43.6 -1.5 1007 541 D T + 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.370 64.9 50.8-111.0 2.2 43.1 45.7 -3.7 1008 542 D T S > S- 0 0 68 1,-0.1 4,-2.5 -336,-0.0 5,-0.2 -0.945 81.4-120.3-132.5 158.2 45.2 47.5 -1.0 1009 543 D E H > S+ 0 0 41 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.910 114.1 54.5 -61.9 -43.4 47.1 46.3 2.0 1010 544 D D H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 111.9 43.3 -53.9 -46.0 44.9 48.4 4.3 1011 545 D E H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 113.2 51.1 -72.0 -43.5 41.8 46.8 3.0 1012 546 D L H X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.936 112.8 46.7 -58.2 -46.3 43.3 43.3 3.0 1013 547 D T H X S+ 0 0 22 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.906 112.0 49.8 -62.6 -44.8 44.3 43.7 6.6 1014 548 D A H X S+ 0 0 10 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.929 113.0 46.0 -64.0 -44.1 41.0 45.1 7.7 1015 549 D A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -12,-0.2 0.877 113.3 48.4 -64.8 -40.7 39.0 42.3 6.1 1016 550 D T H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.926 113.0 48.3 -68.3 -45.9 41.3 39.5 7.4 1017 551 D R H X S+ 0 0 42 -4,-2.5 4,-2.6 2,-0.2 -183,-0.3 0.907 110.4 52.0 -56.6 -41.9 41.1 41.0 10.9 1018 552 D A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.922 110.3 48.1 -62.4 -45.3 37.3 41.3 10.6 1019 553 D L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.950 111.7 50.4 -57.6 -48.9 37.1 37.6 9.6 1020 554 D D H X S+ 0 0 0 -4,-2.7 4,-2.4 -188,-0.3 -194,-0.3 0.917 111.1 49.6 -55.2 -42.1 39.4 36.7 12.6 1021 555 D R H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.923 112.5 44.9 -65.6 -46.5 37.1 38.7 14.9 1022 556 D V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.922 114.1 49.6 -67.6 -41.8 33.9 37.1 13.7 1023 557 D L H <>S+ 0 0 0 -4,-2.9 5,-0.6 -5,-0.2 4,-0.3 0.917 112.6 47.5 -61.0 -45.4 35.3 33.6 13.8 1024 558 D T H ><5S+ 0 0 10 -4,-2.4 3,-1.8 -5,-0.3 -2,-0.2 0.946 111.7 48.3 -63.6 -45.8 36.7 34.1 17.3 1025 559 D A H 3<5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.707 94.6 77.3 -68.8 -19.3 33.4 35.5 18.7 1026 560 D G T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.684 93.1-144.1 -59.3 -20.6 31.6 32.6 17.1 1027 561 D R T < 5 + 0 0 16 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.898 49.9 143.5 55.3 48.0 32.9 30.5 20.1 1028 562 D Y < + 0 0 16 -5,-0.6 -242,-2.9 1,-0.1 2,-0.4 0.639 58.8 36.1 -89.5 -22.9 33.4 27.5 17.8 1029 563 D V E -T 785 0G 5 -244,-0.2 -244,-0.2 -5,-0.2 -1,-0.1 -0.988 67.5-137.2-137.4 138.1 36.6 26.1 19.4 1030 564 D I E -T 784 0G 0 -246,-2.6 -246,-2.1 -2,-0.4 2,-0.1 -0.906 42.7-141.3 -90.3 106.7 37.9 25.9 22.9 1031 565 D P E +T 783 0G 5 0, 0.0 -248,-0.3 0, 0.0 2,-0.1 -0.408 28.8 170.4 -79.7 151.7 41.5 26.9 22.1 1032 566 D I - 0 0 1 -250,-2.5 -209,-2.5 1,-0.3 -250,-0.2 -0.308 48.3 -50.7-123.5-146.9 44.7 25.6 23.7 1033 567 D W 0 0 20 -211,-0.2 -1,-0.3 -2,-0.1 -211,-0.1 -0.419 360.0 360.0 -86.4 169.4 48.4 26.0 22.8 1034 568 D R 0 0 102 -213,-0.4 -1,-0.1 -2,-0.1 -251,-0.1 0.951 360.0 360.0 -66.5 360.0 49.7 25.5 19.2