==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 22-MAR-13 4JSF . 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) . 34965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.0 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 . 66 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 27.3 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 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 . 0 2 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 . 8 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 0 207 0, 0.0 2,-0.4 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 -25.7 20.1 27.3 41.2 2 300 A F - 0 0 133 17,-0.1 2,-0.3 16,-0.0 15,-0.2 -0.992 360.0-149.8-106.7 126.1 23.3 25.3 40.5 3 301 A L E -A 16 0A 35 13,-1.8 13,-4.1 -2,-0.4 2,-0.4 -0.763 14.0-147.7-116.9 143.1 22.5 21.7 41.6 4 302 A K E -A 15 0A 139 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.841 8.2-166.4-104.0 137.6 24.4 18.8 43.1 5 303 A V E -A 14 0A 0 9,-2.7 9,-2.8 -2,-0.4 2,-0.4 -0.985 10.7-158.2-117.8 139.0 23.6 15.1 42.5 6 304 A K E -A 13 0A 53 -2,-0.4 380,-2.3 7,-0.2 2,-0.6 -0.895 15.5-141.5-116.5 143.4 25.2 12.4 44.6 7 305 A N B > -B 385 0B 3 5,-2.6 4,-1.9 -2,-0.4 378,-0.2 -0.933 13.5-158.7 -96.7 122.5 25.8 8.7 44.1 8 306 A W T 4 S+ 0 0 81 376,-2.8 377,-0.1 -2,-0.6 -1,-0.1 0.541 88.3 50.2 -83.5 -9.0 25.1 7.0 47.4 9 307 A E T 4 S+ 0 0 42 375,-0.2 -1,-0.2 372,-0.2 376,-0.1 0.850 126.2 21.6 -89.0 -44.1 27.1 3.9 46.6 10 308 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.540 92.3-130.3-104.4 -12.8 30.3 5.6 45.4 11 309 A D < + 0 0 105 -4,-1.9 2,-0.2 1,-0.3 -3,-0.1 0.394 54.1 150.7 68.3 -0.6 30.0 9.1 47.1 12 310 A V - 0 0 64 -6,-0.1 -5,-2.6 -5,-0.1 2,-0.5 -0.443 30.0-160.4 -59.2 126.5 30.8 10.8 43.7 13 311 A V E -A 6 0A 71 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.969 6.6-169.2-114.3 124.2 29.0 14.2 43.6 14 312 A L E -A 5 0A 33 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.5 -0.847 15.9-133.1-112.1 151.3 28.4 16.0 40.3 15 313 A T E -A 4 0A 67 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.909 14.3-149.2-106.9 126.8 27.2 19.6 39.6 16 314 A D E +A 3 0A 0 -13,-4.1 -13,-1.8 -2,-0.5 347,-0.2 -0.841 33.5 151.8 -97.8 123.5 24.5 20.2 37.2 17 315 A T > + 0 0 56 345,-3.0 3,-1.1 -2,-0.6 346,-0.2 0.404 62.9 79.2-115.4 -9.3 24.5 23.5 35.3 18 316 A L G > S+ 0 0 9 344,-1.9 3,-2.3 1,-0.3 345,-0.2 0.802 75.5 74.3 -73.3 -27.5 22.6 22.3 32.2 19 317 A H G > S+ 0 0 20 343,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.667 80.5 72.9 -60.2 -17.4 19.2 22.5 33.9 20 318 A L G < S+ 0 0 62 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.628 93.4 55.1 -72.6 -12.3 19.4 26.3 33.5 21 319 A K G < S+ 0 0 150 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.229 82.3 127.1-100.1 10.6 18.8 25.8 29.8 22 320 A S < + 0 0 21 -3,-1.5 370,-0.2 1,-0.1 419,-0.0 -0.387 30.8 173.9 -75.0 149.6 15.6 23.8 30.5 23 321 A T + 0 0 48 368,-2.7 369,-0.1 -2,-0.1 -1,-0.1 0.770 45.9 60.6-125.1 -63.4 12.5 25.0 28.7 24 322 A L S S- 0 0 46 367,-0.5 367,-0.4 1,-0.1 2,-0.2 0.007 85.0 -94.8 -67.3 175.6 9.3 23.0 29.0 25 323 A E - 0 0 140 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.629 18.4-148.1 -96.1 155.5 7.4 22.3 32.3 26 324 A T - 0 0 15 413,-2.5 414,-0.1 2,-0.3 413,-0.1 0.722 36.3-116.3 -91.9 -24.9 7.8 19.2 34.5 27 325 A G S S+ 0 0 28 1,-0.4 412,-0.1 412,-0.3 2,-0.1 -0.025 82.0 110.9 99.9 -27.1 4.4 18.8 36.1 28 326 A C - 0 0 3 410,-0.4 -1,-0.4 411,-0.1 -2,-0.3 -0.429 44.0-174.7 -81.2 154.8 6.0 19.4 39.6 29 327 A T - 0 0 45 3,-2.3 408,-0.4 -2,-0.1 406,-0.1 -0.798 45.7 -97.6-128.0 178.5 5.5 22.3 41.9 30 328 A E S S+ 0 0 62 -2,-0.3 405,-2.6 1,-0.2 406,-0.3 0.675 125.9 45.5 -69.8 -17.3 7.2 23.2 45.2 31 329 A H S S+ 0 0 81 1,-0.2 771,-0.5 403,-0.2 2,-0.4 0.742 120.0 29.8 -94.0 -27.5 4.0 21.8 46.9 32 330 A I - 0 0 3 769,-0.1 -3,-2.3 399,-0.1 2,-0.5 -0.980 62.6-147.5-145.0 127.1 3.6 18.5 44.9 33 331 A C B -C 800 0C 9 767,-3.3 767,-2.0 -2,-0.4 3,-0.2 -0.809 11.2-179.1 -94.7 130.9 5.9 16.1 43.1 34 332 A M > + 0 0 28 -2,-0.5 3,-2.1 765,-0.2 -1,-0.1 -0.040 38.2 130.2-115.6 28.8 4.6 14.4 40.0 35 333 A G T 3 S+ 0 0 18 1,-0.3 334,-0.2 765,-0.1 -1,-0.1 0.699 74.9 47.1 -54.7 -27.1 7.7 12.3 39.3 36 334 A S T 3 S+ 0 0 17 762,-0.4 2,-0.5 -3,-0.2 -1,-0.3 0.335 81.4 109.8-103.3 6.7 5.7 9.1 39.0 37 335 A I < - 0 0 13 -3,-2.1 -3,-0.1 1,-0.1 377,-0.0 -0.737 59.6-149.9 -79.5 123.6 2.9 10.4 36.7 38 336 A M S S+ 0 0 67 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.875 93.0 24.2 -60.3 -40.1 3.3 8.8 33.3 39 337 A L 0 0 89 -3,-0.1 -1,-0.3 -12,-0.0 -12,-0.0 -0.778 360.0 360.0-126.4 84.5 1.7 11.8 31.5 40 338 A P 0 0 94 0, 0.0 -13,-0.2 0, 0.0 -5,-0.0 0.160 360.0 360.0 -84.4 360.0 2.1 15.0 33.7 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 0 115 0, 0.0 4,-2.2 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 166.8 2.2 31.3 14.8 43 351 A K H 3> + 0 0 74 1,-0.2 4,-1.5 2,-0.2 38,-0.1 0.747 360.0 62.4 -42.0 -34.9 5.1 33.4 13.5 44 352 A D H 34 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.958 110.5 32.3 -60.3 -59.9 5.3 34.9 17.0 45 353 A Q H <> S+ 0 0 110 -3,-0.5 4,-1.2 1,-0.2 -2,-0.2 0.790 113.9 64.2 -71.4 -28.0 6.2 31.7 18.9 46 354 A L H X S+ 0 0 22 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.906 92.2 55.5 -71.9 -43.9 8.2 30.1 16.1 47 355 A F H X S+ 0 0 46 -4,-1.5 4,-3.1 1,-0.2 5,-0.2 0.924 106.9 49.1 -60.6 -45.8 11.1 32.5 15.6 48 356 A P H > S+ 0 0 75 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.925 112.3 50.5 -57.0 -42.5 12.4 32.4 19.2 49 357 A L H X S+ 0 0 55 -4,-1.2 4,-2.0 2,-0.2 219,-0.2 0.926 112.4 46.8 -58.4 -44.4 12.2 28.6 19.1 50 358 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.936 113.7 48.0 -61.1 -48.8 14.2 28.6 15.8 51 359 A K H X S+ 0 0 88 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.922 108.8 52.2 -58.5 -50.8 16.8 31.0 17.2 52 360 A E H X S+ 0 0 65 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.929 114.7 44.5 -54.1 -46.0 17.3 29.1 20.4 53 361 A F H X S+ 0 0 4 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.947 113.8 46.8 -62.4 -49.3 17.9 25.9 18.3 54 362 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.832 109.1 56.2 -69.7 -31.6 20.2 27.5 15.6 55 363 A D H X S+ 0 0 28 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.919 110.3 44.1 -59.6 -47.5 22.3 29.2 18.4 56 364 A Q H X S+ 0 0 48 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.931 114.2 51.7 -67.9 -39.2 22.9 25.8 20.0 57 365 A Y H X S+ 0 0 20 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.953 112.4 43.2 -57.3 -53.7 23.6 24.3 16.6 58 366 A Y H <>S+ 0 0 27 -4,-3.2 5,-3.3 1,-0.2 6,-0.3 0.822 112.3 54.7 -67.0 -32.4 26.2 27.0 15.6 59 367 A S H ><5S+ 0 0 64 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.928 104.2 55.0 -58.2 -47.6 27.7 26.8 19.0 60 368 A S H 3<5S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.827 110.8 43.5 -59.9 -35.4 28.1 23.0 18.6 61 369 A I T 3<5S- 0 0 72 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.130 118.1-114.9 -95.3 19.0 30.1 23.4 15.3 62 370 A K T < 5S+ 0 0 180 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.816 86.5 113.2 52.2 45.0 32.1 26.2 17.0 63 371 A R > < + 0 0 138 -5,-3.3 3,-1.6 -6,-0.1 6,-0.4 -0.103 37.0 155.1-129.3 30.1 30.8 29.0 14.6 64 372 A F T 3 S+ 0 0 124 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.405 72.9 6.6 -64.9 132.5 28.8 30.9 17.2 65 373 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -2,-0.1 -10,-0.0 0.433 98.5 139.4 75.2 -1.4 28.3 34.6 16.3 66 374 A S S <> S- 0 0 34 -3,-1.6 4,-2.8 1,-0.1 5,-0.2 -0.235 70.2-107.6 -70.6 162.0 29.9 34.0 12.8 67 375 A K H > S+ 0 0 152 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.942 123.4 53.5 -52.5 -48.5 28.7 35.5 9.6 68 376 A A H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 109.8 49.0 -57.7 -39.5 27.4 32.1 8.6 69 377 A H H > S+ 0 0 1 -6,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.964 114.2 44.1 -58.1 -54.6 25.5 31.9 11.9 70 378 A M H X S+ 0 0 88 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.881 112.3 54.1 -62.2 -39.7 24.0 35.5 11.5 71 379 A D H X S+ 0 0 80 -4,-3.3 4,-2.4 -5,-0.2 -1,-0.2 0.885 109.8 45.9 -58.9 -44.9 23.1 34.7 7.8 72 380 A R H X S+ 0 0 9 -4,-1.9 4,-3.1 -5,-0.2 5,-0.2 0.905 111.3 52.3 -67.8 -39.8 21.2 31.6 8.6 73 381 A L H X S+ 0 0 19 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.936 113.7 43.4 -61.8 -46.8 19.3 33.3 11.5 74 382 A E H X S+ 0 0 105 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.910 113.3 52.9 -63.6 -41.2 18.3 36.1 9.1 75 383 A E H X S+ 0 0 93 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.919 111.8 44.8 -59.8 -47.1 17.5 33.5 6.4 76 384 A V H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.894 111.1 54.2 -66.0 -42.9 15.2 31.6 8.8 77 385 A N H X S+ 0 0 53 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.884 110.2 45.9 -55.5 -44.2 13.6 34.8 10.0 78 386 A K H X S+ 0 0 137 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.858 111.7 53.1 -69.7 -34.0 12.7 35.9 6.5 79 387 A E H X S+ 0 0 51 -4,-1.8 4,-3.0 -5,-0.2 6,-0.6 0.903 110.6 45.5 -70.2 -41.0 11.4 32.4 5.7 80 388 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 4,-0.2 -2,-0.2 0.933 112.9 49.9 -65.5 -48.9 9.0 32.3 8.7 81 389 A E H < S+ 0 0 119 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.863 121.8 34.5 -58.0 -36.5 7.7 35.9 8.1 82 390 A S H < S+ 0 0 101 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.831 134.7 22.4 -89.7 -37.2 7.0 35.1 4.4 83 391 A T H < S- 0 0 68 -4,-3.0 -3,-0.2 2,-0.4 -2,-0.2 0.413 94.3-124.7-112.1 -4.3 6.0 31.4 4.6 84 392 A S S < S+ 0 0 72 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.2 0.454 89.5 41.0 67.0 2.8 4.8 31.1 8.3 85 393 A T S S- 0 0 31 -6,-0.6 -2,-0.4 -9,-0.0 2,-0.3 -0.881 72.8-138.6-152.7-174.0 7.3 28.2 8.7 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.969 13.1-120.6-149.0 169.1 10.9 27.2 7.7 87 395 A Q - 0 0 93 -2,-0.3 2,-0.2 182,-0.0 -8,-0.1 -0.936 24.4-127.9-115.5 135.4 12.9 24.2 6.5 88 396 A L - 0 0 7 -2,-0.4 2,-0.2 1,-0.1 179,-0.0 -0.560 23.0-119.0 -72.7 139.5 15.9 22.6 8.3 89 397 A K >> - 0 0 96 -2,-0.2 4,-2.6 1,-0.1 3,-0.8 -0.494 33.4-107.8 -64.1 150.9 19.1 22.0 6.5 90 398 A D H 3> S+ 0 0 100 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.873 122.0 51.9 -49.2 -45.5 20.1 18.4 6.4 91 399 A T H 3> S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.841 110.1 48.0 -63.2 -36.9 22.9 19.0 8.9 92 400 A E H <> S+ 0 0 1 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.873 110.8 52.0 -70.4 -41.6 20.4 20.8 11.3 93 401 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.922 111.8 45.6 -58.4 -47.8 18.0 17.9 11.0 94 402 A I H X S+ 0 0 68 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.939 113.7 48.8 -64.2 -49.0 20.6 15.3 11.8 95 403 A Y H X S+ 0 0 32 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.899 113.0 49.0 -53.7 -44.6 21.9 17.4 14.8 96 404 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.877 109.7 48.8 -68.4 -42.1 18.4 17.8 16.1 97 405 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.924 112.5 49.1 -64.5 -44.1 17.3 14.2 15.9 98 406 A K H X S+ 0 0 53 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.900 113.0 48.0 -61.0 -40.2 20.5 13.1 17.7 99 407 A H H X S+ 0 0 11 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.836 103.0 60.0 -73.7 -30.2 19.9 15.7 20.4 100 408 A A H < S+ 0 0 0 -4,-2.2 296,-0.5 2,-0.2 4,-0.4 0.939 110.7 43.2 -60.2 -40.4 16.3 14.8 20.8 101 409 A W H >< S+ 0 0 35 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.957 111.6 53.9 -67.7 -47.7 17.7 11.3 21.8 102 410 A R H 3< S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.835 111.6 46.4 -51.1 -37.8 20.4 12.9 23.9 103 411 A N T 3< S+ 0 0 9 -4,-2.5 2,-1.2 291,-0.2 289,-0.4 0.448 78.0 117.4 -86.4 -3.5 17.7 14.8 25.8 104 412 A A X - 0 0 26 -3,-1.8 3,-2.0 -4,-0.4 6,-0.1 -0.502 46.9-168.6 -73.8 96.2 15.4 11.9 26.3 105 413 A S T 3 S+ 0 0 21 -2,-1.2 262,-3.0 1,-0.3 -1,-0.2 0.660 80.8 55.1 -68.1 -15.6 15.4 11.8 30.1 106 414 A R T 3 S+ 0 0 84 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.397 85.6 100.4 -92.6 0.7 13.7 8.4 30.3 107 415 A C X - 0 0 39 -3,-2.0 3,-0.7 -6,-0.2 264,-0.1 -0.821 45.5-174.5-100.3 116.9 16.2 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 0.614 81.0 66.4 -72.2 -17.1 18.9 4.4 29.7 109 417 A G T > + 0 0 28 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.169 60.7 116.3 -97.3 20.5 20.6 3.7 26.3 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.5 1,-0.3 4,-0.2 0.568 49.4 87.1 -73.3 -7.2 21.8 7.3 25.5 111 419 A I G 3 S+ 0 0 46 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.851 93.4 52.6 -55.4 -24.4 25.5 6.4 25.6 112 420 A Q G X S+ 0 0 51 -3,-1.5 3,-2.9 1,-0.2 -1,-0.3 0.435 74.7 114.8 -87.7 -1.0 24.8 5.6 21.9 113 421 A W T < S+ 0 0 39 -3,-2.5 -1,-0.2 1,-0.3 -11,-0.2 0.708 73.1 51.9 -53.6 -31.7 23.1 9.0 21.1 114 422 A S T 3 S+ 0 0 56 -3,-0.4 2,-1.0 -4,-0.2 -1,-0.3 0.636 97.5 71.3 -82.4 -9.8 25.7 10.2 18.6 115 423 A K < + 0 0 120 -3,-2.9 2,-0.4 -17,-0.1 34,-0.3 -0.757 67.7 129.3-105.9 82.8 25.5 6.9 16.6 116 424 A L - 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