==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-APR-02 1GXN . COMPND 2 MOLECULE: PECTATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLVIBRIO CELLULOSA; . AUTHOR S.J.CHARNOCK,I.E.BROWN,J.P.TURKENBURG,G.W.BLACK,G.J.DAVIES . 323 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.3 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 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 33.7 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 0 0 2 0 0 1 1 0 1 1 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 5 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 1 327 A T > 0 0 157 0, 0.0 3,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 128.5 14.9 30.4 -1.9 2 328 A G T 3 - 0 0 77 1,-0.2 0, 0.0 219,-0.0 0, 0.0 -0.623 360.0 -35.2 63.5-124.5 13.4 28.2 -4.6 3 329 A R T 3 S+ 0 0 127 -2,-0.4 219,-3.0 2,-0.1 2,-0.5 0.119 116.7 104.0-111.4 18.7 12.4 25.2 -2.6 4 330 A M < - 0 0 77 -3,-1.9 2,-0.2 217,-0.2 215,-0.1 -0.888 58.7-147.9-104.7 127.7 15.4 25.2 -0.2 5 331 A L - 0 0 32 -2,-0.5 -2,-0.1 213,-0.5 315,-0.0 -0.591 31.2 -93.8 -84.7 151.7 15.1 26.5 3.4 6 332 A T - 0 0 70 -2,-0.2 -1,-0.1 1,-0.1 314,-0.1 -0.287 19.4-147.8 -57.7 147.5 17.9 28.3 5.2 7 333 A L > + 0 0 51 2,-0.1 3,-1.6 -3,-0.1 2,-0.6 0.518 67.8 111.0 -89.7 -10.1 20.2 26.1 7.3 8 334 A D T 3 S+ 0 0 114 1,-0.3 -2,-0.1 5,-0.1 0, 0.0 -0.572 93.0 7.2 -71.0 112.1 20.6 29.1 9.8 9 335 A G T 3 S+ 0 0 22 -2,-0.6 -1,-0.3 1,-0.3 307,-0.1 0.286 89.7 142.9 97.0 -5.4 18.8 28.0 12.9 10 336 A N <> - 0 0 0 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 -0.523 48.9-141.8 -69.5 120.4 18.2 24.4 11.7 11 337 A P H > S+ 0 0 20 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.840 99.2 49.3 -54.3 -37.1 18.6 22.1 14.8 12 338 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.903 112.1 47.9 -69.9 -41.1 20.2 19.3 12.8 13 339 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.884 110.4 52.6 -64.3 -39.9 22.7 21.7 11.2 14 340 A N H X S+ 0 0 90 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.898 108.6 50.4 -62.6 -41.5 23.5 23.2 14.6 15 341 A W H X S+ 0 0 48 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.939 112.6 47.2 -60.0 -46.6 24.2 19.8 16.0 16 342 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.936 112.0 47.8 -64.4 -46.4 26.6 19.0 13.1 17 343 A N H < S+ 0 0 69 -4,-2.7 4,-0.4 1,-0.2 3,-0.4 0.903 112.8 49.6 -66.1 -35.2 28.5 22.3 13.2 18 344 A N H >< S+ 0 0 96 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.882 104.8 59.3 -66.5 -37.3 28.9 21.9 17.0 19 345 A A H >< S+ 0 0 1 -4,-2.1 3,-1.6 1,-0.3 4,-0.3 0.793 88.4 73.6 -63.0 -29.0 30.1 18.3 16.5 20 346 A R T 3< S+ 0 0 47 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.812 114.7 22.6 -55.3 -32.7 33.0 19.6 14.4 21 347 A T T < S+ 0 0 98 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 -0.127 81.8 132.2-126.3 37.0 34.7 20.9 17.6 22 348 A K S < S+ 0 0 113 -3,-1.6 2,-0.3 47,-0.2 -2,-0.1 0.864 76.4 20.2 -59.7 -40.7 33.0 18.7 20.2 23 349 A W S S- 0 0 28 -4,-0.3 5,-0.0 -3,-0.1 25,-0.0 -0.792 101.8 -75.6-120.9 167.4 36.4 17.8 21.9 24 350 A S > - 0 0 63 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.358 43.2-123.0 -53.9 139.8 39.8 19.3 22.0 25 351 A A G > S+ 0 0 62 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.754 109.8 71.8 -61.3 -22.4 41.6 18.6 18.7 26 352 A S G 3 S+ 0 0 95 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.632 87.7 64.6 -67.9 -13.3 44.3 16.9 20.8 27 353 A R G <> S+ 0 0 92 -3,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.407 71.1 100.6 -85.2 -1.8 41.8 14.1 21.5 28 354 A A H <> S+ 0 0 1 -3,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.873 80.1 50.3 -56.0 -40.1 41.7 13.1 17.8 29 355 A D H > S+ 0 0 80 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.907 111.1 48.3 -66.9 -40.3 44.1 10.1 18.3 30 356 A V H > S+ 0 0 13 -4,-0.3 4,-0.6 2,-0.2 23,-0.4 0.926 112.6 49.1 -65.5 -42.0 42.0 8.8 21.2 31 357 A V H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 4,-0.4 0.959 112.1 48.4 -59.4 -50.0 38.8 9.1 19.2 32 358 A L H >< S+ 0 0 39 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.873 100.6 67.6 -55.7 -37.2 40.4 7.3 16.2 33 359 A S H 3< S+ 0 0 21 -4,-2.0 22,-2.8 1,-0.3 -1,-0.2 0.654 97.8 51.3 -64.8 -18.4 41.6 4.6 18.5 34 360 A Y T << S+ 0 0 46 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.545 78.6 118.4 -94.4 -7.7 38.1 3.3 19.2 35 361 A Q < - 0 0 20 -3,-1.6 6,-0.2 -4,-0.4 21,-0.2 -0.376 60.6-134.2 -63.7 129.4 37.0 3.0 15.6 36 362 A Q > - 0 0 8 4,-3.0 3,-1.8 19,-0.2 21,-0.2 -0.377 24.7-103.8 -75.9 165.7 36.1 -0.6 14.7 37 363 A N T 3 S+ 0 0 87 19,-2.7 20,-0.1 1,-0.3 -1,-0.1 0.785 119.7 62.5 -63.3 -27.1 37.3 -2.3 11.5 38 364 A N T 3 S- 0 0 45 20,-0.4 -1,-0.3 18,-0.2 3,-0.1 0.543 120.2-107.7 -73.5 -8.5 33.8 -1.9 9.9 39 365 A G S < S+ 0 0 0 -3,-1.8 2,-0.2 1,-0.4 -2,-0.1 0.203 85.5 106.2 101.1 -14.3 34.2 1.9 10.2 40 366 A G S S- 0 0 0 18,-0.2 -4,-3.0 71,-0.1 -1,-0.4 -0.522 71.6-112.9 -90.9 163.5 31.7 2.4 13.1 41 367 A W - 0 0 0 20,-0.5 20,-1.8 -6,-0.2 -6,-0.1 -0.702 20.6-135.1 -93.4 147.8 32.3 3.2 16.7 42 368 A P S S- 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.708 73.4 -16.5 -82.0 -21.5 31.4 0.5 19.3 43 369 A K S S- 0 0 118 18,-0.1 2,-0.3 -9,-0.1 24,-0.2 -0.957 81.8 -74.7-168.8 166.2 29.6 2.6 21.9 44 370 A N - 0 0 64 -2,-0.3 2,-0.4 22,-0.1 21,-0.1 -0.630 55.4-172.5 -75.2 131.6 29.2 6.2 23.0 45 371 A L - 0 0 33 -2,-0.3 2,-1.0 19,-0.1 3,-0.0 -0.966 32.5-130.7-133.0 147.4 32.3 7.4 24.9 46 372 A D >> - 0 0 80 -2,-0.4 3,-2.2 1,-0.1 4,-1.6 -0.801 21.9-169.6 -92.4 96.6 33.4 10.4 26.8 47 373 A Y T 34 S+ 0 0 0 -2,-1.0 -1,-0.1 1,-0.3 -17,-0.1 0.533 81.8 65.9 -72.4 -5.2 36.7 11.2 25.1 48 374 A N T 34 S+ 0 0 88 1,-0.1 -1,-0.3 -3,-0.0 -2,-0.0 0.480 115.0 27.8 -83.5 -7.7 37.6 13.7 27.9 49 375 A S T <4 S+ 0 0 96 -3,-2.2 -2,-0.2 2,-0.1 2,-0.1 0.598 100.6 89.0-125.6 -22.3 37.8 10.8 30.4 50 376 A V < - 0 0 41 -4,-1.6 3,-0.1 1,-0.1 2,-0.1 -0.471 63.5-128.9 -89.8 156.3 38.8 7.6 28.6 51 377 A G - 0 0 51 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.168 53.4 -55.1 -81.8-176.5 42.1 6.1 27.9 52 378 A N - 0 0 128 1,-0.1 -1,-0.2 -2,-0.1 -22,-0.1 -0.351 55.9-139.4 -63.2 138.2 43.3 4.9 24.5 53 379 A G - 0 0 19 -23,-0.4 -19,-0.2 -3,-0.1 3,-0.1 -0.271 4.6-137.5 -85.9-178.3 41.2 2.3 22.7 54 380 A G - 0 0 79 1,-0.5 -20,-0.2 -20,-0.1 -21,-0.1 -0.009 34.6-121.7-134.7 31.3 42.3 -0.7 20.8 55 381 A G - 0 0 32 -22,-2.8 -1,-0.5 -19,-0.1 2,-0.2 -0.388 40.6-174.4 64.8-142.4 40.1 -0.8 17.7 56 382 A G - 0 0 25 -21,-0.2 -19,-2.7 -3,-0.1 -18,-0.2 -0.708 37.0-100.7 139.7 176.3 38.1 -4.0 17.4 57 383 A N S S+ 0 0 138 -2,-0.2 2,-0.1 -21,-0.2 -1,-0.1 0.015 72.4 117.5-122.1 23.0 35.8 -6.2 15.3 58 384 A E S S- 0 0 143 1,-0.2 -20,-0.4 -18,-0.1 -18,-0.2 -0.363 74.4 -76.2 -85.8 169.3 32.4 -5.6 17.1 59 385 A S - 0 0 22 -2,-0.1 -1,-0.2 53,-0.1 2,-0.2 -0.336 44.9-127.0 -60.3 143.9 29.3 -4.0 15.6 60 386 A G E -A 111 0A 0 51,-2.7 51,-2.1 -3,-0.1 2,-0.3 -0.472 29.3-160.0 -81.3 166.8 29.3 -0.2 15.0 61 387 A T E -A 110 0A 0 -20,-1.8 -20,-0.5 49,-0.2 49,-0.2 -0.992 35.3-155.2-150.5 153.0 26.5 1.9 16.5 62 388 A I > + 0 0 5 47,-2.1 3,-1.0 -2,-0.3 2,-0.1 0.105 55.6 136.0-108.3 16.2 24.6 5.2 16.2 63 389 A D G > S- 0 0 34 46,-0.5 3,-2.3 1,-0.2 62,-0.1 -0.416 77.2 -6.2 -62.0 133.1 23.5 4.8 19.9 64 390 A N G 3 S- 0 0 86 1,-0.3 -1,-0.2 -2,-0.1 61,-0.1 0.818 134.5 -48.9 49.1 42.3 23.8 8.1 21.9 65 391 A G G <> S+ 0 0 15 -3,-1.0 4,-1.9 60,-0.4 5,-0.4 0.420 94.2 154.0 85.5 -0.6 25.6 10.0 19.2 66 392 A A T <4 + 0 0 0 -3,-2.3 2,-2.4 1,-0.2 -1,-0.2 -0.260 64.7 2.7 -65.9 152.1 28.2 7.4 18.4 67 393 A T T > S+ 0 0 0 -24,-0.2 4,-2.5 1,-0.2 5,-0.2 -0.376 124.7 64.2 70.8 -56.7 29.8 7.2 14.9 68 394 A I H > S+ 0 0 1 -2,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.883 106.9 42.0 -64.0 -37.0 28.0 10.3 13.6 69 395 A T H X S+ 0 0 12 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.954 115.0 48.7 -74.4 -50.1 29.7 12.6 16.1 70 396 A E H > S+ 0 0 3 -5,-0.4 4,-2.9 1,-0.2 5,-0.2 0.881 110.8 50.9 -55.8 -42.7 33.2 11.1 15.8 71 397 A M H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.877 111.1 46.9 -69.9 -36.4 33.2 11.2 12.0 72 398 A V H X S+ 0 0 0 -4,-1.2 4,-1.9 -5,-0.2 -2,-0.2 0.934 114.2 49.2 -66.8 -44.4 32.1 14.9 11.9 73 399 A F H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.931 112.8 45.8 -58.9 -49.1 34.8 15.7 14.5 74 400 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.835 108.1 57.1 -68.9 -30.7 37.5 13.8 12.6 75 401 A A H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.902 109.6 46.0 -62.9 -41.1 36.5 15.4 9.3 76 402 A E H X S+ 0 0 39 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.912 110.4 52.3 -67.3 -41.2 37.1 18.8 10.9 77 403 A V H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.909 111.3 47.9 -62.9 -40.3 40.4 17.7 12.4 78 404 A Y H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.929 111.6 50.2 -62.3 -45.0 41.5 16.5 8.9 79 405 A K H < S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.900 118.1 39.1 -58.0 -41.3 40.3 19.9 7.4 80 406 A S H < S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.846 131.2 22.2 -81.7 -37.0 42.2 21.9 10.0 81 407 A G H < S- 0 0 63 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.562 86.5-132.4-115.3 -16.1 45.4 19.8 10.2 82 408 A G < + 0 0 47 -4,-2.5 2,-0.8 -5,-0.3 -4,-0.1 0.457 48.1 149.4 79.1 5.5 45.9 17.7 7.0 83 409 A N >> - 0 0 74 -6,-0.3 3,-1.8 1,-0.2 4,-0.9 -0.612 36.0-154.8 -78.2 111.1 46.6 14.3 8.6 84 410 A T H 3> S+ 0 0 64 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.626 84.9 75.4 -66.6 -15.3 45.2 11.7 6.1 85 411 A K H 3> S+ 0 0 79 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.845 100.1 46.9 -61.3 -30.9 44.8 9.0 8.8 86 412 A Y H <> S+ 0 0 23 -3,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.889 108.7 53.6 -76.6 -40.9 41.7 11.0 9.9 87 413 A R H X S+ 0 0 47 -4,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.940 109.4 49.6 -53.0 -48.1 40.5 11.4 6.3 88 414 A D H X S+ 0 0 70 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.881 108.3 52.6 -62.9 -39.1 40.7 7.6 5.9 89 415 A A H X S+ 0 0 3 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.909 108.5 50.5 -62.1 -42.9 38.7 7.1 9.2 90 416 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.903 108.3 53.1 -62.3 -42.0 36.0 9.4 7.9 91 417 A R H X S+ 0 0 93 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.921 109.7 47.8 -60.2 -43.7 35.8 7.5 4.7 92 418 A K H X S+ 0 0 90 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.878 110.8 52.7 -64.3 -36.6 35.4 4.2 6.6 93 419 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.900 108.7 47.5 -66.8 -42.0 32.7 5.8 8.8 94 420 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.924 112.3 50.6 -67.2 -40.2 30.6 7.0 5.8 95 421 A N H X S+ 0 0 66 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.886 107.0 55.3 -61.7 -41.1 30.9 3.6 4.2 96 422 A F H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.945 108.1 48.3 -54.9 -50.3 29.7 2.0 7.5 97 423 A L H X S+ 0 0 2 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.925 114.7 44.2 -60.4 -45.3 26.6 4.1 7.5 98 424 A V H >< S+ 0 0 23 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.920 111.9 53.4 -66.5 -41.6 25.7 3.3 3.9 99 425 A N H 3< S+ 0 0 74 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.4 54.5 -60.2 -33.2 26.5 -0.4 4.4 100 426 A S H 3< S+ 0 0 7 -4,-2.0 -1,-0.3 -5,-0.2 2,-0.2 0.634 85.3 109.2 -73.4 -17.5 24.1 -0.5 7.4 101 427 A Q << - 0 0 22 -3,-1.3 6,-0.2 -4,-0.5 5,-0.1 -0.450 64.0-134.8 -76.2 129.3 21.2 0.9 5.4 102 428 A Y > - 0 0 45 4,-2.6 3,-2.1 -2,-0.2 -1,-0.1 -0.341 31.0-102.6 -68.1 161.6 18.3 -1.4 4.5 103 429 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.774 123.8 57.2 -54.1 -29.3 16.8 -1.4 1.0 104 430 A T T 3 S- 0 0 22 85,-0.2 -1,-0.3 2,-0.1 64,-0.1 0.511 122.4-104.8 -79.6 -9.6 13.9 0.7 2.5 105 431 A G S < S+ 0 0 0 -3,-2.1 -2,-0.1 1,-0.3 64,-0.1 0.252 72.4 144.0 99.9 -10.6 16.3 3.4 3.7 106 432 A A - 0 0 0 83,-0.4 -4,-2.6 -5,-0.1 -1,-0.3 -0.336 39.5-148.1 -63.2 140.9 16.1 2.5 7.4 107 433 A L - 0 0 1 -6,-0.2 15,-2.4 58,-0.1 21,-0.1 -0.970 14.7-140.1-109.7 123.6 19.2 2.9 9.5 108 434 A P B -B 121 0B 4 0, 0.0 11,-0.2 0, 0.0 13,-0.2 -0.362 16.2-122.6 -77.8 162.6 19.6 0.4 12.4 109 435 A Q S S+ 0 0 10 9,-1.9 -47,-2.1 11,-0.6 -46,-0.5 0.880 98.5 22.4 -68.3 -42.7 21.0 1.1 15.9 110 436 A F E S-A 61 0A 27 8,-1.2 4,-0.3 -49,-0.2 -49,-0.2 -0.977 81.4-134.4-127.9 145.5 23.8 -1.5 15.5 111 437 A Y E S+A 60 0A 73 -51,-2.1 -51,-2.7 -2,-0.3 2,-0.2 -0.983 87.7 44.8-151.7 137.6 25.4 -3.0 12.4 112 438 A P S S- 0 0 66 0, 0.0 -53,-0.1 0, 0.0 -12,-0.1 0.531 116.8 -97.4 -49.4 152.2 26.1 -5.7 11.6 113 439 A L - 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0 0 54 -2,-0.3 -3,-0.1 1,-0.1 3,-0.1 -0.727 19.7-171.3 -86.9 133.1 13.4 12.0 31.4 305 631 A W - 0 0 0 -2,-0.4 -35,-2.2 -5,-0.2 -34,-0.5 0.370 67.7 -1.3-105.8 1.4 9.7 11.6 30.7 306 632 A G E +I 269 0F 4 -37,-0.3 2,-0.3 -36,-0.2 -37,-0.2 -0.966 63.4 156.6-172.3 179.7 9.1 15.1 29.1 307 633 A G E -I 268 0F 12 -39,-2.5 -39,-2.9 -2,-0.3 3,-0.3 -0.983 56.8 -61.1 172.8-170.2 10.8 18.3 28.2 308 634 A N S >> S+ 0 0 117 -2,-0.3 3,-1.4 1,-0.2 4,-0.5 -0.065 72.0 138.6 -90.9 34.0 10.9 21.5 26.1 309 635 A Y H >> + 0 0 41 1,-0.3 4,-0.6 -41,-0.2 3,-0.5 0.815 62.1 52.7 -58.0 -43.3 11.2 19.5 22.9 310 636 A G H 3> S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 5,-0.3 0.717 88.4 80.6 -66.7 -24.5 8.8 21.5 20.7 311 637 A T H <> S+ 0 0 64 -3,-1.4 4,-2.4 1,-0.2 5,-0.3 0.907 92.1 47.1 -52.2 -50.2 10.4 24.9 21.3 312 638 A S H S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-0.7 0.909 110.0 50.7 -60.7 -40.0 9.2 26.8 11.6 318 644 A Q H ><5S+ 0 0 124 -4,-2.4 3,-0.9 3,-0.2 -1,-0.2 0.924 106.6 55.3 -63.4 -42.6 8.1 30.4 12.5 319 645 A K H 3<5S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.8 36.7 -55.2 -44.9 11.4 31.7 11.2 320 646 A V H 3<5S- 0 0 35 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.393 118.1-106.4 -93.7 1.0 10.9 30.1 7.8 321 647 A G T <<5S+ 0 0 45 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.733 75.0 133.9 82.2 28.8 7.1 30.6 7.6 322 648 A Y < 0 0 14 -5,-2.8 -4,-0.2 -6,-0.2 -5,-0.1 0.013 360.0 360.0-101.2 27.9 5.9 27.0 8.2 323 649 A L 0 0 124 -6,-0.3 -92,-0.1 -5,-0.2 -88,-0.0 -0.585 360.0 360.0-105.1 360.0 3.2 27.8 10.7