==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JUN-10 3NNY . 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) . 35630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 64.9 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 . 63 7.7 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 . 222 27.1 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 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 0 209 0, 0.0 2,-0.7 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -54.9 20.9 27.7 40.6 2 300 A F - 0 0 140 17,-0.1 2,-0.3 18,-0.0 15,-0.2 -0.889 360.0-166.4 -99.4 108.1 23.9 25.4 40.7 3 301 A L E -A 16 0A 41 13,-1.6 13,-3.8 -2,-0.7 2,-0.3 -0.716 8.5-143.0-104.7 145.7 22.6 22.0 41.8 4 302 A K E -A 15 0A 130 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.794 6.0-161.2-108.0 146.5 24.5 18.9 43.0 5 303 A V E -A 14 0A 0 9,-3.0 9,-3.0 -2,-0.3 2,-0.4 -0.990 11.3-158.9-122.1 138.3 23.9 15.2 42.5 6 304 A K E -A 13 0A 60 -2,-0.4 380,-2.0 7,-0.2 2,-0.6 -0.926 14.8-143.6-118.9 137.8 25.4 12.5 44.6 7 305 A N B > -B 385 0B 4 5,-2.6 4,-1.6 -2,-0.4 378,-0.2 -0.897 13.5-158.2 -93.2 125.7 26.0 8.9 44.0 8 306 A W T 4 S+ 0 0 86 376,-2.8 377,-0.1 -2,-0.6 -1,-0.1 0.579 87.4 49.9 -86.4 -9.8 25.4 7.1 47.4 9 307 A E T 4 S+ 0 0 42 375,-0.2 -1,-0.2 372,-0.2 376,-0.1 0.786 126.0 22.8 -89.6 -39.0 27.5 4.0 46.6 10 308 A T T 4 S- 0 0 77 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.556 92.9-129.9-107.3 -14.4 30.7 5.8 45.3 11 309 A D < + 0 0 110 -4,-1.6 -3,-0.1 1,-0.3 2,-0.1 0.385 53.3 152.5 71.2 -1.4 30.4 9.2 47.0 12 310 A V - 0 0 58 -6,-0.1 -5,-2.6 1,-0.0 2,-0.5 -0.377 30.1-156.9 -57.7 130.8 31.0 10.9 43.6 13 311 A V E -A 6 0A 74 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.973 8.3-169.3-116.7 127.1 29.4 14.4 43.5 14 312 A L E -A 5 0A 29 -9,-3.0 -9,-3.0 -2,-0.5 2,-0.5 -0.900 14.4-137.1-117.5 146.0 28.5 16.1 40.2 15 313 A T E -A 4 0A 61 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.889 14.0-152.0-108.0 125.5 27.4 19.7 39.6 16 314 A D E +A 3 0A 0 -13,-3.8 -13,-1.6 -2,-0.5 347,-0.2 -0.839 34.6 147.3-102.3 125.5 24.5 20.5 37.2 17 315 A T > + 0 0 46 345,-2.6 3,-1.6 -2,-0.5 4,-0.3 0.431 60.5 83.7-120.6 -14.3 24.3 23.8 35.3 18 316 A L G > S+ 0 0 5 344,-1.7 3,-1.8 1,-0.3 345,-0.1 0.792 77.7 70.6 -65.8 -26.5 22.6 22.4 32.2 19 317 A H G > S+ 0 0 20 343,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.729 83.3 70.8 -62.0 -24.7 19.2 22.7 33.9 20 318 A L G < S+ 0 0 67 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.672 94.7 54.5 -68.7 -17.7 19.4 26.5 33.7 21 319 A K G < S+ 0 0 141 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.337 85.4 126.1 -89.2 3.1 18.9 26.1 29.9 22 320 A S < + 0 0 18 -3,-2.0 370,-0.2 1,-0.1 419,-0.0 -0.305 31.1 171.7 -64.1 147.4 15.8 24.2 30.7 23 321 A T + 0 0 56 368,-1.7 -1,-0.1 417,-0.1 369,-0.1 0.738 45.1 65.5-122.0 -61.8 12.6 25.4 29.0 24 322 A L S S- 0 0 51 367,-0.7 367,-0.5 1,-0.1 2,-0.2 -0.081 82.5 -98.2 -70.1 165.6 9.5 23.3 29.3 25 323 A E - 0 0 141 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.594 19.1-149.1 -91.1 149.0 7.5 22.5 32.5 26 324 A T - 0 0 20 413,-2.7 414,-0.1 2,-0.3 413,-0.1 0.743 35.8-114.8 -87.5 -27.8 7.9 19.3 34.5 27 325 A G S S+ 0 0 30 1,-0.5 412,-0.1 412,-0.2 2,-0.1 -0.068 85.1 104.8 105.1 -30.4 4.5 18.7 36.1 28 326 A C - 0 0 4 410,-0.3 -1,-0.5 411,-0.1 -2,-0.3 -0.422 47.0-174.6 -82.2 157.6 6.0 19.2 39.6 29 327 A T - 0 0 48 3,-2.7 408,-0.4 -2,-0.1 406,-0.1 -0.759 46.5 -91.1-131.2-175.8 5.6 22.3 41.8 30 328 A E S S+ 0 0 71 -2,-0.2 405,-2.2 1,-0.2 406,-0.2 0.687 127.9 43.1 -68.7 -18.4 7.0 23.4 45.2 31 329 A H S S+ 0 0 86 1,-0.3 771,-0.4 403,-0.2 2,-0.4 0.702 120.1 30.0-100.6 -23.6 4.0 21.8 46.8 32 330 A I - 0 0 9 769,-0.1 -3,-2.7 405,-0.1 2,-0.5 -0.993 60.7-147.8-146.6 130.3 3.7 18.5 44.9 33 331 A C B -C 800 0C 10 767,-3.0 767,-1.9 -2,-0.4 3,-0.2 -0.879 10.1-177.1 -97.3 129.2 6.1 16.1 43.1 34 332 A M > + 0 0 30 -2,-0.5 3,-2.3 765,-0.2 -1,-0.1 0.051 38.5 130.3-111.8 22.6 4.7 14.3 40.0 35 333 A G T 3 S+ 0 0 22 1,-0.3 334,-0.2 765,-0.1 -1,-0.1 0.683 73.9 47.6 -45.0 -30.3 7.8 12.3 39.3 36 334 A S T 3 S+ 0 0 16 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.407 82.5 109.2-102.1 3.4 5.8 9.0 39.1 37 335 A I < - 0 0 14 -3,-2.3 -3,-0.1 1,-0.1 377,-0.0 -0.649 59.9-149.4 -76.7 129.8 3.0 10.3 36.8 38 336 A M S S+ 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.893 90.6 23.6 -68.9 -40.0 3.3 8.7 33.3 39 337 A L 0 0 92 -12,-0.0 -1,-0.3 359,-0.0 -12,-0.0 -0.805 360.0 360.0-125.0 85.7 1.8 11.7 31.5 40 338 A P 0 0 97 0, 0.0 -13,-0.2 0, 0.0 -12,-0.0 0.003 360.0 360.0 -82.5 360.0 2.1 15.0 33.5 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 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 178.0 1.8 31.0 15.4 43 351 A K H > + 0 0 78 1,-0.2 4,-1.3 2,-0.2 38,-0.1 0.876 360.0 50.3 -59.8 -42.7 4.4 33.2 13.7 44 352 A D H 4 S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.812 113.4 46.1 -64.7 -34.8 5.1 34.9 17.0 45 353 A Q H > S+ 0 0 124 1,-0.1 4,-1.0 2,-0.1 -2,-0.2 0.852 108.7 54.4 -79.8 -36.5 5.6 31.6 18.7 46 354 A L H X S+ 0 0 17 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.821 97.1 60.6 -73.9 -34.8 7.8 29.9 16.1 47 355 A F H X S+ 0 0 46 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.926 102.5 48.2 -69.0 -45.2 10.6 32.4 15.7 48 356 A P H > S+ 0 0 76 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.943 113.8 50.9 -53.6 -44.7 12.0 32.4 19.3 49 357 A L H X S+ 0 0 60 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.892 111.3 46.6 -58.2 -43.6 11.9 28.6 19.1 50 358 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.925 113.6 48.9 -64.4 -46.1 13.9 28.7 15.8 51 359 A K H X S+ 0 0 88 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.919 108.9 51.7 -59.5 -50.1 16.4 31.2 17.1 52 360 A E H X S+ 0 0 63 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.941 114.2 45.5 -51.4 -49.5 17.0 29.2 20.3 53 361 A F H X S+ 0 0 6 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.932 113.4 46.2 -62.1 -48.8 17.7 26.1 18.2 54 362 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.784 109.1 57.4 -70.6 -28.1 19.9 27.7 15.6 55 363 A D H X S+ 0 0 29 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.914 110.6 42.3 -63.9 -45.3 21.9 29.4 18.3 56 364 A Q H X S+ 0 0 51 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.920 114.4 52.5 -72.2 -37.2 22.7 26.0 19.9 57 365 A Y H X S+ 0 0 24 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.951 112.8 42.5 -57.0 -53.6 23.4 24.5 16.5 58 366 A Y H <>S+ 0 0 30 -4,-2.6 5,-3.6 1,-0.2 6,-0.4 0.824 113.2 53.7 -66.8 -30.9 25.9 27.2 15.5 59 367 A S H ><5S+ 0 0 66 -4,-1.9 3,-1.3 4,-0.2 -1,-0.2 0.899 105.8 54.3 -64.3 -41.9 27.4 27.1 18.9 60 368 A S H 3<5S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.831 110.0 44.8 -62.7 -35.1 27.9 23.3 18.5 61 369 A I T 3<5S- 0 0 69 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.282 119.8-112.7 -92.2 10.0 29.8 23.7 15.2 62 370 A K T < 5S+ 0 0 187 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.853 88.6 110.7 63.3 42.2 31.8 26.5 16.9 63 371 A R > < + 0 0 141 -5,-3.6 3,-1.8 -6,-0.1 6,-0.3 -0.053 35.2 155.0-132.0 31.7 30.4 29.3 14.7 64 372 A F T 3 S+ 0 0 133 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.426 76.5 7.0 -62.8 129.2 28.3 31.2 17.3 65 373 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.715 99.5 135.7 66.9 23.3 28.0 34.9 16.1 66 374 A S S <> S- 0 0 32 -3,-1.8 4,-2.6 1,-0.1 -1,-0.2 -0.521 70.9-104.7 -93.8 167.6 29.7 34.2 12.8 67 375 A K H > S+ 0 0 158 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.925 122.0 51.9 -61.7 -45.4 28.4 35.5 9.5 68 376 A A H > S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.868 111.0 50.8 -55.9 -39.2 27.0 32.1 8.4 69 377 A H H > S+ 0 0 2 -6,-0.3 4,-1.8 2,-0.2 3,-0.2 0.969 113.0 42.8 -59.3 -56.0 25.2 32.0 11.7 70 378 A M H X S+ 0 0 92 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.906 112.1 55.1 -61.0 -43.1 23.6 35.5 11.4 71 379 A D H X S+ 0 0 82 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.861 108.2 48.7 -56.5 -40.9 22.8 34.8 7.7 72 380 A R H X S+ 0 0 12 -4,-1.6 4,-2.3 -3,-0.2 -1,-0.2 0.846 107.9 53.5 -73.4 -33.9 20.8 31.7 8.6 73 381 A L H X S+ 0 0 24 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.929 111.5 46.3 -64.7 -44.2 18.9 33.4 11.4 74 382 A E H X S+ 0 0 113 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.921 112.2 51.4 -60.2 -44.9 17.8 36.1 8.9 75 383 A E H X S+ 0 0 93 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.889 112.5 44.7 -61.3 -44.5 16.9 33.5 6.3 76 384 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.862 113.5 51.2 -70.0 -37.8 14.7 31.5 8.7 77 385 A N H X S+ 0 0 45 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.899 110.2 48.6 -62.9 -43.3 13.1 34.7 10.0 78 386 A K H X S+ 0 0 141 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.904 111.4 50.9 -61.8 -40.6 12.3 35.8 6.4 79 387 A E H X S+ 0 0 50 -4,-1.9 4,-3.2 2,-0.2 6,-0.6 0.850 111.7 46.4 -68.3 -37.4 10.8 32.3 5.6 80 388 A I H X S+ 0 0 4 -4,-1.9 4,-3.0 3,-0.2 -2,-0.2 0.979 109.7 53.1 -67.2 -57.5 8.6 32.4 8.7 81 389 A E H < S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.775 123.0 30.8 -45.2 -33.9 7.4 35.9 8.1 82 390 A S H < S+ 0 0 96 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.881 133.5 24.6 -95.7 -48.2 6.4 34.9 4.6 83 391 A T H < S- 0 0 73 -4,-3.2 -3,-0.2 2,-0.4 -2,-0.2 0.607 92.9-125.0 -98.4 -15.4 5.4 31.2 4.7 84 392 A S S < S+ 0 0 73 -4,-3.0 2,-0.3 -5,-0.4 -4,-0.2 0.490 88.9 39.7 75.4 7.3 4.4 30.8 8.4 85 393 A T S S- 0 0 33 -6,-0.6 -2,-0.4 -5,-0.1 2,-0.3 -0.924 73.3-139.6-158.7-177.9 6.9 28.0 8.8 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.943 13.1-117.8-146.5 171.5 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 -0.910 25.0-127.0-114.7 139.7 12.5 24.1 6.5 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.652 21.5-120.6 -80.5 137.1 15.6 22.6 8.2 89 397 A K > - 0 0 102 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.391 32.8-109.2 -60.1 153.6 18.9 22.1 6.4 90 398 A D H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 121.5 54.6 -52.6 -44.6 20.0 18.4 6.4 91 399 A T H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 108.8 48.0 -58.8 -41.0 22.7 19.3 8.8 92 400 A E H > S+ 0 0 0 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.803 110.2 52.0 -69.3 -35.6 20.2 20.8 11.2 93 401 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.936 110.4 47.2 -64.2 -50.8 17.9 17.8 10.9 94 402 A I H X S+ 0 0 70 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.943 116.3 45.0 -56.6 -50.2 20.7 15.3 11.8 95 403 A Y H X S+ 0 0 29 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.908 112.8 51.0 -59.2 -46.6 21.8 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.890 111.8 45.9 -60.9 -42.9 18.2 17.9 16.0 97 405 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.874 112.3 50.6 -70.9 -38.1 17.3 14.2 15.9 98 406 A K H X S+ 0 0 53 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.895 113.1 47.1 -66.2 -39.8 20.6 13.3 17.6 99 407 A H H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.834 103.2 59.7 -73.4 -32.4 19.9 15.8 20.3 100 408 A A H < S+ 0 0 0 -4,-2.2 296,-0.5 2,-0.2 4,-0.4 0.940 111.4 43.4 -57.0 -44.7 16.3 14.8 20.9 101 409 A W H >< S+ 0 0 36 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.938 111.6 54.0 -63.3 -45.6 17.7 11.3 21.8 102 410 A R H 3< S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.871 111.6 45.6 -57.1 -37.1 20.5 13.0 23.8 103 411 A N T 3< S+ 0 0 11 -4,-2.6 2,-1.2 291,-0.2 289,-0.4 0.428 79.3 117.9 -87.0 -1.4 17.8 14.9 25.8 104 412 A A X - 0 0 25 -3,-1.5 3,-2.1 -4,-0.4 6,-0.1 -0.517 45.8-169.1 -73.7 97.5 15.5 11.9 26.4 105 413 A S T 3 S+ 0 0 20 -2,-1.2 262,-2.5 1,-0.3 -1,-0.2 0.712 80.7 55.3 -69.2 -18.5 15.6 11.7 30.2 106 414 A R T 3 S+ 0 0 86 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.412 86.1 99.9 -88.0 -1.2 13.8 8.3 30.3 107 415 A C X - 0 0 39 -3,-2.1 3,-0.7 -6,-0.2 264,-0.1 -0.820 46.4-174.5-100.6 113.2 16.4 6.6 28.0 108 416 A V T 3 S+ 0 0 27 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.628 79.9 67.9 -71.2 -16.9 19.1 4.5 29.7 109 417 A G T > + 0 0 29 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.243 59.0 115.2 -95.2 16.3 20.8 3.9 26.3 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.6 1,-0.3 4,-0.2 0.588 50.2 87.3 -70.0 -8.0 22.0 7.4 25.5 111 419 A I G 3 S+ 0 0 46 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.866 94.6 50.7 -53.2 -26.5 25.8 6.5 25.6 112 420 A Q G X S+ 0 0 50 -3,-1.7 3,-2.3 1,-0.2 -1,-0.3 0.390 76.3 116.5 -88.6 -0.1 25.0 5.7 22.0 113 421 A W T < S+ 0 0 41 -3,-2.6 -1,-0.2 1,-0.3 -11,-0.2 0.704 71.4 51.5 -51.1 -36.1 23.3 9.1 21.1 114 422 A S T 3 S+ 0 0 58 -3,-0.4 2,-1.0 -4,-0.2 -1,-0.3 0.630 95.9 71.6 -82.5 -11.9 25.8 10.3 18.5 115 423 A K < + 0 0 128 -3,-2.3 2,-0.4 -17,-0.1 34,-0.2 -0.791 67.8 134.1-101.4 85.6 25.7 7.1 16.4 116 424 A L - 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0 0 16 -7,-2.3 -6,-0.2 -8,-0.2 -5,-0.2 0.758 69.6-163.0 -71.4 -21.3 1.7 -12.1 28.6 297 605 A N < + 0 0 53 -5,-0.9 3,-0.3 -8,-0.3 -6,-0.3 0.852 26.8 156.8 51.3 54.8 1.6 -12.8 32.4 298 606 A I > + 0 0 3 -8,-2.6 4,-2.2 1,-0.2 3,-0.2 0.424 38.3 98.1 -98.2 0.2 3.6 -16.1 32.2 299 607 A L H > S+ 0 0 4 1,-0.2 4,-2.8 -9,-0.2 5,-0.3 0.928 80.7 55.8 -56.2 -52.5 4.9 -16.3 35.7 300 608 A E H > S+ 0 0 104 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.880 112.6 41.8 -45.2 -48.6 2.2 -18.7 36.9 301 609 A E H > S+ 0 0 74 -3,-0.2 4,-1.4 -4,-0.2 -1,-0.2 0.873 114.7 49.1 -71.8 -40.6 3.0 -21.2 34.1 302 610 A V H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.904 109.0 52.8 -64.9 -43.6 6.8 -21.0 34.4 303 611 A A H <>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 4,-0.2 0.862 106.5 54.9 -60.7 -36.4 6.7 -21.4 38.2 304 612 A K H ><5S+ 0 0 129 -4,-1.2 3,-0.8 -5,-0.3 -1,-0.2 0.852 107.0 48.7 -64.6 -39.5 4.6 -24.6 37.7 305 613 A K H 3<5S+ 0 0 90 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.800 109.6 52.7 -71.8 -29.3 7.2 -26.1 35.3 306 614 A M T 3<5S- 0 0 35 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.483 106.7-131.9 -80.4 -4.4 10.0 -25.3 37.8 307 615 A D T < 5 + 0 0 148 -3,-0.8 -3,-0.2 -4,-0.2 2,-0.1 0.865 46.9 163.3 46.7 46.0 7.9 -27.1 40.6 308 616 A L < - 0 0 35 -5,-1.8 2,-1.0 1,-0.1 -1,-0.1 -0.452 50.6 -96.2 -80.7 161.2 8.4 -24.2 43.0 309 617 A D + 0 0 66 1,-0.1 3,-0.4 -2,-0.1 8,-0.3 -0.740 42.6 175.3 -83.2 104.5 6.2 -23.9 46.1 310 618 A M + 0 0 50 -2,-1.0 -1,-0.1 1,-0.2 3,-0.1 0.220 53.8 99.3 -92.0 11.9 3.4 -21.4 44.9 311 619 A R S S+ 0 0 221 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.923 88.1 24.0 -63.3 -46.2 1.6 -21.8 48.2 312 620 A K > - 0 0 87 -3,-0.4 3,-1.5 1,-0.1 5,-0.4 -0.940 67.8-132.4-130.2 145.5 2.9 -18.6 49.8 313 621 A T G > S+ 0 0 51 -2,-0.3 3,-1.8 1,-0.3 5,-0.2 0.821 102.1 69.2 -62.1 -30.2 4.3 -15.3 48.5 314 622 A S G 3 S+ 0 0 13 1,-0.3 -1,-0.3 2,-0.1 427,-0.1 0.505 79.7 73.3 -74.2 -4.9 7.2 -15.6 50.9 315 623 A S G < S- 0 0 23 -3,-1.5 -1,-0.3 -6,-0.2 -2,-0.1 0.528 101.1-134.2 -76.5 -5.5 8.8 -18.5 49.1 316 624 A L <> + 0 0 1 -3,-1.8 4,-1.9 -4,-0.1 -2,-0.1 0.831 52.7 151.8 52.1 39.0 9.7 -15.9 46.5 317 625 A W H > S+ 0 0 20 -5,-0.4 4,-2.4 -8,-0.3 5,-0.3 0.897 70.2 53.1 -64.8 -40.0 8.5 -18.2 43.7 318 626 A K H > S+ 0 0 59 1,-0.2 4,-2.2 -5,-0.2 -1,-0.2 0.901 110.0 49.1 -57.9 -40.9 7.6 -15.2 41.5 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.869 110.5 49.2 -71.6 -36.6 11.1 -13.9 42.0 320 628 A Q H X S+ 0 0 28 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.960 113.9 44.9 -66.8 -52.7 12.8 -17.2 41.1 321 629 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.879 108.6 58.6 -54.3 -43.8 10.8 -17.7 37.9 322 630 A L H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.931 106.2 48.5 -55.9 -46.3 11.4 -14.0 37.0 323 631 A V H X S+ 0 0 6 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.946 112.1 47.0 -60.4 -50.4 15.2 -14.5 37.0 324 632 A E H X S+ 0 0 25 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.878 109.5 54.1 -61.0 -41.5 15.1 -17.7 34.9 325 633 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.893 111.7 46.3 -57.3 -41.8 12.8 -16.2 32.3 326 634 A N H X S+ 0 0 1 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.784 108.3 53.9 -74.6 -28.3 15.2 -13.3 32.0 327 635 A I H X S+ 0 0 12 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.870 109.7 50.9 -67.4 -37.8 18.3 -15.6 31.7 328 636 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -89,-0.5 0.888 107.0 51.6 -65.6 -45.4 16.4 -17.3 28.9 329 637 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.953 113.9 43.8 -59.5 -50.7 15.7 -14.1 27.0 330 638 A L H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.914 114.6 49.6 -60.6 -44.8 19.3 -13.0 27.1 331 639 A Y H X S+ 0 0 87 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.890 110.4 50.0 -62.2 -44.0 20.6 -16.5 26.2 332 640 A S H X S+ 0 0 0 -4,-2.7 4,-1.6 -93,-0.3 -1,-0.2 0.911 112.4 45.8 -63.5 -48.0 18.3 -16.9 23.2 333 641 A F H <>S+ 0 0 0 -4,-2.0 5,-2.7 -5,-0.2 -1,-0.2 0.891 114.5 49.3 -59.3 -44.8 19.2 -13.6 21.7 334 642 A Q H ><5S+ 0 0 76 -4,-2.2 3,-1.3 -5,-0.2 -2,-0.2 0.887 108.8 52.3 -63.8 -40.0 22.9 -14.2 22.3 335 643 A S H 3<5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 113.0 44.2 -68.3 -32.3 22.7 -17.7 20.7 336 644 A D T 3<5S- 0 0 60 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.199 113.8-118.4 -94.2 12.3 21.1 -16.3 17.5 337 645 A K T < 5 + 0 0 164 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.862 62.3 146.8 49.2 46.7 23.5 -13.3 17.4 338 646 A V < - 0 0 6 -5,-2.7 -1,-0.2 -6,-0.1 -192,-0.2 -0.956 56.8-105.1-109.3 124.8 20.9 -10.6 17.8 339 647 A T + 0 0 39 -194,-2.7 -59,-0.5 -2,-0.5 2,-0.3 -0.183 53.8 154.5 -49.0 132.6 22.1 -7.6 19.7 340 648 A I - 0 0 25 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.958 28.2-148.1-154.0 148.4 20.7 -7.4 23.2 341 649 A V B -o 281 0J 30 -61,-2.6 -59,-2.9 -2,-0.3 2,-0.2 -0.977 13.7-133.8-120.6 138.1 22.0 -5.7 26.4 342 650 A D > - 0 0 11 -2,-0.4 4,-2.6 -61,-0.2 5,-0.2 -0.507 27.8-111.9 -79.4 160.3 21.6 -6.9 30.0 343 651 A H H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.767 113.7 56.2 -67.1 -26.1 20.5 -4.4 32.7 344 652 A H H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.976 113.4 38.6 -66.5 -54.1 23.8 -4.6 34.5 345 653 A S H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.894 116.2 53.2 -65.4 -41.6 25.9 -3.6 31.5 346 654 A A H X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.937 112.8 42.2 -57.7 -50.8 23.2 -1.0 30.3 347 655 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.895 112.5 53.6 -68.6 -40.3 23.1 0.8 33.7 348 656 A E H X S+ 0 0 133 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.928 110.3 49.6 -55.8 -45.8 26.9 0.7 34.1 349 657 A S H X S+ 0 0 39 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.872 108.0 52.9 -59.1 -41.5 27.1 2.3 30.6 350 658 A F H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.848 105.1 54.0 -66.6 -33.1 24.6 5.0 31.6 351 659 A I H X S+ 0 0 19 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.916 110.3 47.0 -64.7 -44.6 26.6 5.9 34.6 352 660 A K H X S+ 0 0 127 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.908 112.2 50.9 -60.1 -44.6 29.7 6.4 32.4 353 661 A H H X S+ 0 0 4 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.955 108.2 52.3 -60.7 -48.4 27.5 8.4 30.0 354 662 A M H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.927 110.2 47.8 -50.3 -50.9 26.3 10.6 32.9 355 663 A E H X S+ 0 0 78 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.892 112.0 50.0 -61.3 -39.8 29.8 11.4 34.0 356 664 A N H X S+ 0 0 47 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.930 113.0 46.6 -60.3 -48.5 30.8 12.2 30.3 357 665 A E H X>S+ 0 0 6 -4,-3.0 4,-2.2 1,-0.2 6,-1.6 0.808 108.2 56.0 -66.1 -35.3 27.8 14.5 30.0 358 666 A Y H X5S+ 0 0 14 -4,-2.5 4,-0.9 4,-0.3 -1,-0.2 0.942 115.4 36.6 -63.2 -45.1 28.5 16.2 33.3 359 667 A R H <5S+ 0 0 183 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.1 0.904 126.4 37.6 -74.8 -37.6 32.0 17.2 32.4 360 668 A C H <5S+ 0 0 85 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.862 135.6 14.3 -82.6 -36.7 31.3 17.9 28.7 361 669 A R H <5S- 0 0 49 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.512 99.8-109.3-119.8 -13.4 27.9 19.6 28.8 362 670 A G S <> - 0 0 8 -262,-2.5 4,-2.5 -2,-0.3 3,-1.6 -0.863 11.5-165.7-108.1 98.5 14.2 10.2 35.1 368 676 A W H 3> S+ 0 0 20 -2,-0.8 4,-2.3 1,-0.3 -1,-0.2 0.815 85.4 63.3 -55.5 -36.3 15.2 7.8 37.9 369 677 A V H 34 S+ 0 0 20 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.783 115.9 30.2 -61.9 -32.4 11.7 6.1 37.9 370 678 A W H <4 S+ 0 0 117 -3,-1.6 -2,-0.2 -265,-0.1 -1,-0.2 0.720 115.6 58.8 -95.8 -31.8 12.3 5.0 34.3 371 679 A I H < S+ 0 0 1 -4,-2.5 -2,-0.2 -266,-0.1 -3,-0.2 0.912 86.9 81.4 -68.7 -43.6 16.1 4.5 34.4 372 680 A V S < S- 0 0 16 -4,-2.3 5,-0.1 -5,-0.2 6,-0.1 -0.521 92.5-114.5 -64.6 121.2 16.2 2.0 37.2 373 681 A P - 0 0 6 0, 0.0 415,-0.2 0, 0.0 4,-0.2 -0.134 19.6-114.7 -57.2 153.8 15.4 -1.5 35.7 374 682 A P S S+ 0 0 13 0, 0.0 415,-2.4 0, 0.0 416,-0.4 0.368 99.0 46.7 -77.2 3.3 12.1 -3.2 36.7 375 683 A M S S+ 0 0 3 412,-0.2 411,-0.1 413,-0.2 -92,-0.1 -0.978 117.0 5.8-136.4 153.7 14.1 -6.1 38.4 376 684 A S S > S+ 0 0 4 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 0.744 72.5 170.7 54.4 32.0 17.1 -6.1 40.7 377 685 A G G > + 0 0 7 1,-0.3 3,-1.7 407,-0.2 6,-0.6 0.839 67.5 45.7 -41.0 -56.6 17.0 -2.3 41.1 378 686 A S G 3 S+ 0 0 2 407,-2.2 -1,-0.3 1,-0.3 408,-0.1 0.559 102.8 62.7 -77.8 -9.5 19.5 -1.8 43.9 379 687 A I G < S+ 0 0 13 -3,-1.7 -1,-0.3 406,-0.4 -2,-0.2 0.372 93.6 77.5 -92.2 4.7 22.2 -4.2 42.6 380 688 A T S X S- 0 0 1 -3,-1.7 3,-0.9 -4,-0.3 4,-0.4 -0.833 89.2-124.5-104.1 151.0 22.5 -1.9 39.5 381 689 A P G > S+ 0 0 31 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.773 102.6 69.0 -71.9 -21.2 24.5 1.3 39.9 382 690 A V G > S+ 0 0 0 1,-0.2 3,-1.2 2,-0.2 -10,-0.1 0.787 87.4 67.7 -65.5 -27.4 21.7 3.7 38.7 383 691 A F G < S+ 0 0 35 -3,-0.9 -1,-0.2 -6,-0.6 -5,-0.1 0.863 104.6 43.0 -57.3 -37.8 19.6 2.9 41.9 384 692 A H G < S+ 0 0 14 -3,-0.8 -376,-2.8 -4,-0.4 2,-0.6 0.413 95.3 98.9 -91.8 -0.9 22.2 4.7 44.0 385 693 A Q B < -B 7 0B 5 -3,-1.2 -378,-0.2 -4,-0.3 2,-0.1 -0.800 68.5-138.0 -95.7 119.4 22.6 7.7 41.6 386 694 A E - 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