==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-SEP-09 3JX3 . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.L.DELKER,H LI,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35097.0 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 . 17 2.1 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 . 67 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.1 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 . 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 4 2 0 2 0 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 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 0 214 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 -48.8 20.8 27.7 40.4 2 300 A F - 0 0 141 17,-0.1 2,-0.4 16,-0.0 15,-0.2 -0.883 360.0-162.6 -92.8 130.6 23.8 25.3 40.5 3 301 A L E -A 16 0A 42 13,-1.9 13,-4.6 -2,-0.4 2,-0.4 -0.937 8.8-148.0-125.4 141.3 22.6 21.8 41.5 4 302 A K E -A 15 0A 125 -2,-0.4 2,-0.4 11,-0.3 11,-0.2 -0.836 4.2-162.9-107.1 142.1 24.4 18.8 42.9 5 303 A V E -A 14 0A 0 9,-2.8 9,-2.9 -2,-0.4 2,-0.4 -0.988 12.1-155.3-119.4 137.1 23.7 15.1 42.4 6 304 A K E -A 13 0A 59 -2,-0.4 380,-2.1 7,-0.2 2,-0.6 -0.881 12.9-145.0-112.4 138.2 25.2 12.5 44.6 7 305 A N B > -B 385 0B 5 5,-2.8 4,-1.8 -2,-0.4 378,-0.2 -0.929 13.7-159.8 -96.2 123.1 25.9 8.8 44.0 8 306 A W T 4 S+ 0 0 91 376,-2.8 377,-0.1 -2,-0.6 -1,-0.1 0.468 87.0 51.0 -87.6 -4.9 25.3 7.1 47.4 9 307 A E T 4 S+ 0 0 45 375,-0.2 -1,-0.2 372,-0.1 376,-0.1 0.772 126.7 22.0 -95.2 -36.6 27.3 4.0 46.6 10 308 A T T 4 S- 0 0 74 2,-0.2 -2,-0.2 374,-0.1 3,-0.1 0.528 92.3-131.2-109.4 -11.9 30.4 5.8 45.4 11 309 A D < + 0 0 108 -4,-1.8 -3,-0.1 1,-0.3 2,-0.1 0.357 54.1 150.7 68.2 -4.2 30.1 9.2 47.1 12 310 A V - 0 0 67 -6,-0.1 -5,-2.8 -5,-0.1 2,-0.4 -0.381 30.8-157.9 -60.9 132.9 30.8 10.9 43.7 13 311 A V E -A 6 0A 72 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.969 6.4-166.0-119.6 124.5 29.1 14.3 43.5 14 312 A L E -A 5 0A 32 -9,-2.9 -9,-2.8 -2,-0.4 2,-0.5 -0.854 14.3-135.9-113.5 149.4 28.3 16.1 40.2 15 313 A T E -A 4 0A 57 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.3 -0.907 15.3-151.4-107.4 123.1 27.3 19.7 39.5 16 314 A D E +A 3 0A 0 -13,-4.6 -13,-1.9 -2,-0.5 347,-0.2 -0.836 33.0 151.8 -99.6 119.5 24.4 20.3 37.1 17 315 A T > + 0 0 51 345,-3.0 3,-1.5 -2,-0.6 4,-0.3 0.543 61.6 80.3-110.3 -17.0 24.4 23.5 35.2 18 316 A L G > S+ 0 0 4 344,-1.7 3,-2.0 1,-0.3 345,-0.2 0.808 76.3 73.3 -65.9 -29.7 22.5 22.3 32.1 19 317 A H G > S+ 0 0 22 343,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.750 83.3 68.8 -57.9 -26.5 19.1 22.5 33.8 20 318 A L G < S+ 0 0 70 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.788 93.9 57.1 -63.8 -25.7 19.3 26.4 33.6 21 319 A K G < S+ 0 0 150 -3,-2.0 -1,-0.3 -4,-0.3 2,-0.2 0.146 85.5 127.1 -84.7 17.9 18.9 25.9 29.8 22 320 A S < + 0 0 18 -3,-1.7 370,-0.2 1,-0.1 419,-0.0 -0.519 30.6 170.3 -81.3 147.5 15.6 24.0 30.6 23 321 A T + 0 0 53 368,-2.0 -1,-0.1 -2,-0.2 369,-0.1 0.766 44.9 63.5-123.1 -69.4 12.5 25.1 28.8 24 322 A L S S- 0 0 45 367,-0.4 367,-0.4 1,-0.1 2,-0.3 0.066 83.9 -97.4 -58.1 169.9 9.3 23.0 29.0 25 323 A E - 0 0 127 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.722 17.7-149.3-100.3 145.9 7.4 22.4 32.4 26 324 A T - 0 0 15 413,-3.2 414,-0.1 -2,-0.3 413,-0.1 0.702 35.4-119.2 -84.7 -21.2 7.8 19.2 34.5 27 325 A G S S+ 0 0 29 1,-0.4 2,-0.2 412,-0.3 412,-0.1 0.249 80.3 112.7 87.7 -10.9 4.4 18.9 36.1 28 326 A C - 0 0 3 410,-0.4 -1,-0.4 411,-0.1 2,-0.2 -0.613 45.2-171.7 -87.5 154.3 6.0 19.3 39.6 29 327 A T - 0 0 47 3,-2.5 408,-0.3 -2,-0.2 406,-0.1 -0.742 43.9 -96.8-123.3-176.8 5.5 22.3 41.8 30 328 A E S S+ 0 0 73 -2,-0.2 405,-2.8 1,-0.2 406,-0.2 0.708 126.8 46.1 -69.6 -20.7 7.1 23.3 45.1 31 329 A H S S+ 0 0 79 1,-0.2 771,-0.4 403,-0.2 2,-0.3 0.656 119.8 28.1 -93.8 -19.6 4.0 21.7 46.8 32 330 A I - 0 0 8 769,-0.1 -3,-2.5 -3,-0.1 2,-0.5 -0.957 60.1-144.6-155.5 128.6 3.8 18.5 44.9 33 331 A C B +C 800 0C 11 767,-3.0 767,-2.0 -2,-0.3 3,-0.2 -0.817 12.3 178.8 -95.9 125.8 6.0 16.0 43.1 34 332 A M > + 0 0 28 -2,-0.5 3,-2.6 765,-0.2 -1,-0.1 0.097 39.0 129.8-108.5 18.9 4.5 14.3 40.0 35 333 A G T 3 S+ 0 0 19 1,-0.3 334,-0.2 765,-0.1 -1,-0.1 0.652 74.1 46.0 -44.5 -27.2 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 0.412 83.2 109.0-103.8 0.7 5.8 9.0 39.0 37 335 A I < - 0 0 12 -3,-2.6 -3,-0.1 1,-0.1 377,-0.0 -0.642 61.7-147.2 -77.8 130.0 3.0 10.2 36.8 38 336 A V S S+ 0 0 36 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.907 92.2 22.7 -65.9 -41.0 3.3 8.7 33.3 39 337 A L 0 0 83 -3,-0.0 -1,-0.3 -12,-0.0 -12,-0.0 -0.878 360.0 360.0-125.8 91.9 1.7 11.8 31.6 40 338 A P 0 0 99 0, 0.0 -13,-0.2 0, 0.0 -12,-0.1 -0.190 360.0 360.0 -94.0 360.0 2.0 15.0 33.8 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 0 114 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 178.5 1.9 30.8 15.5 43 351 A K H > + 0 0 78 1,-0.2 4,-1.3 2,-0.2 38,-0.1 0.763 360.0 49.7 -59.9 -33.4 4.5 33.1 13.7 44 352 A D H 4 S+ 0 0 134 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.704 114.3 45.1 -79.6 -26.4 5.2 34.8 17.1 45 353 A Q H > S+ 0 0 123 -3,-0.3 4,-1.0 2,-0.1 -2,-0.2 0.826 110.2 55.1 -83.5 -35.9 5.7 31.4 18.8 46 354 A L H X S+ 0 0 17 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.904 97.5 58.1 -72.3 -43.2 7.8 29.9 16.1 47 355 A F H X S+ 0 0 46 -4,-1.3 4,-2.8 1,-0.2 5,-0.2 0.885 104.6 48.4 -63.9 -39.5 10.7 32.4 15.7 48 356 A P H > S+ 0 0 76 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.915 113.8 49.9 -63.1 -35.6 12.0 32.3 19.3 49 357 A L H X S+ 0 0 57 -4,-1.0 4,-2.3 2,-0.2 219,-0.2 0.934 112.0 47.1 -63.0 -46.2 11.9 28.5 19.1 50 358 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.921 113.9 47.9 -58.3 -52.1 13.8 28.6 15.8 51 359 A K H X S+ 0 0 91 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.903 109.9 51.8 -55.5 -49.7 16.4 31.1 17.1 52 360 A E H X S+ 0 0 69 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.937 114.7 43.9 -53.3 -47.2 16.9 29.1 20.3 53 361 A F H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.943 114.2 46.9 -65.9 -47.0 17.5 26.0 18.2 54 362 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.838 108.7 57.7 -68.3 -31.3 19.8 27.6 15.6 55 363 A D H X S+ 0 0 30 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.936 109.0 43.7 -63.0 -45.9 21.8 29.2 18.3 56 364 A Q H X S+ 0 0 54 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.892 113.0 53.5 -69.8 -33.6 22.6 25.9 19.9 57 365 A Y H X S+ 0 0 22 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.956 111.4 43.2 -61.2 -52.7 23.4 24.4 16.5 58 366 A Y H <>S+ 0 0 26 -4,-2.8 5,-3.5 1,-0.2 6,-0.5 0.831 113.1 53.8 -64.4 -31.5 25.9 27.1 15.5 59 367 A S H ><5S+ 0 0 65 -4,-2.0 3,-1.5 -5,-0.3 -1,-0.2 0.918 106.3 52.1 -65.6 -44.2 27.4 26.9 19.0 60 368 A S H 3<5S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.801 110.1 47.6 -62.7 -32.7 27.8 23.2 18.6 61 369 A I T 3<5S- 0 0 68 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.203 117.6-116.1 -92.5 18.3 29.7 23.6 15.3 62 370 A K T < 5S+ 0 0 194 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.796 89.2 110.1 52.1 37.8 31.8 26.3 17.0 63 371 A R > < + 0 0 144 -5,-3.5 3,-1.8 -6,-0.2 6,-0.4 -0.047 38.0 154.2-127.9 28.3 30.4 29.0 14.6 64 372 A F T 3 S+ 0 0 126 -6,-0.5 3,-0.1 1,-0.3 -9,-0.1 -0.367 74.1 5.8 -58.9 130.4 28.3 30.9 17.1 65 373 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.642 99.3 136.4 68.5 15.1 27.8 34.6 16.1 66 374 A S S <> S- 0 0 35 -3,-1.8 4,-2.6 1,-0.1 -1,-0.2 -0.319 72.9-100.6 -85.0 174.7 29.6 34.0 12.7 67 375 A K H > S+ 0 0 153 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.889 125.2 50.7 -72.9 -31.5 28.4 35.3 9.5 68 376 A A H > S+ 0 0 49 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.838 110.8 51.4 -61.8 -40.0 26.8 31.9 8.5 69 377 A H H > S+ 0 0 2 -6,-0.4 4,-2.3 2,-0.2 3,-0.5 0.999 114.9 41.0 -55.6 -66.8 25.1 31.9 11.9 70 378 A M H X S+ 0 0 91 -4,-2.6 4,-2.0 1,-0.3 -2,-0.2 0.824 114.3 52.8 -51.3 -45.7 23.6 35.4 11.5 71 379 A D H X S+ 0 0 82 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.3 0.885 109.8 48.8 -58.0 -41.8 22.8 34.8 7.8 72 380 A R H X S+ 0 0 7 -4,-1.8 4,-2.2 -3,-0.5 5,-0.2 0.889 107.6 53.2 -69.8 -40.4 20.8 31.6 8.7 73 381 A L H X S+ 0 0 18 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.919 111.6 48.3 -57.4 -45.5 18.8 33.3 11.5 74 382 A E H X S+ 0 0 102 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.875 110.6 49.1 -59.2 -47.9 17.8 36.0 8.9 75 383 A E H X S+ 0 0 90 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.865 111.9 48.6 -57.2 -46.5 16.8 33.5 6.2 76 384 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.863 111.1 50.2 -68.0 -40.3 14.7 31.4 8.6 77 385 A N H X S+ 0 0 52 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.873 109.8 51.2 -67.2 -38.5 13.0 34.6 9.9 78 386 A K H X S+ 0 0 134 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.910 111.7 47.6 -59.7 -42.2 12.2 35.6 6.3 79 387 A E H X>S+ 0 0 50 -4,-1.9 4,-3.1 2,-0.2 5,-0.7 0.896 111.9 48.9 -71.6 -40.1 10.7 32.2 5.6 80 388 A I H X5S+ 0 0 4 -4,-2.6 4,-2.2 3,-0.2 -2,-0.2 0.955 109.5 54.1 -61.5 -46.9 8.6 32.2 8.8 81 389 A E H <5S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.884 123.2 24.1 -54.9 -46.2 7.3 35.7 8.0 82 390 A S H <5S+ 0 0 99 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.805 135.2 31.5 -94.0 -31.6 6.1 34.9 4.5 83 391 A T H <5S- 0 0 68 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.2 0.707 92.9-131.1-101.2 -24.2 5.4 31.1 4.7 84 392 A S S <> - 0 0 97 -2,-0.3 4,-2.1 1,-0.1 3,-0.7 -0.519 31.4-110.0 -69.1 151.0 18.8 22.0 6.5 90 398 A D H 3> S+ 0 0 96 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.868 121.2 54.6 -50.9 -44.6 19.9 18.4 6.4 91 399 A T H 3> S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.889 110.3 46.6 -59.1 -37.4 22.6 19.2 8.8 92 400 A E H <> S+ 0 0 1 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.790 109.7 52.6 -75.6 -34.0 20.1 20.7 11.3 93 401 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.921 111.0 47.0 -64.9 -47.2 17.7 17.8 11.0 94 402 A I H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 115.7 45.4 -63.5 -45.9 20.4 15.3 11.8 95 403 A Y H X S+ 0 0 32 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.940 112.5 51.8 -59.4 -50.4 21.6 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.923 111.6 46.3 -52.6 -48.6 18.0 17.9 15.9 97 405 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.917 112.7 48.6 -61.8 -47.0 17.2 14.2 15.9 98 406 A K H X S+ 0 0 52 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.899 113.5 47.9 -64.2 -40.6 20.4 13.2 17.7 99 407 A H H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.833 103.8 59.0 -70.0 -29.3 19.8 15.8 20.3 100 408 A A H < S+ 0 0 0 -4,-2.1 296,-0.5 -5,-0.2 4,-0.4 0.907 111.9 42.7 -64.3 -37.5 16.2 14.8 20.8 101 409 A W H >< S+ 0 0 37 -4,-1.8 3,-1.5 2,-0.2 -2,-0.2 0.945 111.3 54.7 -69.2 -47.9 17.6 11.3 21.8 102 410 A R H 3< S+ 0 0 34 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.846 112.2 44.8 -52.4 -36.0 20.4 12.9 23.8 103 411 A N T 3< S+ 0 0 8 -4,-2.3 2,-1.2 291,-0.2 289,-0.4 0.461 77.6 118.5 -89.7 -4.8 17.7 14.8 25.8 104 412 A A X - 0 0 26 -3,-1.5 3,-2.0 -4,-0.4 6,-0.1 -0.473 46.4-168.2 -67.8 97.3 15.3 11.8 26.3 105 413 A S T 3 S+ 0 0 20 -2,-1.2 262,-2.4 1,-0.3 -1,-0.2 0.750 81.5 54.4 -68.3 -19.8 15.4 11.8 30.1 106 414 A R T 3 S+ 0 0 83 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.454 86.2 100.1 -86.4 -3.7 13.7 8.3 30.3 107 415 A C X - 0 0 38 -3,-2.0 3,-0.7 -6,-0.2 264,-0.1 -0.783 46.5-174.4 -99.3 118.3 16.2 6.6 28.0 108 416 A V T 3 S+ 0 0 25 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.595 79.8 66.3 -77.2 -12.6 18.9 4.5 29.6 109 417 A G T > + 0 0 25 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.219 59.9 116.5-101.6 17.9 20.6 3.8 26.2 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.3 1,-0.3 4,-0.3 0.518 48.4 89.2 -71.5 -3.5 21.8 7.3 25.4 111 419 A I G 3 S+ 0 0 42 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.828 94.2 49.9 -58.0 -21.4 25.5 6.5 25.5 112 420 A Q G X S+ 0 0 53 -3,-1.5 3,-2.9 1,-0.2 4,-0.3 0.355 76.3 115.7 -90.7 -2.4 24.8 5.8 21.8 113 421 A W G X S+ 0 0 40 -3,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.791 73.0 51.0 -53.6 -38.5 23.0 9.0 21.1 114 422 A S G 3 S+ 0 0 53 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.639 97.1 68.7 -75.6 -10.5 25.5 10.4 18.6 115 423 A K G < + 0 0 134 -3,-2.9 -1,-0.2 -17,-0.1 -2,-0.2 0.544 69.8 135.1 -88.2 3.9 25.6 7.2 16.4 116 424 A L < - 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0 0 31 -5,-1.9 2,-1.0 1,-0.1 -1,-0.2 -0.396 49.8 -95.6 -78.4 162.1 8.0 -24.0 42.9 309 617 A D + 0 0 60 1,-0.2 3,-0.4 6,-0.1 8,-0.3 -0.711 43.9 173.3 -83.1 105.2 5.9 -23.5 46.1 310 618 A M + 0 0 51 -2,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.118 55.6 94.8 -96.9 17.9 3.2 -21.1 45.0 311 619 A R S S+ 0 0 217 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.878 89.6 29.9 -74.0 -36.6 1.4 -21.5 48.3 312 620 A K > - 0 0 95 -3,-0.4 3,-1.7 1,-0.1 5,-0.4 -0.979 67.6-138.7-131.8 135.5 3.0 -18.4 49.9 313 621 A T G > S+ 0 0 49 -2,-0.4 3,-2.0 1,-0.3 4,-0.2 0.856 100.5 71.1 -57.6 -30.0 4.3 -15.2 48.4 314 622 A S G 3 S+ 0 0 14 1,-0.3 -1,-0.3 2,-0.1 428,-0.1 0.521 77.6 73.8 -73.9 -4.9 7.2 -15.4 50.8 315 623 A S G < S- 0 0 23 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.1 0.549 100.6-134.0 -71.5 -9.3 8.8 -18.4 48.9 316 624 A L <> + 0 0 0 -3,-2.0 4,-2.3 -4,-0.2 5,-0.1 0.825 54.1 150.4 53.3 35.7 9.7 -15.7 46.4 317 625 A W H > S+ 0 0 15 -5,-0.4 4,-2.8 -8,-0.3 5,-0.3 0.930 70.0 52.9 -62.5 -44.0 8.4 -18.0 43.6 318 626 A K H > S+ 0 0 67 1,-0.2 4,-2.3 -5,-0.2 -1,-0.2 0.905 111.4 47.8 -53.7 -41.5 7.4 -15.0 41.4 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.886 111.5 48.3 -72.4 -38.3 11.0 -13.7 41.9 320 628 A Q H X S+ 0 0 27 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.959 114.7 45.0 -64.9 -51.8 12.7 -17.0 41.0 321 629 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.878 108.9 58.6 -57.2 -41.7 10.6 -17.5 37.9 322 630 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.941 106.3 47.3 -56.0 -49.0 11.2 -13.9 37.0 323 631 A V H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.941 112.0 49.8 -56.7 -48.2 14.9 -14.3 36.9 324 632 A E H X S+ 0 0 18 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.911 107.9 53.3 -61.7 -45.2 14.7 -17.5 34.9 325 633 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.907 112.7 45.8 -52.2 -46.3 12.4 -15.9 32.3 326 634 A N H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.842 107.8 55.2 -71.7 -30.4 14.9 -13.1 31.9 327 635 A I H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.909 108.8 50.3 -61.0 -41.3 17.8 -15.5 31.7 328 636 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -89,-0.4 0.871 107.6 52.1 -68.7 -38.9 16.0 -17.2 28.8 329 637 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.957 113.2 43.8 -59.0 -51.1 15.4 -14.0 26.9 330 638 A L H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.936 115.2 49.6 -64.2 -43.9 19.0 -13.0 27.0 331 639 A Y H X S+ 0 0 86 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.883 110.9 48.5 -59.2 -47.2 20.2 -16.5 26.1 332 640 A S H X S+ 0 0 0 -4,-2.7 4,-1.5 -93,-0.4 -1,-0.2 0.909 113.3 46.6 -63.0 -49.4 17.8 -16.8 23.1 333 641 A F H <>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.2 -2,-0.2 0.917 115.0 47.1 -58.0 -47.6 18.8 -13.4 21.7 334 642 A Q H ><5S+ 0 0 79 -4,-2.5 3,-2.0 -5,-0.3 -2,-0.2 0.931 109.5 52.5 -61.6 -43.5 22.5 -14.1 22.2 335 643 A S H 3<5S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.810 113.0 45.4 -64.3 -30.2 22.4 -17.7 20.7 336 644 A D T 3<5S- 0 0 61 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.254 114.3-118.2 -94.4 8.2 20.7 -16.2 17.6 337 645 A K T < 5 + 0 0 162 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.897 63.0 146.5 50.5 48.4 23.2 -13.3 17.3 338 646 A V < - 0 0 5 -5,-2.6 -1,-0.2 -6,-0.1 -192,-0.2 -0.962 56.6-108.1-112.6 125.8 20.6 -10.6 17.8 339 647 A T + 0 0 41 -194,-2.8 -59,-0.5 -2,-0.5 2,-0.3 -0.270 53.3 152.8 -54.2 130.5 21.8 -7.6 19.6 340 648 A I - 0 0 21 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.966 29.1-147.1-149.5 154.3 20.4 -7.4 23.2 341 649 A V B -o 281 0J 29 -61,-2.2 -59,-3.0 -2,-0.3 -58,-0.3 -0.989 13.4-132.3-125.7 138.2 21.7 -5.7 26.3 342 650 A D > - 0 0 12 -2,-0.4 4,-2.6 -61,-0.2 5,-0.2 -0.484 27.8-112.1 -78.4 161.9 21.2 -6.9 29.9 343 651 A H H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.775 114.8 54.6 -70.7 -22.9 20.2 -4.4 32.6 344 652 A H H > S+ 0 0 14 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.974 113.1 41.0 -69.1 -51.2 23.5 -4.6 34.4 345 653 A S H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.920 116.3 49.2 -65.7 -44.7 25.5 -3.8 31.3 346 654 A A H X S+ 0 0 6 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.874 112.9 46.5 -61.4 -43.6 23.0 -1.0 30.1 347 655 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.856 111.6 51.6 -71.8 -37.3 22.8 0.8 33.5 348 656 A E H X S+ 0 0 129 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.902 110.1 49.1 -60.3 -43.3 26.6 0.7 33.9 349 657 A S H X S+ 0 0 32 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.900 108.8 54.8 -66.3 -34.7 27.0 2.2 30.5 350 658 A F H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 -1,-0.2 0.884 103.9 52.3 -66.6 -37.1 24.5 4.8 31.4 351 659 A I H X S+ 0 0 19 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.931 110.8 49.3 -62.4 -45.1 26.5 5.9 34.5 352 660 A K H X S+ 0 0 129 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.915 112.3 48.4 -54.9 -46.5 29.5 6.3 32.3 353 661 A H H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.942 109.0 52.3 -62.2 -48.2 27.4 8.3 29.9 354 662 A M H X S+ 0 0 1 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.948 110.2 48.7 -51.0 -53.2 26.0 10.5 32.7 355 663 A E H X S+ 0 0 78 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.850 111.6 49.9 -56.2 -37.0 29.6 11.3 33.9 356 664 A N H X S+ 0 0 45 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.940 112.9 46.4 -65.4 -47.6 30.6 12.1 30.3 357 665 A E H X>S+ 0 0 7 -4,-2.9 4,-2.3 2,-0.2 6,-1.6 0.820 110.4 53.7 -63.5 -38.4 27.6 14.5 29.9 358 666 A Y H X5S+ 0 0 13 -4,-2.9 4,-1.1 4,-0.3 -1,-0.2 0.951 117.3 35.1 -62.2 -50.0 28.3 16.1 33.3 359 667 A R H <5S+ 0 0 183 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.931 128.2 37.3 -71.9 -40.1 31.9 16.9 32.5 360 668 A C H <5S+ 0 0 89 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.728 135.4 15.3 -84.7 -24.9 31.2 17.7 28.8 361 669 A R H <5S- 0 0 48 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.464 99.7-110.8-130.1 -7.6 27.8 19.4 28.8 362 670 A G S <> - 0 0 9 -262,-2.4 4,-2.6 -2,-0.3 3,-0.9 -0.848 11.1-166.0-103.2 103.3 14.1 10.2 35.0 368 676 A W H 3> S+ 0 0 18 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.860 85.0 64.0 -58.4 -43.1 15.0 7.8 37.8 369 677 A V H 34 S+ 0 0 16 1,-0.2 -1,-0.3 -334,-0.2 -333,-0.1 0.844 117.0 29.8 -50.3 -37.6 11.5 6.1 37.8 370 678 A W H <4 S+ 0 0 126 -3,-0.9 -2,-0.2 -265,-0.1 -1,-0.2 0.769 115.8 57.6 -93.0 -33.5 12.2 5.0 34.2 371 679 A I H < S+ 0 0 1 -4,-2.6 -3,-0.2 -266,-0.1 -2,-0.2 0.872 87.7 81.9 -69.2 -38.7 16.0 4.6 34.3 372 680 A V S < S- 0 0 14 -4,-2.4 5,-0.1 -5,-0.2 6,-0.1 -0.569 92.7-114.7 -70.1 124.3 16.0 2.0 37.2 373 681 A P - 0 0 6 0, 0.0 415,-0.2 0, 0.0 4,-0.1 -0.168 19.8-113.8 -60.7 154.1 15.2 -1.4 35.6 374 682 A P S S+ 0 0 13 0, 0.0 415,-2.2 0, 0.0 416,-0.4 0.368 98.2 44.5 -76.6 3.7 12.0 -3.1 36.6 375 683 A M S S+ 0 0 3 412,-0.2 411,-0.1 413,-0.2 -92,-0.1 -0.977 116.5 8.8-136.6 155.5 13.9 -5.9 38.3 376 684 A S S > S+ 0 0 5 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 0.817 73.1 172.4 53.5 38.5 16.9 -6.1 40.7 377 685 A G G > + 0 0 6 1,-0.2 3,-1.5 407,-0.2 6,-0.5 0.881 68.3 43.6 -45.0 -56.6 16.8 -2.2 41.0 378 686 A S G 3 S+ 0 0 2 407,-2.4 -1,-0.2 1,-0.3 408,-0.1 0.573 103.2 64.0 -79.7 -9.1 19.4 -1.7 43.8 379 687 A I G < S+ 0 0 16 -3,-1.2 -1,-0.3 406,-0.4 -2,-0.2 0.372 93.3 75.8 -91.2 4.7 22.0 -4.2 42.4 380 688 A T S X S- 0 0 1 -3,-1.5 3,-1.1 -4,-0.3 4,-0.4 -0.872 90.4-123.9-106.4 150.5 22.3 -1.9 39.3 381 689 A P G > S+ 0 0 34 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.798 102.4 69.2 -71.1 -25.9 24.3 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 0.781 87.9 68.6 -60.5 -27.5 21.6 3.7 38.6 383 691 A F G < S+ 0 0 34 -3,-1.1 -1,-0.3 -6,-0.5 -5,-0.1 0.872 104.0 41.7 -57.9 -36.6 19.5 2.9 41.8 384 692 A H G < S+ 0 0 13 -3,-1.3 -376,-2.8 -4,-0.4 2,-0.6 0.457 97.2 96.9 -92.8 -1.3 22.1 4.7 43.9 385 693 A Q B < -B 7 0B 5 -3,-1.1 -378,-0.2 -4,-0.4 2,-0.1 -0.808 69.5-138.9 -97.1 117.3 22.6 7.6 41.5 386 694 A E - 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