==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 07-JAN-11 3Q9A . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,T.DOUKOV,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 10.5 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 . 68 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 0 1 1 1 1 0 0 2 0 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 . 9 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 . 6 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 -27.1 20.5 27.2 41.3 2 300 A F - 0 0 140 17,-0.1 2,-0.4 16,-0.0 15,-0.2 -0.937 360.0-146.5 -96.2 132.4 23.7 25.1 40.6 3 301 A L E -A 16 0A 39 13,-2.2 13,-4.3 -2,-0.5 2,-0.4 -0.831 13.6-148.1-120.5 140.6 22.7 21.6 41.6 4 302 A K E -A 15 0A 142 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.793 6.9-168.6-100.5 138.8 24.5 18.5 43.0 5 303 A V E -A 14 0A 0 9,-2.4 9,-2.6 -2,-0.4 2,-0.4 -0.996 13.7-157.4-120.1 134.1 23.7 14.8 42.3 6 304 A K E -A 13 0A 57 -2,-0.4 380,-2.2 7,-0.2 2,-0.6 -0.891 15.4-142.8-114.8 140.4 25.2 12.2 44.6 7 305 A N B > -B 385 0B 5 5,-2.5 4,-1.8 -2,-0.4 378,-0.2 -0.906 13.4-160.3 -93.9 122.9 25.9 8.6 44.0 8 306 A W T 4 S+ 0 0 85 376,-2.8 377,-0.1 -2,-0.6 -1,-0.1 0.558 88.0 49.7 -83.4 -9.0 25.2 6.9 47.3 9 307 A E T 4 S+ 0 0 40 375,-0.3 -1,-0.2 372,-0.2 376,-0.1 0.794 127.4 21.4 -92.3 -39.5 27.2 3.7 46.5 10 308 A T T 4 S- 0 0 76 2,-0.2 -2,-0.2 374,-0.1 3,-0.1 0.571 90.8-133.0-105.6 -12.1 30.4 5.5 45.3 11 309 A D < + 0 0 109 -4,-1.8 2,-0.1 1,-0.3 -3,-0.1 0.372 54.0 147.8 65.7 -2.9 30.1 9.0 46.9 12 310 A V - 0 0 68 -6,-0.1 -5,-2.5 1,-0.0 2,-0.5 -0.431 33.2-157.1 -57.3 131.0 30.9 10.7 43.6 13 311 A V E -A 6 0A 65 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.969 6.2-164.3-117.7 126.1 29.1 14.0 43.4 14 312 A L E -A 5 0A 30 -9,-2.6 -9,-2.4 -2,-0.5 2,-0.6 -0.819 14.0-134.7-109.7 150.5 28.3 15.7 40.0 15 313 A T E -A 4 0A 62 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.920 14.3-149.9-111.0 119.6 27.3 19.4 39.5 16 314 A D E +A 3 0A 0 -13,-4.3 -13,-2.2 -2,-0.6 347,-0.2 -0.776 33.5 152.2 -91.9 118.5 24.5 20.1 37.2 17 315 A T > + 0 0 59 345,-3.0 3,-0.8 -2,-0.6 4,-0.3 0.385 61.7 80.5-111.8 -3.6 24.5 23.4 35.3 18 316 A L G > S+ 0 0 7 344,-1.8 3,-1.7 1,-0.2 345,-0.1 0.800 74.7 71.8 -79.6 -29.5 22.5 22.2 32.3 19 317 A H G > S+ 0 0 19 343,-0.3 3,-1.4 1,-0.3 -1,-0.2 0.678 84.9 68.9 -58.3 -21.3 19.0 22.4 33.9 20 318 A L G < S+ 0 0 61 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.771 93.1 58.0 -72.1 -22.5 19.2 26.3 33.7 21 319 A K G < S+ 0 0 155 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.147 85.5 134.0 -81.9 15.2 19.0 25.9 29.9 22 320 A S < + 0 0 20 -3,-1.4 370,-0.2 1,-0.1 -3,-0.1 -0.502 28.2 171.5 -79.0 137.4 15.7 24.1 30.6 23 321 A T + 0 0 51 368,-1.5 369,-0.2 -2,-0.2 -1,-0.1 0.861 48.7 61.9-108.1 -66.7 12.7 25.1 28.6 24 322 A L S S- 0 0 42 367,-0.6 367,-0.4 1,-0.1 2,-0.2 -0.003 80.8-105.8 -66.8 165.3 9.6 22.9 29.1 25 323 A E - 0 0 135 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.577 18.9-147.1 -93.4 156.3 7.6 22.4 32.3 26 324 A T - 0 0 17 413,-2.5 414,-0.1 2,-0.3 3,-0.1 0.733 33.3-113.8 -97.2 -26.5 7.8 19.2 34.4 27 325 A G S S+ 0 0 31 1,-0.4 2,-0.1 412,-0.3 412,-0.1 -0.098 84.6 108.0 106.2 -32.6 4.5 18.6 36.1 28 326 A C - 0 0 3 410,-0.3 -1,-0.4 411,-0.1 -2,-0.3 -0.445 46.8-171.3 -79.7 148.9 6.1 19.1 39.5 29 327 A T - 0 0 45 3,-2.8 408,-0.4 -2,-0.1 406,-0.1 -0.720 44.2-100.4-119.2-179.5 5.6 22.2 41.8 30 328 A E S S+ 0 0 70 -2,-0.2 405,-2.0 1,-0.2 406,-0.3 0.761 127.0 46.7 -68.5 -21.8 7.3 23.2 45.0 31 329 A H S S+ 0 0 87 1,-0.2 771,-0.5 403,-0.2 2,-0.4 0.765 120.3 27.0 -87.1 -30.7 4.2 21.8 46.7 32 330 A I - 0 0 9 769,-0.1 -3,-2.8 405,-0.1 2,-0.6 -0.989 61.3-145.5-145.7 130.2 3.9 18.5 44.9 33 331 A C B -C 800 0C 9 767,-2.8 767,-1.7 -2,-0.4 3,-0.2 -0.845 12.0-179.7 -95.8 123.7 6.2 16.0 43.1 34 332 A M > + 0 0 33 -2,-0.6 3,-2.2 1,-0.2 -1,-0.1 0.044 37.7 131.3-107.1 27.7 4.6 14.3 40.0 35 333 A G T 3 S+ 0 0 21 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.624 71.4 49.3 -54.2 -19.8 7.8 12.3 39.3 36 334 A S T 3 S+ 0 0 17 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.340 80.1 109.7-110.4 8.3 5.8 9.0 39.0 37 335 A I < - 0 0 15 -3,-2.2 -3,-0.0 760,-0.1 377,-0.0 -0.708 60.2-146.8 -80.8 131.2 3.0 10.1 36.6 38 336 A M S S+ 0 0 51 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.858 93.0 25.0 -64.7 -39.4 3.4 8.5 33.2 39 337 A L 0 0 100 1,-0.1 -1,-0.3 -3,-0.0 -12,-0.0 -0.762 360.0 360.0-130.4 81.7 1.9 11.5 31.3 40 338 A P 0 0 97 0, 0.0 -13,-0.2 0, 0.0 -1,-0.1 0.969 360.0 360.0 -84.0 360.0 2.4 14.7 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,-2.1 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 159.1 2.2 31.0 15.4 43 351 A K H 3> + 0 0 76 1,-0.2 4,-1.6 2,-0.2 38,-0.1 0.822 360.0 49.7 -54.4 -39.3 4.9 33.2 13.7 44 352 A D H 34 S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.712 112.2 46.7 -75.6 -25.8 5.8 34.8 17.1 45 353 A Q H <> S+ 0 0 127 -3,-0.6 4,-1.1 2,-0.1 -2,-0.2 0.836 111.7 52.5 -80.9 -33.7 6.1 31.5 18.9 46 354 A L H X S+ 0 0 21 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.889 97.3 60.4 -75.2 -43.7 8.2 29.9 16.2 47 355 A F H X S+ 0 0 65 -4,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.868 105.0 47.9 -61.6 -40.3 11.0 32.5 15.8 48 356 A P H > S+ 0 0 75 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.946 114.0 49.5 -61.3 -42.4 12.3 32.3 19.4 49 357 A L H X S+ 0 0 53 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.934 112.9 46.0 -61.8 -46.2 12.2 28.5 19.1 50 358 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 5,-0.3 0.960 113.6 49.8 -56.0 -52.1 14.1 28.6 15.8 51 359 A K H X S+ 0 0 94 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.920 110.3 50.3 -53.9 -50.4 16.7 31.1 17.3 52 360 A E H X S+ 0 0 67 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.940 114.3 43.7 -55.2 -52.9 17.2 28.9 20.3 53 361 A F H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.933 114.6 48.1 -60.2 -46.2 17.9 25.8 18.3 54 362 A L H X S+ 0 0 1 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.849 108.6 54.9 -68.6 -35.7 20.1 27.4 15.7 55 363 A D H X S+ 0 0 31 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.930 111.8 44.4 -57.1 -48.2 22.2 29.1 18.4 56 364 A Q H X S+ 0 0 45 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.924 114.3 49.7 -67.3 -40.2 22.8 25.7 19.9 57 365 A Y H >X S+ 0 0 23 -4,-3.0 4,-1.5 2,-0.2 3,-0.5 0.976 112.8 45.5 -57.0 -56.6 23.5 24.2 16.5 58 366 A Y H 3<>S+ 0 0 28 -4,-3.1 5,-3.0 1,-0.3 6,-0.2 0.838 111.7 53.4 -60.6 -32.9 26.0 26.9 15.5 59 367 A S H ><5S+ 0 0 65 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.3 0.876 104.2 56.9 -61.8 -38.6 27.6 26.6 19.0 60 368 A S H <<5S+ 0 0 61 -4,-1.9 -2,-0.2 -3,-0.5 -1,-0.2 0.835 107.6 45.2 -66.3 -36.4 28.0 22.8 18.4 61 369 A I T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 0, 0.0 -2,-0.1 0.048 118.5-116.9 -91.9 22.9 30.0 23.3 15.2 62 370 A K T < 5S+ 0 0 193 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.810 85.9 114.4 43.5 45.1 31.9 25.9 17.1 63 371 A R > < + 0 0 151 -5,-3.0 3,-1.6 -6,-0.2 6,-0.3 -0.161 37.7 159.0-128.4 39.2 30.9 28.8 14.8 64 372 A F T 3 S+ 0 0 126 1,-0.3 3,-0.1 -5,-0.2 -9,-0.1 -0.419 71.0 7.5 -67.8 132.6 28.7 30.8 17.3 65 373 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -2,-0.2 2,-0.0 0.563 97.6 140.5 70.7 8.6 28.2 34.4 16.3 66 374 A S S <> S- 0 0 33 -3,-1.6 4,-2.6 1,-0.1 3,-0.2 -0.282 70.2-106.2 -74.8 165.7 29.9 33.8 12.9 67 375 A K H > S+ 0 0 154 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.960 123.6 54.1 -54.8 -50.9 28.6 35.4 9.7 68 376 A A H > S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.780 109.6 49.7 -52.0 -36.7 27.2 31.9 8.6 69 377 A H H > S+ 0 0 1 -6,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.962 113.4 42.8 -65.4 -58.1 25.3 31.8 11.9 70 378 A M H X S+ 0 0 86 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.936 112.6 55.4 -54.7 -49.1 23.8 35.4 11.5 71 379 A D H X S+ 0 0 78 -4,-3.7 4,-2.6 1,-0.2 -1,-0.2 0.879 108.5 47.0 -49.3 -47.5 23.1 34.7 7.9 72 380 A R H X S+ 0 0 9 -4,-1.5 4,-3.2 -5,-0.2 5,-0.3 0.930 110.1 52.1 -63.9 -46.7 21.0 31.5 8.7 73 381 A L H X S+ 0 0 21 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.943 112.7 46.3 -51.7 -53.4 19.1 33.3 11.5 74 382 A E H X S+ 0 0 104 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.922 113.1 50.0 -51.8 -51.5 18.2 36.0 9.0 75 383 A E H X S+ 0 0 90 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.917 113.9 43.6 -55.2 -51.4 17.3 33.4 6.4 76 384 A V H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.919 114.0 51.8 -63.0 -46.2 15.0 31.4 8.7 77 385 A N H X S+ 0 0 45 -4,-3.0 4,-2.2 -5,-0.3 -2,-0.2 0.883 110.3 47.7 -55.3 -45.1 13.5 34.6 10.1 78 386 A K H X S+ 0 0 134 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.885 112.5 51.2 -64.3 -38.1 12.7 35.8 6.5 79 387 A E H X S+ 0 0 53 -4,-2.1 4,-3.4 -5,-0.2 6,-0.6 0.893 110.0 47.1 -68.4 -43.7 11.2 32.4 5.7 80 388 A I H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.924 111.6 50.6 -63.3 -48.3 8.9 32.3 8.8 81 389 A E H < S+ 0 0 113 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.818 121.0 36.6 -58.2 -30.7 7.6 35.9 8.2 82 390 A S H < S+ 0 0 96 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.860 133.8 19.1 -92.7 -41.7 6.9 34.9 4.6 83 391 A T H < S- 0 0 75 -4,-3.4 -3,-0.2 2,-0.4 -2,-0.2 0.423 94.4-120.1-112.5 -3.5 5.7 31.3 4.8 84 392 A S S < S+ 0 0 71 -4,-2.4 2,-0.2 -5,-0.3 -4,-0.2 0.389 91.2 39.7 73.2 -1.6 4.7 30.9 8.5 85 393 A T S S- 0 0 28 -6,-0.6 -2,-0.4 -9,-0.0 2,-0.3 -0.853 71.9-137.9-152.2-173.1 7.2 28.1 8.8 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.976 14.3-118.9-150.2 166.7 10.8 27.1 7.8 87 395 A Q - 0 0 95 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.917 24.6-126.7-112.4 137.6 12.8 24.1 6.6 88 396 A L - 0 0 6 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.607 22.3-121.0 -77.1 134.8 15.8 22.5 8.3 89 397 A K >> - 0 0 102 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.408 33.4-107.8 -62.3 150.2 19.1 22.0 6.5 90 398 A D H 3> S+ 0 0 103 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.894 121.7 54.0 -53.0 -43.5 20.1 18.4 6.4 91 399 A T H 3> S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.881 108.8 47.6 -57.1 -42.2 22.8 19.1 8.9 92 400 A E H <> S+ 0 0 1 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.784 110.3 53.1 -71.9 -30.4 20.3 20.7 11.3 93 401 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 -3,-0.2 -2,-0.2 0.917 110.4 45.2 -70.0 -48.1 17.9 17.8 11.0 94 402 A I H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.912 116.1 47.0 -61.1 -46.0 20.5 15.1 11.8 95 403 A Y H X S+ 0 0 29 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.864 111.6 52.1 -64.8 -39.0 21.8 17.2 14.7 96 404 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.915 111.7 45.5 -63.8 -43.3 18.2 17.8 15.9 97 405 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.928 111.8 50.3 -67.4 -45.4 17.4 14.0 15.9 98 406 A K H X S+ 0 0 54 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.890 114.0 47.4 -59.3 -38.7 20.6 13.0 17.6 99 407 A H H X S+ 0 0 12 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.809 103.0 58.2 -75.8 -32.1 19.9 15.6 20.3 100 408 A A H < S+ 0 0 0 -4,-2.0 296,-0.6 2,-0.2 -1,-0.2 0.887 112.1 44.7 -60.1 -37.6 16.3 14.7 20.9 101 409 A W H >< S+ 0 0 34 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.916 110.2 55.0 -70.4 -45.3 17.7 11.2 21.7 102 410 A R H 3< S+ 0 0 35 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.838 111.5 44.4 -52.6 -37.8 20.4 12.9 23.8 103 411 A N T 3< S+ 0 0 10 -4,-2.2 2,-1.3 291,-0.3 289,-0.4 0.399 78.6 121.3 -90.2 1.2 17.7 14.7 25.8 104 412 A A X - 0 0 23 -3,-1.6 3,-2.0 1,-0.2 6,-0.1 -0.490 43.1-171.1 -74.2 94.4 15.5 11.7 26.2 105 413 A S T 3 S+ 0 0 21 -2,-1.3 262,-3.6 1,-0.3 -1,-0.2 0.660 80.4 53.6 -67.2 -14.1 15.4 11.5 30.0 106 414 A R T 3 S+ 0 0 55 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.320 88.2 95.3 -97.7 4.0 13.6 8.1 30.1 107 415 A C X - 0 0 43 -3,-2.0 3,-0.6 -6,-0.2 264,-0.1 -0.896 47.2-174.4-107.8 119.4 16.1 6.3 27.8 108 416 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.666 79.6 69.7 -80.2 -19.8 18.9 4.3 29.5 109 417 A G T > + 0 0 31 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.207 60.9 116.7 -85.9 15.7 20.6 3.6 26.1 110 418 A R G X + 0 0 0 -3,-0.6 3,-1.9 1,-0.3 -1,-0.2 0.500 49.2 84.2 -73.6 -2.0 21.7 7.2 25.5 111 419 A I G 3 S+ 0 0 42 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.794 93.7 53.2 -64.6 -22.9 25.5 6.4 25.5 112 420 A Q G X S+ 0 0 50 -3,-1.7 3,-2.4 1,-0.2 -1,-0.3 0.293 76.0 117.2 -84.0 2.0 24.8 5.5 21.9 113 421 A W T < S+ 0 0 43 -3,-1.9 -1,-0.2 1,-0.3 -11,-0.2 0.757 71.5 49.6 -55.1 -32.8 23.1 8.8 21.1 114 422 A S T 3 S+ 0 0 56 -3,-0.4 2,-1.1 1,-0.2 -1,-0.3 0.627 95.1 75.4 -84.0 -11.3 25.6 10.0 18.6 115 423 A K < + 0 0 128 -3,-2.4 2,-0.4 -17,-0.1 34,-0.3 -0.744 68.6 135.6-100.9 85.5 25.5 6.8 16.5 116 424 A L - 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0 0 38 -5,-1.4 2,-0.9 9,-0.0 -1,-0.2 -0.611 48.7 -98.2 -93.3 158.4 7.7 -24.1 43.0 309 617 A D + 0 0 55 -2,-0.2 8,-0.4 1,-0.2 3,-0.4 -0.712 42.7 171.7 -76.7 105.2 5.6 -23.6 46.1 310 618 A M + 0 0 56 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.178 55.1 97.5 -98.4 12.6 2.9 -21.2 45.0 311 619 A R S S+ 0 0 217 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.847 90.1 26.1 -66.3 -36.3 1.1 -21.7 48.3 312 620 A K > - 0 0 89 -3,-0.4 3,-1.4 1,-0.1 5,-0.4 -0.985 67.1-135.4-135.9 144.1 2.6 -18.5 49.8 313 621 A T G > S+ 0 0 56 -2,-0.3 3,-1.7 1,-0.3 5,-0.2 0.820 101.4 69.7 -61.4 -31.4 4.0 -15.2 48.4 314 622 A S G 3 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.1 428,-0.1 0.443 79.3 71.8 -75.6 -4.6 7.0 -15.5 50.8 315 623 A S G < S- 0 0 20 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.1 0.503 100.3-135.4 -79.4 -5.4 8.6 -18.5 49.0 316 624 A L <> + 0 0 0 -3,-1.7 4,-2.0 -4,-0.1 -2,-0.1 0.781 52.1 151.8 54.7 32.4 9.4 -15.8 46.4 317 625 A W H > S+ 0 0 21 -5,-0.4 4,-2.5 -8,-0.4 5,-0.2 0.860 70.1 55.2 -61.9 -35.3 8.2 -18.2 43.6 318 626 A K H > S+ 0 0 76 -5,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.955 109.8 47.0 -59.0 -46.7 7.3 -15.2 41.5 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.815 111.1 51.2 -65.9 -33.6 10.8 -13.8 41.9 320 628 A Q H X S+ 0 0 27 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.954 113.6 42.8 -70.0 -50.4 12.4 -17.2 41.0 321 629 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.841 108.8 60.6 -62.5 -36.6 10.3 -17.6 37.8 322 630 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.928 105.0 48.3 -57.0 -44.6 11.0 -13.9 36.9 323 631 A V H X S+ 0 0 4 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.940 113.1 47.3 -61.5 -46.2 14.7 -14.6 36.9 324 632 A E H X S+ 0 0 12 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.902 107.7 54.3 -62.7 -46.0 14.4 -17.7 34.7 325 633 A I H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.876 112.7 46.0 -55.5 -39.0 12.1 -16.0 32.2 326 634 A N H X S+ 0 0 1 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.758 106.8 55.5 -77.5 -27.4 14.7 -13.3 31.8 327 635 A I H X S+ 0 0 13 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.902 108.3 51.5 -67.2 -41.2 17.7 -15.7 31.5 328 636 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -89,-0.5 0.854 106.7 52.5 -63.7 -40.1 15.8 -17.3 28.6 329 637 A V H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 5,-0.2 0.976 114.4 41.3 -62.3 -53.0 15.2 -14.0 26.8 330 638 A L H X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.944 116.3 50.0 -58.4 -49.1 18.8 -13.1 26.9 331 639 A Y H X S+ 0 0 91 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.861 110.5 49.2 -60.6 -40.8 20.0 -16.6 26.1 332 640 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 -93,-0.3 -1,-0.2 0.928 113.7 45.0 -66.4 -45.0 17.6 -17.0 23.1 333 641 A F H <>S+ 0 0 0 -4,-2.1 5,-2.7 -5,-0.2 4,-0.3 0.894 114.2 49.3 -66.8 -42.5 18.7 -13.6 21.5 334 642 A Q H ><5S+ 0 0 90 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 0.921 109.4 52.2 -62.9 -39.8 22.3 -14.3 22.1 335 643 A S H 3<5S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 113.5 43.6 -70.4 -27.5 22.0 -17.7 20.5 336 644 A D T 3<5S- 0 0 64 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.332 112.9-120.3 -93.1 5.1 20.4 -16.3 17.4 337 645 A K T < 5 + 0 0 164 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.893 61.8 146.3 51.9 47.3 22.9 -13.4 17.3 338 646 A V < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.1 -192,-0.2 -0.973 57.7-105.7-109.8 122.0 20.3 -10.7 17.6 339 647 A T + 0 0 40 -194,-3.0 -59,-0.5 -2,-0.5 2,-0.3 -0.152 54.4 153.2 -50.2 131.0 21.6 -7.7 19.6 340 648 A I - 0 0 23 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.957 28.5-147.0-153.3 153.6 20.2 -7.4 23.2 341 649 A V B -o 281 0J 30 -61,-1.7 -59,-2.7 -2,-0.3 -58,-0.3 -0.993 13.6-132.0-130.4 136.7 21.6 -5.9 26.3 342 650 A D > - 0 0 11 -2,-0.4 4,-2.3 -61,-0.2 5,-0.2 -0.369 29.0-110.5 -78.5 165.1 21.1 -7.1 29.9 343 651 A H H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.790 114.5 54.2 -68.7 -24.4 20.0 -4.6 32.6 344 652 A H H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.991 112.6 40.9 -68.8 -58.3 23.4 -4.8 34.4 345 653 A S H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.871 116.6 50.0 -54.7 -45.3 25.5 -3.9 31.3 346 654 A A H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.878 112.2 46.0 -65.7 -42.7 23.0 -1.2 30.1 347 655 A T H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.891 110.6 53.1 -68.9 -38.9 22.8 0.6 33.5 348 656 A E H X S+ 0 0 137 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.920 109.9 50.2 -56.7 -45.7 26.6 0.5 33.9 349 657 A S H X S+ 0 0 46 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.888 107.5 52.6 -60.2 -42.7 26.8 2.1 30.5 350 658 A F H X S+ 0 0 0 -4,-1.9 4,-3.6 2,-0.2 -1,-0.2 0.850 105.7 54.1 -66.5 -34.2 24.4 4.8 31.4 351 659 A I H X S+ 0 0 18 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.938 110.4 46.0 -62.8 -49.0 26.4 5.7 34.5 352 660 A K H X S+ 0 0 124 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.928 113.1 51.4 -57.2 -44.2 29.5 6.1 32.3 353 661 A H H X S+ 0 0 4 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.961 106.6 53.6 -58.3 -51.0 27.3 8.1 29.9 354 662 A M H X S+ 0 0 1 -4,-3.6 4,-2.8 1,-0.2 -2,-0.2 0.913 109.2 48.5 -46.1 -51.5 26.1 10.3 32.8 355 663 A E H X S+ 0 0 74 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.890 110.8 50.7 -60.6 -40.5 29.7 11.1 33.8 356 664 A N H X S+ 0 0 40 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.942 112.8 46.2 -58.5 -49.0 30.6 12.0 30.2 357 665 A E H X>S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 6,-1.6 0.865 111.1 52.2 -68.6 -38.0 27.6 14.3 30.0 358 666 A Y H X5S+ 0 0 16 -4,-2.8 4,-0.8 4,-0.3 -1,-0.2 0.938 116.5 39.2 -60.7 -42.7 28.3 15.9 33.3 359 667 A R H <5S+ 0 0 174 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.780 127.8 31.7 -84.3 -21.2 31.9 16.7 32.3 360 668 A C H <5S+ 0 0 91 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.646 136.3 19.7-106.3 -18.4 31.3 17.7 28.7 361 669 A R H <5S- 0 0 50 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.566 98.3-113.4-124.8 -19.9 27.8 19.2 28.9 362 670 A G S <> - 0 0 8 -262,-3.6 4,-2.2 -2,-0.4 3,-1.2 -0.809 12.7-165.9 -98.1 100.9 14.1 10.1 34.9 368 676 A W H 3> S+ 0 0 18 -2,-0.9 4,-2.2 1,-0.3 -1,-0.2 0.827 84.2 63.0 -58.1 -38.9 15.0 7.7 37.7 369 677 A V H 34 S+ 0 0 21 1,-0.2 -1,-0.3 -334,-0.2 -263,-0.1 0.857 116.7 30.7 -54.1 -39.7 11.6 6.1 37.7 370 678 A W H <4 S+ 0 0 110 -3,-1.2 -2,-0.2 -265,-0.1 -1,-0.2 0.707 115.4 59.2 -87.6 -29.4 12.2 4.8 34.1 371 679 A I H < S+ 0 0 1 -4,-2.2 -2,-0.2 -266,-0.1 -3,-0.2 0.881 87.2 80.6 -74.5 -38.3 16.0 4.4 34.3 372 680 A V S < S- 0 0 14 -4,-2.2 5,-0.1 -5,-0.2 6,-0.1 -0.565 92.5-113.7 -72.7 120.7 16.0 1.9 37.1 373 681 A P - 0 0 6 0, 0.0 415,-0.2 0, 0.0 4,-0.1 -0.157 18.9-117.9 -56.9 149.9 15.2 -1.6 35.6 374 682 A P S S+ 0 0 13 0, 0.0 415,-2.5 0, 0.0 416,-0.3 0.347 98.6 50.7 -74.9 3.1 11.9 -3.3 36.7 375 683 A M S S+ 0 0 2 412,-0.2 -92,-0.1 413,-0.2 411,-0.1 -0.978 117.3 1.6-136.0 150.4 13.8 -6.1 38.2 376 684 A S S > S+ 0 0 6 -2,-0.3 3,-1.4 1,-0.1 4,-0.3 0.801 73.2 173.4 49.9 40.9 16.8 -6.2 40.7 377 685 A G G > + 0 0 4 1,-0.3 3,-1.5 407,-0.2 6,-0.6 0.862 67.5 45.5 -47.1 -53.6 16.8 -2.4 41.0 378 686 A S G 3 S+ 0 0 2 407,-2.1 -1,-0.3 1,-0.3 408,-0.1 0.518 103.8 62.7 -77.4 -7.5 19.3 -1.9 43.7 379 687 A I G < S+ 0 0 19 -3,-1.4 -1,-0.3 406,-0.4 -2,-0.2 0.362 92.6 75.9 -97.5 5.7 21.9 -4.3 42.3 380 688 A T S X S- 0 0 1 -3,-1.5 3,-1.1 -4,-0.3 4,-0.4 -0.888 90.2-126.8-106.0 146.7 22.1 -2.1 39.2 381 689 A P G > S+ 0 0 32 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.757 101.3 69.9 -73.7 -21.4 24.2 1.1 39.9 382 690 A V G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 -10,-0.1 0.761 86.5 68.5 -63.9 -27.6 21.6 3.5 38.6 383 691 A F G < S+ 0 0 34 -3,-1.1 -1,-0.3 -6,-0.6 -5,-0.1 0.858 103.8 43.9 -57.1 -36.0 19.4 2.7 41.6 384 692 A H G < S+ 0 0 16 -3,-1.1 -376,-2.8 -4,-0.4 2,-0.7 0.402 95.9 96.4 -91.2 2.2 22.0 4.5 43.8 385 693 A Q B < -B 7 0B 5 -3,-1.3 -378,-0.2 -378,-0.2 2,-0.0 -0.832 69.8-137.1-105.3 112.8 22.5 7.4 41.5 386 694 A E - 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