==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 26-SEP-11 3TYM . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 69 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.0 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 6 2 0 2 0 2 0 0 0 2 0 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 8 6 10 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 0 ANTIPARALLEL BRIDGES PER LADDER . 7 4 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 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 R 0 0 215 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -26.9 20.6 27.5 41.0 2 300 A F - 0 0 145 17,-0.1 2,-0.3 16,-0.0 15,-0.2 -0.966 360.0-151.3-100.8 125.5 23.7 25.2 40.5 3 301 A L E -A 16 0A 39 13,-2.1 13,-3.9 -2,-0.5 2,-0.3 -0.778 10.2-143.9-113.9 143.0 22.6 21.8 41.6 4 302 A K E -A 15 0A 142 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.779 8.8-167.8 -99.3 141.3 24.4 18.8 43.1 5 303 A V E -A 14 0A 0 9,-2.9 9,-3.2 -2,-0.3 2,-0.4 -0.999 10.6-160.8-123.3 136.6 23.7 15.1 42.4 6 304 A K E -A 13 0A 58 -2,-0.4 380,-2.0 7,-0.2 2,-0.6 -0.904 16.5-141.7-117.0 140.3 25.3 12.4 44.5 7 305 A N B > -B 385 0B 3 5,-2.4 4,-1.8 -2,-0.4 378,-0.2 -0.913 13.3-158.5 -93.3 123.6 25.8 8.7 44.0 8 306 A W T 4 S+ 0 0 85 376,-2.8 377,-0.1 -2,-0.6 -1,-0.1 0.583 88.9 51.2 -84.3 -13.0 25.1 7.0 47.3 9 307 A E T 4 S+ 0 0 39 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.845 126.5 21.0 -82.1 -43.9 27.1 3.9 46.4 10 308 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.475 92.0-129.9-109.4 -6.9 30.3 5.7 45.3 11 309 A D < + 0 0 110 -4,-1.8 2,-0.3 1,-0.2 -3,-0.1 0.503 54.4 150.8 63.3 6.8 30.0 9.1 47.0 12 310 A V - 0 0 61 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.5 -0.541 31.1-157.4 -69.6 126.7 30.8 10.8 43.7 13 311 A V E -A 6 0A 73 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.926 7.1-167.3-107.8 130.7 29.1 14.3 43.5 14 312 A L E -A 5 0A 32 -9,-3.2 -9,-2.9 -2,-0.5 2,-0.5 -0.889 14.7-135.2-116.3 149.5 28.3 15.9 40.2 15 313 A T E -A 4 0A 71 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.919 14.1-151.5-108.4 124.3 27.2 19.6 39.5 16 314 A D E +A 3 0A 0 -13,-3.9 -13,-2.1 -2,-0.5 347,-0.2 -0.848 33.4 150.6-100.7 117.9 24.4 20.3 37.1 17 315 A T > + 0 0 61 345,-2.7 3,-1.0 -2,-0.6 346,-0.2 0.436 62.2 80.3-111.6 -9.8 24.3 23.6 35.3 18 316 A L G > S+ 0 0 5 344,-1.7 3,-2.1 1,-0.2 345,-0.1 0.802 75.5 72.6 -73.8 -27.6 22.5 22.3 32.2 19 317 A H G > S+ 0 0 18 343,-0.3 3,-2.0 1,-0.3 -1,-0.2 0.699 80.2 75.3 -60.8 -20.9 19.0 22.5 33.8 20 318 A L G < S+ 0 0 66 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.603 93.2 53.0 -70.1 -10.5 19.2 26.3 33.5 21 319 A K G < S+ 0 0 135 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.201 79.5 129.1-103.3 12.0 18.5 26.0 29.8 22 320 A S < + 0 0 16 -3,-2.0 370,-0.2 1,-0.2 419,-0.0 -0.446 31.2 177.4 -69.1 141.4 15.4 23.8 30.4 23 321 A T + 0 0 58 368,-2.0 -1,-0.2 -2,-0.1 369,-0.1 0.818 50.2 63.5-111.3 -59.3 12.5 25.2 28.5 24 322 A L S S- 0 0 44 367,-0.6 367,-0.5 1,-0.1 2,-0.2 -0.062 83.9-103.3 -66.5 164.5 9.4 23.0 28.9 25 323 A E - 0 0 133 365,-0.1 415,-0.2 1,-0.1 -1,-0.1 -0.574 15.9-145.7 -95.2 156.1 7.5 22.4 32.3 26 324 A T - 0 0 15 413,-2.4 414,-0.1 2,-0.3 3,-0.1 0.688 34.8-115.3 -95.2 -22.4 7.7 19.2 34.5 27 325 A G S S+ 0 0 32 1,-0.4 2,-0.1 412,-0.2 412,-0.1 0.020 83.3 109.3 99.0 -25.6 4.3 18.8 36.0 28 326 A C - 0 0 3 410,-0.3 -1,-0.4 411,-0.1 -2,-0.3 -0.452 45.3-173.5 -81.8 155.3 5.9 19.3 39.5 29 327 A T - 0 0 42 3,-2.4 408,-0.4 -2,-0.1 406,-0.2 -0.783 45.8 -96.0-128.6-179.5 5.4 22.3 41.8 30 328 A E S S+ 0 0 72 -2,-0.2 405,-3.2 1,-0.2 406,-0.3 0.744 127.4 45.7 -66.2 -21.4 7.1 23.4 45.1 31 329 A H S S+ 0 0 82 1,-0.2 771,-0.4 403,-0.2 2,-0.3 0.694 119.5 29.1 -93.6 -23.2 4.0 21.8 46.7 32 330 A I - 0 0 8 769,-0.1 -3,-2.4 -3,-0.1 2,-0.5 -0.972 61.3-146.0-151.2 126.4 3.7 18.5 44.8 33 331 A C B -C 800 0C 9 767,-3.0 767,-2.0 -2,-0.3 3,-0.2 -0.831 11.2-178.8 -94.0 124.6 6.0 16.1 43.0 34 332 A M > + 0 0 29 -2,-0.5 3,-2.2 765,-0.2 -1,-0.1 0.040 38.8 130.4-108.3 22.8 4.6 14.4 40.0 35 333 A G T 3 S+ 0 0 19 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.687 73.0 47.2 -45.8 -29.9 7.8 12.3 39.3 36 334 A S T 3 S+ 0 0 18 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.264 81.1 113.0-106.5 11.7 5.8 9.1 39.0 37 335 A I < - 0 0 14 -3,-2.2 -3,-0.0 1,-0.1 377,-0.0 -0.735 59.2-146.6 -81.6 130.7 3.0 10.2 36.7 38 336 A M S S+ 0 0 50 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.916 92.9 18.8 -57.8 -49.0 3.2 8.5 33.2 39 337 A L 0 0 103 -12,-0.0 -1,-0.3 359,-0.0 -12,-0.0 -0.795 360.0 360.0-128.4 83.7 1.9 11.6 31.3 40 338 A P 0 0 97 0, 0.0 -13,-0.1 0, 0.0 -12,-0.0 -0.094 360.0 360.0 -80.5 360.0 2.2 14.8 33.4 41 ! 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 42 350 A T > 0 0 121 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 178.3 1.9 30.3 15.0 43 351 A K H > + 0 0 89 1,-0.2 4,-1.1 2,-0.2 38,-0.0 0.831 360.0 50.6 -47.4 -45.8 4.2 32.9 13.6 44 352 A D H 4 S+ 0 0 138 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.871 112.6 42.5 -67.8 -42.7 4.9 34.6 16.9 45 353 A Q H > S+ 0 0 109 -3,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.783 106.6 65.3 -74.3 -27.7 5.9 31.5 18.9 46 354 A L H X S+ 0 0 17 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.864 92.2 54.9 -73.2 -41.1 8.0 30.0 16.1 47 355 A F H X S+ 0 0 47 -4,-1.1 4,-3.2 2,-0.2 5,-0.2 0.915 106.1 51.7 -63.6 -42.1 10.9 32.4 15.7 48 356 A P H > S+ 0 0 77 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.952 113.7 46.3 -53.1 -46.5 11.9 32.3 19.4 49 357 A L H X S+ 0 0 49 -4,-1.3 4,-2.1 1,-0.2 219,-0.2 0.921 113.6 47.9 -63.3 -44.5 12.0 28.5 19.1 50 358 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.933 113.2 48.1 -59.5 -48.4 13.9 28.6 15.8 51 359 A K H X S+ 0 0 87 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.922 109.3 52.5 -58.9 -49.2 16.5 31.1 17.2 52 360 A E H X S+ 0 0 61 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.914 114.6 43.2 -52.4 -47.1 17.0 29.0 20.3 53 361 A F H X S+ 0 0 5 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.942 113.4 47.9 -68.5 -49.4 17.7 25.9 18.2 54 362 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.858 108.8 57.3 -63.3 -35.5 19.9 27.6 15.5 55 363 A D H X S+ 0 0 31 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.932 110.5 42.0 -57.1 -49.7 21.9 29.2 18.4 56 364 A Q H X S+ 0 0 51 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.912 113.5 54.1 -68.9 -36.4 22.7 25.8 19.9 57 365 A Y H X S+ 0 0 22 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.959 111.3 43.5 -57.9 -51.8 23.4 24.3 16.5 58 366 A Y H <>S+ 0 0 28 -4,-2.9 5,-3.2 1,-0.2 6,-0.4 0.825 112.3 53.6 -68.5 -31.1 25.9 27.0 15.5 59 367 A S H ><5S+ 0 0 67 -4,-2.0 3,-1.9 4,-0.2 -1,-0.2 0.922 104.6 56.0 -61.8 -45.6 27.5 26.8 19.0 60 368 A S H 3<5S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.841 109.4 45.4 -58.0 -35.8 27.9 23.0 18.5 61 369 A I T 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.146 117.9-112.2 -95.0 21.6 29.9 23.5 15.2 62 370 A K T < 5S+ 0 0 182 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.821 89.9 110.1 53.9 40.1 32.0 26.2 16.9 63 371 A R > < + 0 0 142 -5,-3.2 3,-1.6 -6,-0.1 6,-0.4 -0.017 36.3 152.2-131.2 29.4 30.5 29.0 14.7 64 372 A F T 3 S+ 0 0 127 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.413 74.9 6.4 -64.7 131.9 28.5 30.9 17.2 65 373 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.443 97.4 135.5 74.1 0.2 28.1 34.6 16.2 66 374 A S S <> S- 0 0 37 -3,-1.6 4,-2.6 1,-0.1 3,-0.3 -0.341 71.9-107.9 -74.6 161.2 29.8 34.1 12.8 67 375 A K H > S+ 0 0 150 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.926 122.5 56.2 -53.9 -45.7 28.3 35.6 9.6 68 376 A A H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.879 109.6 47.5 -56.1 -38.6 27.2 32.1 8.5 69 377 A H H > S+ 0 0 1 -6,-0.4 4,-2.0 -3,-0.3 -2,-0.2 0.956 115.0 44.2 -61.2 -53.0 25.3 31.8 11.9 70 378 A M H X S+ 0 0 85 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.903 110.8 55.0 -61.7 -43.3 23.7 35.3 11.5 71 379 A D H X S+ 0 0 78 -4,-3.6 4,-2.2 1,-0.2 -1,-0.2 0.846 108.3 48.3 -59.4 -38.6 22.9 34.7 7.8 72 380 A R H X S+ 0 0 11 -4,-1.4 4,-2.6 -5,-0.3 5,-0.2 0.925 109.2 52.8 -69.7 -41.4 20.9 31.5 8.6 73 381 A L H X S+ 0 0 22 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.898 112.4 45.8 -59.5 -41.4 19.0 33.3 11.4 74 382 A E H X S+ 0 0 96 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.932 111.5 51.3 -64.7 -47.5 18.0 36.0 8.9 75 383 A E H X S+ 0 0 91 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.885 112.9 45.8 -56.7 -43.3 17.1 33.5 6.2 76 384 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.894 110.9 52.5 -70.8 -42.0 14.9 31.6 8.7 77 385 A N H X S+ 0 0 57 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.935 111.1 47.9 -54.4 -48.7 13.3 34.8 10.0 78 386 A K H X S+ 0 0 137 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.921 111.7 49.8 -59.6 -44.7 12.5 35.7 6.4 79 387 A E H X S+ 0 0 50 -4,-2.3 4,-3.3 2,-0.2 6,-0.5 0.879 112.0 46.9 -65.0 -41.7 11.0 32.3 5.6 80 388 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.941 113.8 47.5 -64.7 -50.4 8.8 32.3 8.8 81 389 A E H < S+ 0 0 126 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.864 122.5 37.3 -56.6 -37.0 7.5 35.9 8.1 82 390 A S H < S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.852 133.5 19.3 -84.6 -39.8 6.9 34.9 4.5 83 391 A T H < S- 0 0 71 -4,-3.3 -3,-0.2 2,-0.4 -2,-0.2 0.511 90.8-122.9-117.3 -9.7 5.6 31.3 4.8 84 392 A S S < S+ 0 0 67 -4,-2.6 2,-0.2 -5,-0.3 -4,-0.2 0.290 91.9 38.2 78.0 -7.9 4.4 30.8 8.4 85 393 A T S S- 0 0 28 -6,-0.5 -2,-0.4 -9,-0.0 2,-0.3 -0.781 75.0-139.9-143.7-169.4 6.9 27.9 8.8 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.980 12.9-115.7-153.9 169.5 10.4 27.0 7.7 87 395 A Q - 0 0 95 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.911 24.2-131.5-113.2 133.7 12.6 24.1 6.5 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.606 21.8-120.0 -77.0 138.7 15.6 22.6 8.3 89 397 A K > - 0 0 102 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.454 32.3-108.0 -65.6 152.2 18.9 22.0 6.5 90 398 A D H > S+ 0 0 101 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.870 121.8 52.4 -51.5 -43.3 20.0 18.3 6.4 91 399 A T H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.899 110.2 47.8 -62.0 -40.5 22.7 19.1 8.9 92 400 A E H > S+ 0 0 1 -3,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.875 110.8 51.7 -67.5 -40.6 20.2 20.7 11.3 93 401 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 111.4 46.3 -60.5 -47.8 17.8 17.8 10.9 94 402 A I H X S+ 0 0 69 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 116.0 46.0 -62.6 -47.6 20.5 15.3 11.8 95 403 A Y H X S+ 0 0 32 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.901 112.1 50.8 -58.3 -48.9 21.7 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.916 112.1 47.2 -58.9 -45.5 18.1 17.9 16.0 97 405 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.929 111.2 49.5 -62.9 -45.5 17.3 14.2 15.8 98 406 A K H X S+ 0 0 52 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.886 114.1 48.2 -64.0 -32.7 20.5 13.1 17.6 99 407 A H H X S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.828 101.7 58.9 -80.5 -32.7 19.7 15.7 20.3 100 408 A A H < S+ 0 0 0 -4,-2.3 296,-0.5 2,-0.2 4,-0.5 0.932 112.9 43.7 -56.4 -42.6 16.1 14.7 20.8 101 409 A W H >< S+ 0 0 37 -4,-1.8 3,-1.4 2,-0.2 -2,-0.2 0.941 111.0 52.4 -68.0 -47.0 17.6 11.3 21.7 102 410 A R H 3< S+ 0 0 36 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.864 113.4 46.8 -53.6 -36.4 20.4 12.9 23.8 103 411 A N T 3< S+ 0 0 10 -4,-2.7 2,-1.2 291,-0.2 289,-0.4 0.473 78.0 117.4 -85.0 -6.0 17.7 14.8 25.7 104 412 A A X - 0 0 24 -3,-1.4 3,-2.0 -4,-0.5 6,-0.1 -0.479 45.1-170.7 -68.4 95.9 15.4 11.8 26.2 105 413 A S T 3 S+ 0 0 21 -2,-1.2 262,-2.8 1,-0.3 -1,-0.2 0.710 80.6 54.9 -69.0 -19.3 15.4 11.7 30.1 106 414 A R T 3 S+ 0 0 50 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.335 87.5 98.0 -90.4 3.9 13.6 8.3 30.2 107 415 A C X - 0 0 39 -3,-2.0 3,-0.7 -6,-0.2 264,-0.1 -0.868 47.2-173.8-106.6 117.4 16.1 6.5 28.0 108 416 A V T 3 S+ 0 0 25 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.639 79.9 67.6 -74.4 -18.5 18.8 4.4 29.5 109 417 A G T > + 0 0 29 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.229 60.3 116.8 -88.8 14.8 20.5 3.8 26.2 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.2 1,-0.3 -1,-0.2 0.563 49.4 85.5 -72.7 -2.9 21.7 7.3 25.5 111 419 A I G 3 S+ 0 0 50 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.798 93.6 53.9 -60.5 -20.9 25.5 6.5 25.6 112 420 A Q G X S+ 0 0 50 -3,-1.8 3,-2.6 1,-0.2 -1,-0.3 0.444 74.9 114.6 -88.5 -1.7 24.7 5.6 21.9 113 421 A W T < S+ 0 0 40 -3,-2.2 -1,-0.2 1,-0.3 -11,-0.2 0.711 71.5 52.2 -50.9 -35.4 23.1 9.0 21.1 114 422 A S T 3 S+ 0 0 59 -3,-0.4 2,-1.0 -4,-0.2 -1,-0.3 0.627 97.2 70.3 -81.5 -10.9 25.7 10.2 18.5 115 423 A K < + 0 0 117 -3,-2.6 2,-0.4 -17,-0.1 34,-0.3 -0.783 68.0 133.2-106.0 84.6 25.5 7.0 16.5 116 424 A L - 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0 0 7 -262,-2.8 4,-2.6 -2,-0.3 3,-1.2 -0.859 13.0-165.0-103.0 103.1 14.1 10.2 35.0 368 676 A W H 3> S+ 0 0 17 -2,-0.8 4,-2.1 1,-0.3 -1,-0.2 0.870 85.7 62.0 -61.4 -39.6 15.0 7.8 37.8 369 677 A V H 34 S+ 0 0 22 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.834 116.2 31.6 -54.3 -34.8 11.6 6.1 37.8 370 678 A W H <4 S+ 0 0 107 -3,-1.2 -2,-0.2 -265,-0.1 -1,-0.2 0.769 114.8 57.9 -92.6 -34.1 12.2 5.0 34.2 371 679 A I H < S+ 0 0 1 -4,-2.6 -2,-0.2 -266,-0.1 -3,-0.2 0.832 87.5 82.4 -70.7 -36.1 15.9 4.6 34.2 372 680 A V S < S- 0 0 15 -4,-2.1 5,-0.1 -5,-0.2 6,-0.1 -0.625 92.0-113.3 -72.4 122.5 16.0 2.0 37.0 373 681 A P - 0 0 6 0, 0.0 415,-0.2 0, 0.0 4,-0.2 -0.147 19.5-116.9 -58.1 149.6 15.2 -1.5 35.5 374 682 A P S S+ 0 0 14 0, 0.0 415,-2.4 0, 0.0 416,-0.4 0.290 98.3 47.3 -75.4 3.6 11.9 -3.2 36.6 375 683 A M S S+ 0 0 2 412,-0.2 -92,-0.1 413,-0.2 411,-0.1 -0.972 117.8 5.0-138.1 151.8 13.8 -6.0 38.2 376 684 A S S > S+ 0 0 4 -2,-0.3 3,-1.3 1,-0.1 4,-0.4 0.769 73.1 170.7 52.1 34.8 16.8 -6.1 40.6 377 685 A G G > + 0 0 5 1,-0.2 3,-1.7 407,-0.2 6,-0.5 0.863 66.1 47.4 -41.7 -57.6 16.8 -2.3 40.9 378 686 A S G 3 S+ 0 0 1 407,-2.0 -1,-0.2 1,-0.3 408,-0.1 0.566 102.2 61.6 -76.7 -9.2 19.3 -1.8 43.8 379 687 A I G < S+ 0 0 15 -3,-1.3 -1,-0.3 406,-0.4 -2,-0.2 0.457 92.2 80.6 -90.8 1.8 22.0 -4.1 42.4 380 688 A T S X S- 0 0 0 -3,-1.7 3,-1.3 -4,-0.4 4,-0.4 -0.840 88.7-125.5 -99.9 144.1 22.3 -1.8 39.3 381 689 A P G > S+ 0 0 31 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.780 103.5 68.4 -66.7 -23.9 24.4 1.3 39.8 382 690 A V G > S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 -10,-0.1 0.745 86.8 68.4 -66.1 -28.0 21.6 3.6 38.6 383 691 A F G < S+ 0 0 32 -3,-1.3 -1,-0.3 -6,-0.5 -5,-0.1 0.870 103.7 43.3 -54.1 -39.3 19.5 2.9 41.7 384 692 A H G < S+ 0 0 14 -3,-1.0 -376,-2.8 -4,-0.4 2,-0.7 0.410 95.7 100.0 -92.0 3.1 22.0 4.7 43.9 385 693 A Q B < -B 7 0B 4 -3,-1.1 -378,-0.2 -378,-0.2 2,-0.1 -0.809 67.2-140.6 -99.3 113.6 22.4 7.6 41.4 386 694 A E - 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