==== 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 3JX2 . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.L.DELKER,H.LI,T.L.POULOS . 820 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 545 66.5 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 . 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 . 70 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 27.6 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 7 1 0 2 0 0 2 0 0 2 0 0 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 213 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -44.5 20.6 27.8 40.6 2 300 A F - 0 0 140 17,-0.1 2,-0.4 16,-0.0 15,-0.2 -0.963 360.0-158.2-107.5 123.3 23.6 25.3 40.5 3 301 A L E -A 16 0A 37 13,-2.0 13,-4.4 -2,-0.5 2,-0.3 -0.822 8.6-146.0-116.0 143.2 22.5 21.9 41.6 4 302 A K E -A 15 0A 134 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.802 7.6-168.1-102.1 142.6 24.3 18.8 43.0 5 303 A V E -A 14 0A 0 9,-2.6 9,-3.3 -2,-0.3 2,-0.3 -0.999 11.9-158.9-125.6 137.2 23.5 15.2 42.5 6 304 A K E -A 13 0A 56 -2,-0.4 382,-2.3 7,-0.2 2,-0.6 -0.861 16.1-140.1-115.3 142.4 25.2 12.5 44.5 7 305 A N B > -B 387 0B 5 5,-2.1 4,-1.6 -2,-0.3 380,-0.2 -0.924 13.8-158.6 -95.3 123.6 25.8 8.8 44.0 8 306 A W T 4 S+ 0 0 99 378,-2.8 379,-0.1 -2,-0.6 -1,-0.1 0.568 89.4 50.5 -84.0 -8.8 25.2 7.1 47.4 9 307 A E T 4 S+ 0 0 48 377,-0.2 -1,-0.2 374,-0.2 378,-0.1 0.781 126.6 22.4 -91.7 -37.0 27.2 4.0 46.5 10 308 A T T 4 S- 0 0 82 2,-0.2 -2,-0.2 376,-0.1 3,-0.1 0.505 90.9-133.5-107.6 -9.2 30.4 5.9 45.2 11 309 A D < + 0 0 107 -4,-1.6 2,-0.2 1,-0.2 -3,-0.1 0.400 54.2 149.7 61.1 -0.4 30.0 9.3 47.0 12 310 A V - 0 0 70 -6,-0.1 -5,-2.1 -5,-0.1 2,-0.4 -0.455 32.3-156.7 -60.8 124.6 30.8 10.9 43.6 13 311 A V E -A 6 0A 75 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.902 7.1-165.2-110.4 134.2 29.0 14.3 43.4 14 312 A L E -A 5 0A 32 -9,-3.3 -9,-2.6 -2,-0.4 2,-0.5 -0.919 13.7-136.7-120.2 143.7 28.2 16.1 40.2 15 313 A T E -A 4 0A 65 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.879 15.4-150.5-102.0 125.2 27.1 19.7 39.6 16 314 A D E +A 3 0A 0 -13,-4.4 -13,-2.0 -2,-0.5 349,-0.2 -0.839 33.5 151.1 -98.7 123.4 24.3 20.3 37.2 17 315 A T > + 0 0 52 347,-2.6 3,-1.2 -2,-0.6 348,-0.2 0.517 61.8 79.5-115.4 -17.1 24.2 23.6 35.2 18 316 A L G > S+ 0 0 6 346,-1.6 3,-1.7 1,-0.3 4,-0.3 0.751 77.0 74.3 -69.1 -25.0 22.3 22.3 32.2 19 317 A H G > S+ 0 0 18 345,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.741 80.4 71.1 -60.1 -26.2 18.9 22.6 33.9 20 318 A L G < S+ 0 0 68 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.623 93.0 57.9 -71.6 -10.7 18.9 26.4 33.7 21 319 A K G < S+ 0 0 140 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.578 79.6 118.7 -87.6 -11.7 18.3 26.0 30.0 22 320 A S < + 0 0 18 -3,-1.7 372,-0.2 -4,-0.3 3,-0.0 -0.207 34.3 173.7 -56.7 142.9 15.1 24.0 30.5 23 321 A T + 0 0 70 370,-1.3 -1,-0.1 2,-0.1 371,-0.1 0.756 49.2 72.1-111.7 -64.1 12.0 25.6 29.1 24 322 A L S S- 0 0 58 369,-0.4 369,-0.5 1,-0.1 2,-0.1 -0.022 83.3-104.3 -58.9 155.3 9.0 23.3 29.3 25 323 A E - 0 0 128 1,-0.1 417,-0.2 367,-0.1 -1,-0.1 -0.453 15.6-145.6 -88.2 157.1 7.3 22.6 32.6 26 324 A T - 0 0 22 415,-2.4 416,-0.1 2,-0.3 415,-0.1 0.666 36.6-113.5 -94.8 -21.6 7.6 19.3 34.7 27 325 A G S S+ 0 0 30 1,-0.5 414,-0.1 414,-0.2 415,-0.1 -0.053 86.6 104.6 98.3 -27.5 4.2 18.7 36.3 28 326 A C - 0 0 4 412,-0.4 -1,-0.5 413,-0.1 -2,-0.3 -0.344 46.9-176.4 -80.2 163.1 5.8 19.3 39.7 29 327 A T - 0 0 43 3,-2.5 410,-0.4 -3,-0.1 408,-0.1 -0.780 48.0 -90.1-136.2-171.2 5.5 22.4 41.9 30 328 A E S S+ 0 0 68 -2,-0.2 407,-3.2 1,-0.2 408,-0.3 0.771 129.0 43.6 -68.9 -26.8 7.0 23.5 45.3 31 329 A H S S+ 0 0 80 405,-0.2 773,-0.4 1,-0.2 2,-0.4 0.760 119.2 30.2 -89.9 -29.6 3.9 21.9 46.9 32 330 A I - 0 0 9 771,-0.1 -3,-2.5 407,-0.1 2,-0.6 -0.992 59.5-145.6-142.4 134.1 3.6 18.6 45.0 33 331 A C B +C 802 0C 11 769,-2.8 769,-1.9 -2,-0.4 3,-0.2 -0.877 12.4 179.5 -97.8 124.5 5.9 16.1 43.2 34 332 A M > + 0 0 27 -2,-0.6 3,-2.6 767,-0.2 -1,-0.1 0.099 40.1 127.8-107.1 19.9 4.4 14.4 40.1 35 333 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 767,-0.1 336,-0.1 0.724 73.0 47.2 -43.5 -36.7 7.6 12.3 39.5 36 334 A S T 3 S+ 0 0 16 764,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.348 84.4 111.7 -95.6 8.2 5.7 9.0 39.3 37 335 A I < - 0 0 13 -3,-2.6 -3,-0.1 1,-0.1 379,-0.0 -0.670 59.1-150.2 -83.6 129.9 2.9 10.3 36.9 38 336 A V S S+ 0 0 39 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.925 88.2 17.1 -69.2 -44.4 3.1 8.7 33.5 39 337 A L 0 0 118 -12,-0.0 -1,-0.3 361,-0.0 -12,-0.0 -0.868 360.0 360.0-126.8 98.2 1.6 11.7 31.6 40 338 A P 0 0 91 0, 0.0 -13,-0.1 0, 0.0 -12,-0.0 -0.433 360.0 360.0 -83.9 360.0 1.6 15.1 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 42 348 A V 0 0 106 0, 0.0 2,-0.1 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 169.5 -0.1 24.8 15.2 43 349 A R - 0 0 81 227,-0.2 2,-0.1 1,-0.1 0, 0.0 -0.484 360.0-126.0 -69.8 145.4 2.4 27.5 16.4 44 350 A T > - 0 0 84 -2,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.417 30.2 -97.8 -82.9 169.3 1.8 31.1 15.2 45 351 A K H > S+ 0 0 94 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.829 125.7 49.7 -51.3 -37.4 4.4 33.2 13.4 46 352 A D H 4 S+ 0 0 137 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.774 112.3 44.6 -77.0 -32.0 5.3 34.8 16.8 47 353 A Q H > S+ 0 0 100 -3,-0.4 4,-1.1 2,-0.1 -2,-0.2 0.834 110.1 56.4 -78.7 -35.7 5.7 31.6 18.7 48 354 A L H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.880 97.5 59.5 -69.1 -39.7 7.7 29.9 16.0 49 355 A F H X S+ 0 0 50 -4,-1.2 4,-2.7 1,-0.2 5,-0.2 0.901 103.4 47.1 -65.3 -44.5 10.5 32.4 15.7 50 356 A P H > S+ 0 0 75 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.919 113.4 52.3 -59.2 -38.0 12.0 32.4 19.2 51 357 A L H X S+ 0 0 41 -4,-1.1 4,-2.2 2,-0.2 219,-0.2 0.928 110.5 46.7 -60.8 -46.2 11.9 28.6 19.1 52 358 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 217,-0.2 5,-0.2 0.924 113.6 48.6 -60.8 -47.6 13.8 28.5 15.8 53 359 A K H X S+ 0 0 89 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.911 109.3 51.5 -60.7 -48.1 16.4 31.0 17.1 54 360 A E H X S+ 0 0 64 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.940 114.8 44.5 -54.3 -48.9 16.9 29.1 20.3 55 361 A F H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.927 113.5 47.6 -61.4 -48.6 17.5 26.0 18.3 56 362 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.861 108.6 57.4 -64.9 -34.6 19.8 27.5 15.6 57 363 A D H X S+ 0 0 33 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.923 109.3 43.4 -58.6 -49.0 21.8 29.2 18.4 58 364 A Q H X S+ 0 0 50 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.911 113.2 54.1 -66.9 -38.8 22.6 25.8 20.0 59 365 A Y H X S+ 0 0 25 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.958 111.6 42.0 -56.1 -55.7 23.3 24.3 16.6 60 366 A Y H <>S+ 0 0 28 -4,-2.9 5,-3.2 1,-0.2 6,-0.3 0.766 113.3 53.3 -67.4 -28.3 25.9 27.0 15.6 61 367 A S H ><5S+ 0 0 64 -4,-1.7 3,-1.6 4,-0.2 5,-0.2 0.883 106.1 54.2 -67.8 -40.0 27.4 26.9 19.0 62 368 A S H 3<5S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.809 108.6 47.5 -64.9 -33.2 27.8 23.2 18.7 63 369 A I T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.170 117.8-116.7 -92.1 16.7 29.7 23.5 15.4 64 370 A K T < 5S+ 0 0 191 -3,-1.6 -3,-0.2 -5,-0.1 -2,-0.1 0.786 89.3 110.3 50.7 38.0 31.8 26.2 17.1 65 371 A R > < + 0 0 138 -5,-3.2 3,-1.8 -6,-0.1 6,-0.4 -0.072 38.6 153.1-125.3 27.6 30.6 28.9 14.7 66 372 A F T 3 S+ 0 0 126 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.400 73.2 8.6 -60.6 130.9 28.5 30.8 17.2 67 373 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.497 97.7 135.5 75.5 3.6 28.2 34.4 16.2 68 374 A S S <> S- 0 0 32 -3,-1.8 4,-2.4 -8,-0.1 3,-0.2 -0.331 72.0-104.0 -79.3 166.1 29.8 33.9 12.8 69 375 A K H > S+ 0 0 154 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.895 122.6 54.3 -60.1 -41.7 28.4 35.3 9.5 70 376 A A H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 109.1 50.5 -58.2 -39.0 26.9 31.9 8.5 71 377 A H H > S+ 0 0 1 -6,-0.4 4,-1.9 -3,-0.2 -2,-0.2 0.980 113.4 43.4 -58.9 -57.7 25.1 31.8 11.9 72 378 A M H X S+ 0 0 90 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.883 114.2 51.2 -58.0 -42.3 23.7 35.4 11.5 73 379 A D H X S+ 0 0 85 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.881 108.5 51.0 -63.9 -41.8 22.7 34.7 7.8 74 380 A R H X S+ 0 0 8 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.873 108.3 52.0 -63.1 -38.5 20.9 31.5 8.7 75 381 A L H X S+ 0 0 22 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.942 110.5 49.6 -64.8 -46.4 18.9 33.3 11.4 76 382 A E H X S+ 0 0 98 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.931 109.6 50.5 -48.3 -55.2 17.9 36.0 8.8 77 383 A E H X S+ 0 0 97 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.785 112.0 47.0 -60.6 -33.0 16.8 33.4 6.2 78 384 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.917 110.4 50.9 -78.7 -45.2 14.6 31.5 8.7 79 385 A N H X S+ 0 0 45 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.856 111.4 49.6 -56.8 -38.2 12.9 34.6 10.0 80 386 A K H X S+ 0 0 123 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.844 110.2 50.1 -71.5 -34.1 12.2 35.7 6.5 81 387 A E H X>S+ 0 0 52 -4,-1.2 4,-2.6 2,-0.2 6,-0.7 0.835 111.3 48.7 -74.0 -33.5 10.7 32.3 5.6 82 388 A I H X5S+ 0 0 2 -4,-2.3 4,-1.6 4,-0.2 -2,-0.2 0.917 106.7 56.5 -70.9 -44.4 8.5 32.4 8.7 83 389 A E H <5S+ 0 0 114 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.827 123.0 23.9 -54.3 -36.4 7.2 35.9 8.0 84 390 A S H <5S+ 0 0 95 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.819 135.3 29.4-104.5 -39.6 6.0 34.9 4.5 85 391 A T H <5S- 0 0 72 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.614 93.4-132.0 -95.4 -15.5 5.3 31.1 4.6 86 392 A S S < - 0 0 99 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.368 31.5-109.0 -60.0 154.5 18.7 22.0 6.5 92 398 A D H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 120.9 52.3 -53.5 -45.3 19.8 18.3 6.5 93 399 A T H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.868 110.1 47.8 -63.8 -38.3 22.6 19.1 9.0 94 400 A E H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.820 110.9 52.3 -68.3 -35.3 20.1 20.7 11.4 95 401 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.934 109.9 47.0 -69.9 -45.8 17.7 17.8 11.0 96 402 A I H X S+ 0 0 72 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.952 116.9 45.1 -58.8 -50.1 20.5 15.2 11.8 97 403 A Y H X S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.928 112.1 51.9 -57.0 -50.8 21.5 17.4 14.8 98 404 A G H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.921 111.5 46.3 -54.8 -46.7 17.8 17.9 15.9 99 405 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.887 112.4 49.6 -61.9 -43.3 17.0 14.2 15.9 100 406 A K H X S+ 0 0 48 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.866 112.2 47.7 -69.7 -40.7 20.2 13.2 17.7 101 407 A H H X S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.784 102.4 61.8 -71.3 -28.0 19.6 15.8 20.4 102 408 A A H < S+ 0 0 0 -4,-1.9 296,-0.5 -5,-0.2 4,-0.4 0.937 112.2 40.4 -60.0 -39.2 16.0 14.7 20.8 103 409 A W H >< S+ 0 0 37 -4,-1.6 3,-1.9 2,-0.2 -2,-0.2 0.954 111.4 55.1 -71.7 -49.4 17.4 11.4 21.8 104 410 A R H 3< S+ 0 0 31 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.837 112.4 46.7 -48.8 -33.5 20.3 13.0 23.9 105 411 A N T 3< S+ 0 0 9 -4,-2.2 2,-0.9 291,-0.2 289,-0.4 0.497 77.5 116.0 -91.8 -6.9 17.5 14.8 25.8 106 412 A A X - 0 0 27 -3,-1.9 3,-1.6 -4,-0.4 6,-0.1 -0.510 46.4-168.2 -71.6 104.7 15.1 11.9 26.4 107 413 A S T 3 S+ 0 0 22 -2,-0.9 262,-2.9 1,-0.3 -1,-0.2 0.721 81.7 55.4 -73.9 -20.0 15.2 11.7 30.2 108 414 A R T 3 S+ 0 0 56 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.426 86.0 98.4 -87.8 -1.4 13.5 8.3 30.3 109 415 A C X - 0 0 38 -3,-1.6 3,-0.8 -6,-0.2 264,-0.1 -0.806 47.4-173.4 -99.6 117.7 16.0 6.6 28.0 110 416 A V T 3 S+ 0 0 23 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.642 81.5 64.9 -77.4 -16.0 18.7 4.5 29.7 111 417 A G T > + 0 0 28 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.155 60.4 118.0 -97.1 19.3 20.4 3.8 26.4 112 418 A R G X + 0 0 0 -3,-0.8 3,-2.1 1,-0.3 -1,-0.2 0.519 50.7 87.3 -69.2 -0.8 21.5 7.4 25.6 113 419 A I G 3 S+ 0 0 49 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.814 90.8 53.4 -65.4 -20.5 25.2 6.6 25.6 114 420 A Q G X S+ 0 0 45 -3,-1.6 3,-1.8 1,-0.2 -1,-0.3 0.309 74.2 117.1 -89.2 3.3 24.5 5.8 22.0 115 421 A W T < S+ 0 0 44 -3,-2.1 -1,-0.2 1,-0.3 -11,-0.2 0.774 71.4 51.1 -55.4 -36.2 23.0 9.1 21.1 116 422 A S T 3 S+ 0 0 58 -3,-0.4 2,-1.3 1,-0.2 -1,-0.3 0.725 97.5 70.7 -74.8 -20.8 25.5 10.3 18.6 117 423 A K < + 0 0 115 -3,-1.8 2,-0.4 -17,-0.1 34,-0.3 -0.671 68.0 130.7 -97.5 79.7 25.4 7.0 16.5 118 424 A L - 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0 0 32 -5,-1.4 2,-0.9 1,-0.0 -1,-0.2 -0.666 48.3 -96.4 -97.9 156.7 7.7 -24.0 43.2 311 617 A D + 0 0 59 -2,-0.2 3,-0.4 1,-0.2 8,-0.3 -0.629 43.0 173.1 -74.7 102.4 5.6 -23.4 46.3 312 618 A M + 0 0 51 -2,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.244 56.4 89.7 -96.6 11.4 2.9 -21.0 45.1 313 619 A R S S+ 0 0 222 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.831 91.1 36.7 -79.0 -30.9 0.9 -21.2 48.4 314 620 A K > - 0 0 83 -3,-0.4 3,-1.5 1,-0.1 5,-0.4 -0.975 67.3-143.8-125.4 135.2 2.7 -18.3 50.1 315 621 A T G > S+ 0 0 52 -2,-0.4 3,-1.9 1,-0.2 5,-0.2 0.832 98.2 71.9 -59.7 -28.8 4.0 -15.1 48.5 316 622 A S G 3 S+ 0 0 15 1,-0.3 -1,-0.2 2,-0.1 427,-0.1 0.488 77.6 73.1 -71.3 -7.5 7.0 -15.4 51.0 317 623 A S G < S- 0 0 21 -3,-1.5 -1,-0.3 -6,-0.2 -2,-0.1 0.525 100.6-134.7 -74.8 -7.3 8.5 -18.3 49.1 318 624 A L <> + 0 0 0 -3,-1.9 4,-2.0 -4,-0.1 5,-0.2 0.815 53.0 151.0 53.6 35.5 9.4 -15.6 46.5 319 625 A W H > S+ 0 0 19 -5,-0.4 4,-2.7 -8,-0.3 5,-0.2 0.896 70.1 53.6 -63.3 -39.2 8.2 -18.0 43.7 320 626 A K H > S+ 0 0 63 -5,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 109.8 47.9 -57.0 -43.1 7.3 -15.0 41.6 321 627 A D H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.848 112.0 49.0 -71.7 -34.4 10.8 -13.6 42.0 322 628 A Q H X S+ 0 0 29 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.930 113.0 46.2 -68.1 -48.7 12.4 -16.9 41.1 323 629 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.821 109.5 57.0 -62.1 -34.1 10.3 -17.4 38.0 324 630 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.946 105.0 49.6 -65.7 -46.4 11.0 -13.8 37.0 325 631 A V H X S+ 0 0 5 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.940 112.8 47.5 -55.4 -48.5 14.8 -14.3 37.1 326 632 A E H X S+ 0 0 21 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.907 107.9 53.9 -63.2 -46.6 14.5 -17.5 34.9 327 633 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.900 113.0 45.8 -51.4 -43.6 12.1 -15.9 32.3 328 634 A N H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.787 108.1 54.4 -77.0 -27.1 14.7 -13.1 32.0 329 635 A I H X S+ 0 0 12 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.886 109.4 50.9 -62.9 -41.0 17.7 -15.5 31.8 330 636 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -89,-0.5 0.894 106.9 51.4 -68.5 -43.8 15.8 -17.2 28.9 331 637 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 5,-0.3 0.956 113.8 44.4 -55.6 -53.4 15.1 -14.0 26.9 332 638 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.946 114.5 48.7 -60.1 -48.2 18.8 -13.0 27.1 333 639 A Y H X S+ 0 0 87 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.870 111.1 50.3 -58.8 -43.3 20.0 -16.5 26.2 334 640 A S H X S+ 0 0 0 -4,-2.6 4,-1.4 -93,-0.3 -1,-0.2 0.914 112.5 45.1 -64.2 -46.9 17.6 -16.8 23.3 335 641 A F H <>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 -2,-0.2 0.908 115.5 48.4 -63.7 -44.7 18.6 -13.4 21.7 336 642 A Q H ><5S+ 0 0 75 -4,-2.6 3,-2.0 -5,-0.3 -2,-0.2 0.936 108.8 52.0 -60.0 -47.8 22.3 -14.2 22.2 337 643 A S H 3<5S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.789 114.0 44.8 -62.3 -29.2 22.1 -17.7 20.7 338 644 A D T 3<5S- 0 0 61 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.307 113.4-120.2 -94.0 5.6 20.4 -16.2 17.6 339 645 A K T < 5 + 0 0 161 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.865 62.3 145.9 53.3 41.9 22.9 -13.3 17.4 340 646 A V < - 0 0 5 -5,-2.9 -1,-0.2 -6,-0.1 -192,-0.2 -0.955 57.1-109.5-106.1 117.6 20.3 -10.6 17.8 341 647 A T + 0 0 45 -194,-2.8 -59,-0.5 -2,-0.6 2,-0.3 -0.131 51.9 155.5 -44.7 132.5 21.6 -7.6 19.7 342 648 A I - 0 0 22 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.958 28.3-146.6-154.4 151.9 20.2 -7.3 23.2 343 649 A V B -o 283 0J 32 -61,-2.5 -59,-2.9 -2,-0.3 2,-0.2 -0.969 13.3-134.5-122.2 139.2 21.5 -5.7 26.3 344 650 A D > - 0 0 11 -2,-0.4 4,-2.7 -61,-0.2 5,-0.2 -0.570 28.3-109.1 -84.9 163.0 21.0 -6.8 29.9 345 651 A H H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.778 116.5 54.9 -65.1 -25.7 20.0 -4.4 32.7 346 652 A H H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.992 113.7 41.4 -70.7 -50.5 23.4 -4.6 34.5 347 653 A S H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.882 115.6 49.6 -57.9 -48.5 25.2 -3.7 31.3 348 654 A A H X S+ 0 0 8 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.949 114.4 42.9 -58.9 -55.3 22.7 -1.0 30.2 349 655 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.903 111.1 55.2 -61.7 -43.2 22.7 0.9 33.6 350 656 A E H X S+ 0 0 130 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.951 112.2 46.0 -50.7 -46.8 26.5 0.6 34.0 351 657 A S H X S+ 0 0 43 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.861 108.3 53.5 -66.6 -40.9 26.7 2.3 30.6 352 658 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.880 106.2 54.8 -64.4 -35.1 24.1 4.9 31.5 353 659 A I H X S+ 0 0 19 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.961 109.4 46.6 -58.5 -49.1 26.3 5.8 34.6 354 660 A K H X S+ 0 0 134 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.905 112.0 51.7 -57.3 -44.0 29.3 6.3 32.3 355 661 A H H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.887 106.4 53.7 -61.6 -39.5 27.1 8.4 30.0 356 662 A M H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.957 107.7 50.4 -59.8 -47.5 26.0 10.6 32.9 357 663 A E H X S+ 0 0 97 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.855 112.2 47.7 -59.1 -39.2 29.5 11.3 33.9 358 664 A N H X S+ 0 0 48 -4,-1.9 4,-3.3 2,-0.2 5,-0.3 0.949 111.1 50.0 -65.2 -49.3 30.3 12.3 30.3 359 665 A E H X>S+ 0 0 7 -4,-2.7 6,-2.5 1,-0.2 4,-1.5 0.797 110.6 51.9 -60.6 -31.3 27.2 14.5 30.0 360 666 A Y H X5S+ 0 0 14 -4,-2.2 4,-0.5 4,-0.3 -1,-0.2 0.933 118.0 34.4 -72.7 -47.4 28.2 16.2 33.3 361 667 A R H <5S+ 0 0 181 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.889 127.9 39.0 -71.9 -34.7 31.7 17.1 32.3 362 668 A C H <5S+ 0 0 80 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.630 138.4 9.3 -93.1 -17.4 30.9 17.7 28.6 363 669 A R H <5S- 0 0 49 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.423 98.8-113.0-137.8 -15.6 27.6 19.5 28.7 364 670 A G S <> - 0 0 10 -262,-2.9 4,-2.5 -2,-0.4 3,-1.7 -0.817 11.6-165.1-105.7 96.4 14.0 10.3 35.1 370 676 A W H 3> S+ 0 0 17 -2,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.818 84.6 62.2 -55.2 -39.1 15.0 7.9 37.9 371 677 A V H 34 S+ 0 0 19 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.811 116.7 30.7 -56.6 -35.6 11.5 6.2 37.9 372 678 A W H <4 S+ 0 0 114 -3,-1.7 -2,-0.2 -265,-0.1 -1,-0.2 0.708 115.1 59.2 -92.7 -30.7 12.1 5.0 34.3 373 679 A I H < S+ 0 0 1 -4,-2.5 -2,-0.2 -266,-0.1 -3,-0.2 0.930 89.0 78.6 -68.5 -42.3 15.9 4.6 34.3 374 680 A V S < S- 0 0 15 -4,-2.2 5,-0.1 -5,-0.2 6,-0.1 -0.540 93.5-115.5 -69.5 124.7 15.9 2.1 37.2 375 681 A P - 0 0 7 0, 0.0 415,-0.2 0, 0.0 4,-0.2 -0.161 19.6-111.9 -63.7 156.1 15.0 -1.4 35.6 376 682 A P S S+ 0 0 14 0, 0.0 415,-2.1 0, 0.0 416,-0.4 0.400 100.1 45.1 -77.5 5.3 11.8 -3.1 36.7 377 683 A M S S+ 0 0 3 412,-0.2 411,-0.1 413,-0.2 -92,-0.1 -0.985 116.2 7.6-139.7 153.2 13.8 -5.9 38.4 378 684 A S S >> S+ 0 0 4 -2,-0.3 3,-1.4 354,-0.1 4,-0.6 0.805 72.1 168.7 54.1 34.9 16.8 -6.0 40.8 379 685 A G G >4 + 0 0 5 1,-0.3 3,-1.9 407,-0.2 6,-0.6 0.896 68.5 45.7 -43.0 -59.7 16.7 -2.2 41.0 380 686 A S G 34 S+ 0 0 2 407,-1.7 -1,-0.3 1,-0.3 408,-0.1 0.578 105.1 60.7 -72.4 -10.8 19.1 -1.7 43.9 381 687 A I G <4 S+ 0 0 16 -3,-1.4 -1,-0.3 406,-0.4 -2,-0.2 0.474 93.9 76.2 -91.5 -1.6 21.8 -4.2 42.5 382 688 A T S X< S- 0 0 1 -3,-1.9 3,-1.0 -4,-0.6 4,-0.4 -0.805 90.3-123.5-100.2 149.4 22.1 -1.9 39.4 383 689 A P G > S+ 0 0 31 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.750 102.3 70.8 -70.9 -19.3 24.1 1.3 39.8 384 690 A V G > S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 -10,-0.1 0.801 87.0 68.1 -67.3 -28.5 21.4 3.7 38.7 385 691 A F G < S+ 0 0 34 -3,-1.0 -1,-0.3 -6,-0.6 -5,-0.1 0.859 102.9 43.7 -51.4 -41.6 19.4 2.9 41.9 386 692 A H G < S+ 0 0 14 -3,-0.9 -378,-2.8 -4,-0.4 2,-0.5 0.498 96.3 96.4 -87.7 -2.8 22.0 4.7 44.0 387 693 A Q B < -B 7 0B 11 -3,-1.1 -380,-0.2 -4,-0.4 2,-0.1 -0.763 69.0-136.9-100.3 119.5 22.4 7.7 41.6 388 694 A E - 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