==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-SEP-09 3JT6 . 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) . 35440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 545 66.6 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 . 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 . 67 8.2 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 . 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 5 2 0 1 1 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 . 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 . 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 . 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 0 216 0, 0.0 2,-0.4 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -35.5 20.5 27.3 41.0 2 300 A F - 0 0 135 17,-0.1 2,-0.4 18,-0.0 15,-0.2 -0.940 360.0-153.4 -94.9 132.7 23.8 25.2 40.4 3 301 A L E -A 16 0A 38 13,-2.1 13,-5.3 -2,-0.4 2,-0.3 -0.890 14.7-149.0-126.8 145.3 22.9 21.7 41.5 4 302 A K E -A 15 0A 130 -2,-0.4 2,-0.4 11,-0.3 11,-0.2 -0.787 5.8-166.3-107.1 142.0 24.7 18.7 42.9 5 303 A V E -A 14 0A 0 9,-2.5 9,-2.4 -2,-0.3 2,-0.4 -0.985 11.2-156.3-124.5 142.8 23.9 15.0 42.4 6 304 A K E -A 13 0A 60 -2,-0.4 380,-2.3 7,-0.2 2,-0.6 -0.930 15.0-142.6-121.3 137.5 25.5 12.3 44.5 7 305 A N B > -B 385 0B 5 5,-2.8 4,-1.7 -2,-0.4 378,-0.2 -0.909 14.6-160.1 -94.3 122.4 26.1 8.6 43.9 8 306 A W T 4 S+ 0 0 84 376,-2.8 377,-0.1 -2,-0.6 -1,-0.1 0.496 86.9 52.5 -84.5 -5.3 25.5 7.0 47.3 9 307 A E T 4 S+ 0 0 38 375,-0.2 -1,-0.2 372,-0.2 376,-0.1 0.724 127.0 18.8 -94.8 -33.4 27.4 3.8 46.4 10 308 A T T 4 S- 0 0 76 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.446 92.5-127.7-117.5 -4.4 30.6 5.6 45.3 11 309 A D < + 0 0 106 -4,-1.7 -3,-0.1 1,-0.2 2,-0.0 0.458 54.2 153.4 60.3 3.3 30.4 9.1 46.8 12 310 A V - 0 0 60 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.4 -0.392 28.4-158.3 -58.9 138.2 31.0 10.6 43.3 13 311 A V E -A 6 0A 81 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.987 8.8-170.6-128.0 122.4 29.5 14.2 43.1 14 312 A L E -A 5 0A 25 -9,-2.4 -9,-2.5 -2,-0.4 2,-0.5 -0.887 16.2-137.3-112.8 146.1 28.5 15.9 39.9 15 313 A T E -A 4 0A 62 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.3 -0.892 15.4-147.5-103.8 127.0 27.4 19.6 39.5 16 314 A D E +A 3 0A 0 -13,-5.3 -13,-2.1 -2,-0.5 347,-0.2 -0.837 35.0 151.6 -98.3 121.2 24.6 20.2 37.1 17 315 A T > + 0 0 54 345,-3.3 3,-1.1 -2,-0.6 4,-0.3 0.493 61.3 79.1-112.2 -11.1 24.6 23.5 35.2 18 316 A L G > S+ 0 0 8 344,-1.9 3,-2.0 1,-0.3 345,-0.2 0.823 77.0 72.5 -71.4 -30.2 22.6 22.3 32.1 19 317 A H G > S+ 0 0 18 343,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.708 84.8 67.1 -59.0 -23.2 19.2 22.5 33.8 20 318 A L G < S+ 0 0 56 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.737 95.1 56.6 -70.2 -21.1 19.3 26.3 33.7 21 319 A K G < S+ 0 0 159 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.244 87.4 126.9 -86.2 11.2 19.1 26.0 29.9 22 320 A S < + 0 0 18 -3,-1.4 370,-0.2 1,-0.1 419,-0.0 -0.354 32.2 171.6 -72.9 152.2 15.9 24.1 30.6 23 321 A T + 0 0 55 368,-1.9 369,-0.1 417,-0.1 -1,-0.1 0.666 44.1 63.0-126.0 -76.6 12.7 25.2 28.9 24 322 A L S S- 0 0 50 367,-0.5 367,-0.4 1,-0.1 2,-0.2 0.097 82.6 -98.9 -54.0 165.5 9.5 23.1 29.1 25 323 A E - 0 0 147 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.613 18.4-146.9 -97.3 152.6 7.7 22.5 32.4 26 324 A T - 0 0 18 413,-3.3 414,-0.1 2,-0.2 3,-0.1 0.651 34.7-116.2 -92.1 -19.5 7.9 19.3 34.6 27 325 A G S S+ 0 0 33 1,-0.4 412,-0.1 412,-0.3 2,-0.1 0.008 82.8 109.6 95.1 -28.3 4.5 18.8 36.2 28 326 A C - 0 0 4 410,-0.3 -1,-0.4 411,-0.2 2,-0.3 -0.401 45.4-173.2 -79.2 157.1 6.1 19.3 39.6 29 327 A T - 0 0 45 3,-2.2 408,-0.4 -3,-0.1 406,-0.1 -0.808 44.1 -99.7-130.1 179.0 5.6 22.3 42.0 30 328 A E S S+ 0 0 64 -2,-0.3 405,-2.5 1,-0.2 406,-0.2 0.693 126.1 48.4 -72.2 -16.3 7.3 23.2 45.3 31 329 A H S S+ 0 0 86 1,-0.2 771,-0.4 403,-0.2 2,-0.3 0.707 121.2 24.0 -91.1 -22.7 4.1 21.9 46.9 32 330 A I - 0 0 10 769,-0.1 -3,-2.2 405,-0.1 2,-0.4 -0.940 62.2-144.1-154.8 122.3 3.9 18.5 45.0 33 331 A C B -C 800 0C 10 767,-2.6 767,-1.7 -2,-0.3 3,-0.2 -0.759 11.1-177.3 -87.0 130.6 6.2 16.1 43.2 34 332 A M > + 0 0 28 -2,-0.4 3,-2.2 765,-0.2 -1,-0.1 0.075 38.7 130.6-112.4 23.2 4.8 14.4 40.1 35 333 A G T 3 S+ 0 0 22 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.665 71.7 47.5 -49.4 -28.0 7.8 12.3 39.4 36 334 A S T 3 S+ 0 0 16 762,-0.5 2,-0.3 -3,-0.2 -1,-0.3 0.373 81.0 111.0-102.4 3.4 5.9 9.0 39.1 37 335 A I < - 0 0 13 -3,-2.2 -3,-0.0 1,-0.1 377,-0.0 -0.641 60.8-146.9 -74.2 129.7 3.1 10.2 36.8 38 336 A M S S+ 0 0 51 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.879 90.3 19.5 -62.5 -41.1 3.4 8.6 33.3 39 337 A L 0 0 100 -3,-0.0 -1,-0.3 -12,-0.0 -12,-0.0 -0.832 360.0 360.0-132.4 88.3 2.0 11.7 31.5 40 338 A P 0 0 99 0, 0.0 -13,-0.1 0, 0.0 -12,-0.0 -0.231 360.0 360.0 -87.5 360.0 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 0 125 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 166.2 1.9 30.8 15.4 43 351 A K H > + 0 0 85 1,-0.2 4,-1.1 2,-0.2 37,-0.1 0.794 360.0 54.1 -63.7 -36.0 4.5 32.9 13.7 44 352 A D H 4 S+ 0 0 146 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.670 114.0 41.7 -72.5 -21.5 5.1 34.8 17.0 45 353 A Q H > S+ 0 0 121 -3,-0.4 4,-1.2 2,-0.1 -2,-0.2 0.773 107.6 59.2 -95.9 -35.4 5.8 31.5 18.8 46 354 A L H X S+ 0 0 18 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.830 96.5 61.2 -68.6 -33.4 7.8 29.8 16.1 47 355 A F H X S+ 0 0 49 -4,-1.1 4,-3.2 2,-0.2 5,-0.2 0.930 101.9 46.5 -69.6 -46.3 10.6 32.3 15.9 48 356 A P H > S+ 0 0 76 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.956 115.7 50.0 -55.4 -42.9 12.0 32.2 19.5 49 357 A L H X S+ 0 0 58 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.894 111.7 46.8 -61.9 -42.8 11.9 28.4 19.2 50 358 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.937 114.4 48.4 -61.9 -48.5 13.8 28.5 15.8 51 359 A K H X S+ 0 0 87 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.915 109.7 51.1 -55.9 -48.3 16.3 31.0 17.2 52 360 A E H X S+ 0 0 55 -4,-3.2 4,-2.0 -5,-0.2 -1,-0.2 0.958 114.6 43.5 -59.6 -50.7 17.0 29.0 20.4 53 361 A F H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.940 114.6 47.8 -59.4 -50.0 17.6 25.8 18.3 54 362 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.844 107.6 58.2 -63.6 -33.8 19.8 27.5 15.7 55 363 A D H X S+ 0 0 33 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.944 110.0 42.3 -58.0 -49.3 21.7 29.2 18.4 56 364 A Q H X S+ 0 0 48 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.895 111.7 55.8 -69.7 -37.6 22.7 25.8 19.9 57 365 A Y H X S+ 0 0 24 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.962 110.3 43.3 -53.6 -55.0 23.3 24.3 16.5 58 366 A Y H <>S+ 0 0 28 -4,-2.5 5,-3.3 1,-0.2 6,-0.4 0.785 111.7 54.8 -67.8 -28.6 25.9 26.9 15.5 59 367 A S H ><5S+ 0 0 66 -4,-1.6 3,-1.2 4,-0.2 -1,-0.2 0.879 105.2 53.8 -65.4 -40.8 27.5 26.8 18.9 60 368 A S H 3<5S+ 0 0 61 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.767 108.9 47.1 -66.8 -28.2 28.0 23.0 18.6 61 369 A I T 3<5S- 0 0 68 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.233 117.7-115.3 -97.0 14.1 29.8 23.4 15.2 62 370 A K T < 5S+ 0 0 194 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.770 88.1 112.7 59.8 34.6 31.9 26.1 16.9 63 371 A R > < + 0 0 141 -5,-3.3 3,-1.6 -6,-0.2 6,-0.4 0.007 37.9 155.7-123.0 27.4 30.5 28.8 14.5 64 372 A F T 3 S+ 0 0 134 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.326 72.1 3.5 -62.5 129.4 28.5 30.8 17.1 65 373 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.747 98.0 138.8 64.0 23.9 27.9 34.5 16.1 66 374 A S S <> S- 0 0 32 -3,-1.6 4,-2.3 1,-0.1 3,-0.3 -0.554 71.6-103.5 -88.6 162.2 29.6 33.9 12.7 67 375 A K H > S+ 0 0 158 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.949 124.4 54.1 -46.4 -56.2 28.3 35.4 9.5 68 376 A A H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 108.6 50.8 -50.8 -38.1 26.9 32.0 8.5 69 377 A H H > S+ 0 0 2 -6,-0.4 4,-2.2 -3,-0.3 3,-0.3 0.996 113.2 42.4 -58.3 -61.4 25.1 31.9 11.8 70 378 A M H X S+ 0 0 86 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.880 112.1 56.1 -56.0 -42.9 23.5 35.3 11.5 71 379 A D H X S+ 0 0 78 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.898 108.4 46.2 -55.7 -49.5 22.7 34.7 7.8 72 380 A R H X S+ 0 0 10 -4,-1.8 4,-2.7 -3,-0.3 5,-0.3 0.907 109.7 55.0 -60.9 -44.0 20.7 31.5 8.6 73 381 A L H X S+ 0 0 24 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.926 111.7 43.6 -57.8 -46.2 18.8 33.3 11.4 74 382 A E H X S+ 0 0 112 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.931 113.2 52.7 -60.9 -46.1 17.7 36.0 9.0 75 383 A E H X S+ 0 0 93 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.855 110.9 46.0 -59.4 -40.0 16.8 33.4 6.3 76 384 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.900 111.9 51.6 -74.7 -39.5 14.7 31.4 8.8 77 385 A N H X S+ 0 0 43 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.892 109.4 49.8 -58.4 -42.4 13.0 34.5 10.0 78 386 A K H X S+ 0 0 138 -4,-2.7 4,-1.1 1,-0.2 5,-0.2 0.878 110.4 51.1 -66.3 -35.2 12.1 35.6 6.4 79 387 A E H X S+ 0 0 49 -4,-1.6 4,-2.4 -5,-0.2 6,-0.6 0.863 110.5 48.6 -70.0 -36.8 10.7 32.1 5.7 80 388 A I H X S+ 0 0 3 -4,-1.9 4,-1.7 3,-0.2 -2,-0.2 0.894 106.8 56.6 -69.2 -41.2 8.5 32.3 8.8 81 389 A E H < S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.801 122.1 24.0 -63.1 -32.5 7.2 35.7 8.0 82 390 A S H < S+ 0 0 100 -4,-1.1 -2,-0.2 3,-0.2 -1,-0.2 0.752 134.1 31.8-107.8 -30.7 5.9 34.7 4.6 83 391 A T H < S- 0 0 70 -4,-2.4 -3,-0.2 2,-0.3 -2,-0.2 0.609 92.3-131.3-102.8 -16.0 5.3 31.0 4.7 84 392 A S S < S+ 0 0 69 -4,-1.7 2,-0.2 -5,-0.4 -4,-0.2 0.315 85.3 41.7 77.7 -6.3 4.3 30.7 8.5 85 393 A T S S- 0 0 31 -6,-0.6 -2,-0.3 184,-0.0 2,-0.3 -0.796 72.8-141.4-145.6-169.4 6.8 27.8 8.9 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.971 14.1-116.0-157.5 166.4 10.4 26.9 7.7 87 395 A Q - 0 0 95 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.907 24.2-127.8-115.1 137.5 12.4 24.0 6.6 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.618 21.9-120.6 -80.0 137.8 15.4 22.4 8.3 89 397 A K > - 0 0 103 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.406 31.1-109.6 -62.8 151.4 18.7 21.8 6.5 90 398 A D H > S+ 0 0 100 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.912 120.8 52.5 -53.9 -49.5 19.8 18.2 6.5 91 399 A T H > S+ 0 0 80 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.850 113.0 45.1 -53.0 -39.0 22.7 19.0 8.9 92 400 A E H > S+ 0 0 1 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.797 110.0 55.0 -76.5 -35.5 20.1 20.6 11.3 93 401 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.969 112.4 42.4 -60.6 -54.1 17.7 17.7 10.8 94 402 A I H X S+ 0 0 68 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.903 115.5 48.6 -58.9 -49.5 20.3 15.2 11.9 95 403 A Y H X S+ 0 0 28 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.914 111.1 52.3 -58.4 -44.3 21.6 17.3 14.7 96 404 A G H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.909 111.4 45.2 -58.1 -44.1 18.0 17.8 15.9 97 405 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.875 111.7 51.3 -70.7 -39.6 17.3 14.1 16.0 98 406 A K H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.899 113.6 46.3 -63.0 -40.3 20.5 13.1 17.7 99 407 A H H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.818 102.6 60.5 -75.7 -29.9 19.8 15.6 20.3 100 408 A A H < S+ 0 0 0 -4,-1.9 296,-0.5 2,-0.2 4,-0.4 0.921 112.0 43.1 -60.0 -39.7 16.2 14.7 20.9 101 409 A W H >< S+ 0 0 35 -4,-1.6 3,-1.5 2,-0.2 -2,-0.2 0.930 109.8 55.6 -69.7 -46.2 17.6 11.3 21.8 102 410 A R H 3< S+ 0 0 37 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.846 111.9 45.5 -53.1 -33.2 20.4 12.9 23.9 103 411 A N T 3< S+ 0 0 9 -4,-2.3 2,-1.0 291,-0.2 289,-0.3 0.528 77.7 117.6 -90.7 -4.9 17.7 14.7 25.8 104 412 A A X - 0 0 26 -3,-1.5 3,-2.0 -4,-0.4 6,-0.1 -0.448 45.9-168.8 -69.4 98.6 15.3 11.7 26.4 105 413 A S T 3 S+ 0 0 20 -2,-1.0 262,-3.3 1,-0.3 -1,-0.2 0.658 81.3 55.2 -72.5 -9.7 15.5 11.6 30.2 106 414 A R T 3 S+ 0 0 55 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.376 86.1 98.7 -98.6 0.7 13.7 8.2 30.3 107 415 A C X - 0 0 37 -3,-2.0 3,-0.6 -6,-0.2 264,-0.1 -0.844 45.8-175.5-102.0 119.7 16.2 6.5 28.0 108 416 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.613 79.6 68.0 -80.3 -17.0 18.9 4.4 29.6 109 417 A G T > + 0 0 30 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.227 61.5 115.7 -92.3 15.8 20.6 3.7 26.3 110 418 A R G X + 0 0 0 -3,-0.6 3,-2.3 1,-0.3 -1,-0.2 0.566 48.3 86.6 -73.0 -3.6 21.8 7.2 25.6 111 419 A I G 3 S+ 0 0 41 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.791 93.4 53.2 -60.4 -17.3 25.5 6.4 25.6 112 420 A Q G X S+ 0 0 50 -3,-1.7 3,-2.8 1,-0.2 -1,-0.3 0.393 74.5 117.7 -93.5 -2.1 24.8 5.6 22.0 113 421 A W T < S+ 0 0 43 -3,-2.3 -1,-0.2 1,-0.3 -11,-0.2 0.666 70.9 50.7 -49.6 -33.6 23.1 8.9 21.2 114 422 A S T 3 S+ 0 0 59 -3,-0.3 2,-0.9 -4,-0.2 -1,-0.3 0.521 95.2 73.7 -87.8 -5.6 25.6 10.1 18.5 115 423 A K < + 0 0 125 -3,-2.8 2,-0.4 -17,-0.1 34,-0.3 -0.814 68.1 134.2-107.4 87.7 25.5 6.9 16.5 116 424 A L - 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0 0 31 -5,-1.7 2,-1.0 1,-0.1 -1,-0.1 -0.553 50.6 -93.5 -86.1 161.5 26.8 -19.8 38.9 720 617 B D + 0 0 53 -2,-0.2 8,-0.4 1,-0.2 3,-0.2 -0.689 49.8 173.3 -71.2 104.3 28.5 -18.7 35.7 721 618 B M + 0 0 54 -2,-1.0 -1,-0.2 1,-0.2 3,-0.1 0.372 57.9 83.2 -97.2 4.8 30.2 -15.6 37.1 722 619 B R S S+ 0 0 204 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.848 94.3 38.5 -78.3 -37.4 32.2 -14.8 34.0 723 620 B K > - 0 0 93 -3,-0.2 3,-2.1 1,-0.1 5,-0.4 -0.973 67.8-146.5-119.9 127.9 29.4 -12.9 32.1 724 621 B T G > S+ 0 0 62 -2,-0.4 3,-1.8 1,-0.3 5,-0.2 0.752 96.8 72.4 -57.7 -24.5 27.0 -10.5 33.9 725 622 B S G 3 S+ 0 0 12 1,-0.3 -1,-0.3 2,-0.1 -394,-0.1 0.428 78.0 73.7 -76.7 0.6 24.3 -11.7 31.4 726 623 B S G < S- 0 0 22 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.624 102.3-134.7 -78.1 -13.3 24.1 -15.0 33.1 727 624 B L <> + 0 0 0 -3,-1.8 4,-2.2 -4,-0.2 5,-0.2 0.796 51.6 154.2 59.5 32.5 22.2 -13.0 35.7 728 625 B W H > + 0 0 16 -5,-0.4 4,-2.4 -8,-0.4 5,-0.3 0.910 69.8 53.9 -54.1 -39.9 24.3 -14.7 38.4 729 626 B K H > S+ 0 0 63 -5,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 108.6 47.1 -61.8 -44.0 23.7 -11.6 40.6 730 627 B D H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.849 111.3 53.7 -64.5 -35.8 20.0 -11.7 40.2 731 628 B Q H X S+ 0 0 27 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.927 111.8 41.5 -66.5 -49.4 20.0 -15.5 41.0 732 629 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.827 108.6 62.9 -64.3 -33.2 22.0 -15.2 44.2 733 630 B L H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.910 104.4 45.6 -64.0 -43.0 19.9 -12.2 45.2 734 631 B V H X S+ 0 0 5 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.906 111.6 51.1 -63.8 -44.7 16.7 -14.2 45.3 735 632 B E H X S+ 0 0 17 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.909 109.4 51.5 -62.5 -39.7 18.2 -17.1 47.2 736 633 B I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.923 111.3 47.3 -60.3 -46.3 19.6 -14.7 49.9 737 634 B N H X S+ 0 0 2 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.827 109.4 53.2 -68.8 -29.4 16.2 -13.1 50.3 738 635 B I H X S+ 0 0 13 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.914 109.9 50.0 -66.1 -43.7 14.5 -16.5 50.5 739 636 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -89,-0.4 0.917 108.0 52.0 -60.2 -46.2 17.0 -17.3 53.3 740 637 B V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.955 114.7 41.8 -57.8 -48.8 16.3 -14.1 55.2 741 638 B L H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.936 114.1 51.5 -67.1 -47.2 12.5 -14.7 55.2 742 639 B Y H X S+ 0 0 87 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.864 110.6 50.1 -51.2 -42.0 12.9 -18.5 55.9 743 640 B S H X S+ 0 0 0 -4,-2.6 4,-1.4 -93,-0.3 -2,-0.2 0.926 112.0 44.6 -69.2 -45.5 15.1 -17.7 58.9 744 641 B F H <>S+ 0 0 0 -4,-2.0 5,-2.4 -5,-0.2 4,-0.4 0.946 115.7 47.3 -66.0 -50.5 12.9 -15.1 60.5 745 642 B Q H ><5S+ 0 0 82 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.884 110.3 52.8 -55.6 -43.7 9.7 -17.2 60.0 746 643 B S H 3<5S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 114.0 42.9 -66.0 -30.1 11.4 -20.3 61.4 747 644 B D T 3<5S- 0 0 64 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.358 114.0-119.0 -96.2 -0.4 12.4 -18.5 64.5 748 645 B K T < 5 + 0 0 174 -3,-1.0 2,-0.5 -4,-0.4 -3,-0.2 0.872 62.1 145.5 66.0 39.8 9.0 -16.7 64.8 749 646 B V < - 0 0 7 -5,-2.4 -1,-0.2 -6,-0.1 -192,-0.2 -0.927 57.9-103.7-106.8 126.4 10.3 -13.2 64.5 750 647 B T + 0 0 36 -194,-2.8 -59,-0.6 -2,-0.5 2,-0.3 -0.210 56.3 149.2 -52.5 135.2 7.9 -10.9 62.7 751 648 B I E -e 691 0U 23 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.955 30.2-147.2-158.2 158.2 8.9 -10.1 59.1 752 649 B V E -e 692 0U 31 -61,-1.8 -59,-2.6 -2,-0.3 2,-0.1 -0.997 15.5-129.9-134.6 136.5 7.0 -9.3 55.9 753 650 B D > - 0 0 10 -2,-0.4 4,-2.1 -61,-0.2 5,-0.1 -0.296 29.1-111.7 -77.6 167.1 7.9 -10.2 52.3 754 651 B H H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.724 113.3 55.0 -80.0 -18.7 7.9 -7.4 49.7 755 652 B H H > S+ 0 0 12 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.967 113.2 40.0 -70.8 -51.3 4.9 -8.9 47.8 756 653 B S H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.923 115.8 51.6 -68.0 -41.8 2.7 -8.9 50.8 757 654 B A H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.835 112.9 44.9 -62.2 -38.3 3.9 -5.5 52.1 758 655 B T H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.882 110.8 52.1 -74.8 -41.8 3.3 -3.8 48.8 759 656 B E H X S+ 0 0 101 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.908 110.9 50.5 -54.1 -42.4 -0.1 -5.3 48.3 760 657 B S H X S+ 0 0 40 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.912 107.7 52.6 -64.5 -43.8 -1.0 -4.1 51.8 761 658 B F H X S+ 0 0 1 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.848 105.2 54.1 -58.2 -41.9 0.2 -0.6 51.0 762 659 B I H X S+ 0 0 17 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.937 111.0 46.0 -59.5 -48.2 -2.0 -0.4 47.9 763 660 B K H X S+ 0 0 121 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.941 113.9 49.3 -58.6 -43.9 -5.0 -1.3 49.9 764 661 B H H X S+ 0 0 7 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.953 111.4 49.6 -58.6 -49.6 -3.9 1.3 52.6 765 662 B M H X S+ 0 0 1 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.858 110.8 48.4 -59.8 -42.4 -3.4 3.9 50.0 766 663 B E H X S+ 0 0 38 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.949 112.0 49.3 -65.3 -48.2 -6.8 3.3 48.4 767 664 B N H X S+ 0 0 92 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.910 108.6 55.1 -53.1 -43.6 -8.5 3.5 51.8 768 665 B E H X>S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 6,-1.3 0.843 106.6 49.5 -63.4 -37.9 -6.6 6.7 52.5 769 666 B Y H X5S+ 0 0 13 -4,-1.8 4,-1.4 4,-0.3 -1,-0.2 0.943 113.4 46.6 -60.6 -50.8 -7.9 8.4 49.4 770 667 B R H <5S+ 0 0 175 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.941 126.4 28.0 -58.9 -46.7 -11.5 7.4 50.2 771 668 B C H <5S+ 0 0 80 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.688 136.5 22.2 -92.7 -22.9 -11.3 8.5 53.9 772 669 B R H <5S- 0 0 56 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.560 97.5-112.5-124.6 -14.1 -8.7 11.3 53.8 773 670 B G S <> - 0 0 7 -262,-2.8 4,-2.8 -2,-0.3 3,-1.1 -0.820 13.3-166.2-102.1 103.7 7.4 8.6 47.5 779 676 B W H 3> S+ 0 0 17 -2,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.869 85.3 61.9 -57.5 -40.2 7.6 6.1 44.6 780 677 B V H 34 S+ 0 0 17 1,-0.2 -1,-0.3 -336,-0.2 -335,-0.1 0.852 117.4 30.1 -56.0 -36.0 11.4 6.0 44.6 781 678 B W H <4 S+ 0 0 111 -3,-1.1 -1,-0.2 -265,-0.1 -2,-0.2 0.762 115.0 58.7 -95.0 -30.1 11.3 4.7 48.1 782 679 B I H < S+ 0 0 1 -4,-2.8 -2,-0.2 -266,-0.1 -3,-0.2 0.907 88.1 81.5 -71.1 -42.0 8.0 2.7 48.1 783 680 B V S < S- 0 0 15 -4,-2.3 5,-0.1 -5,-0.2 6,-0.1 -0.454 91.5-114.0 -67.2 128.4 9.0 0.4 45.2 784 681 B P - 0 0 7 0, 0.0 -407,-0.2 0, 0.0 4,-0.1 -0.288 17.8-117.4 -69.0 154.9 11.2 -2.5 46.6 785 682 B P S S+ 0 0 13 0, 0.0 -407,-2.5 0, 0.0 -406,-0.4 0.340 97.8 44.4 -80.7 -0.8 14.9 -2.7 45.5 786 683 B M S S+ 0 0 3 -410,-0.2 -411,-0.1 -409,-0.2 -92,-0.1 -0.966 119.0 7.4-132.0 155.1 14.4 -6.1 43.8 787 684 B S S > S+ 0 0 4 -2,-0.3 3,-1.1 1,-0.1 -412,-0.2 0.791 73.5 171.0 53.3 36.0 11.6 -7.4 41.5 788 685 B G G > + 0 0 5 1,-0.2 3,-1.7 -415,-0.2 6,-0.5 0.894 66.6 45.1 -45.6 -59.2 10.1 -3.9 41.3 789 686 B S G 3 S+ 0 0 1 -415,-2.3 -1,-0.2 1,-0.3 -414,-0.1 0.640 101.0 65.3 -73.2 -12.1 7.5 -4.4 38.5 790 687 B I G < S+ 0 0 21 -3,-1.1 -1,-0.3 -416,-0.4 -2,-0.2 0.330 92.0 79.8 -89.6 10.1 6.1 -7.7 39.8 791 688 B T S X> S- 0 0 0 -3,-1.7 3,-1.2 -4,-0.2 4,-0.5 -0.915 88.7-126.6-109.2 143.9 4.8 -5.7 42.8 792 689 B P G >4 S+ 0 0 38 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.730 102.2 67.7 -67.7 -18.5 1.7 -3.6 42.4 793 690 B V G >4 S+ 0 0 0 1,-0.2 3,-1.3 2,-0.2 -10,-0.1 0.800 88.1 65.4 -70.0 -28.3 3.3 -0.4 43.6 794 691 B F G <4 S+ 0 0 31 -3,-1.2 -1,-0.2 -6,-0.5 -5,-0.1 0.877 106.2 44.7 -56.4 -35.3 5.6 -0.1 40.6 795 692 B H G << S+ 0 0 11 -3,-0.6 -378,-2.5 -4,-0.5 2,-0.6 0.400 95.5 98.6 -93.8 -2.3 2.4 0.3 38.5 796 693 B Q B < -R 416 0M 3 -3,-1.3 -380,-0.2 -380,-0.2 2,-0.2 -0.818 68.4-138.7 -93.5 117.6 0.9 2.8 40.9 797 694 B E - 0 0 13 -382,-2.1 2,-0.3 -2,-0.6 -760,-0.1 -0.514 29.2-168.5 -64.0 140.9 1.1 6.6 40.2 798 695 B M - 0 0 1 -2,-0.2 -762,-0.5 -21,-0.1 2,-0.5 -0.893 20.0-142.0-135.6 154.8 1.8 8.5 43.5 799 696 B L - 0 0 0 -24,-0.5 -22,-2.6 -2,-0.3 2,-0.5 -0.992 16.1-156.6-120.7 130.2 1.8 12.0 44.6 800 697 B N B +C 33 0C 34 -767,-1.7 -767,-2.6 -2,-0.5 2,-0.3 -0.935 28.3 140.8-111.7 130.0 4.5 13.1 47.0 801 698 B Y - 0 0 1 -2,-0.5 2,-0.6 -769,-0.2 -285,-0.2 -0.956 47.6-102.6-163.8 163.4 4.0 16.1 49.3 802 699 B R + 0 0 93 -369,-0.5 -370,-1.0 -771,-0.4 -369,-0.5 -0.806 34.3 176.0-110.7 110.4 4.8 17.1 52.8 803 700 B L - 0 0 11 -2,-0.6 -287,-0.1 -289,-0.4 -372,-0.1 -0.817 28.3 -99.5-104.0 147.9 2.2 17.1 55.6 804 701 B T S S+ 0 0 21 -2,-0.3 2,-0.2 2,-0.1 -127,-0.1 -0.874 95.8 59.6-107.4 155.8 2.7 17.8 59.3 805 702 B P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -128,-0.2 0.560 89.5 158.7 -55.1 156.5 3.1 16.2 61.8 806 703 B S E -C 676 0T 9 -130,-2.0 -130,-3.0 -2,-0.2 2,-0.5 -0.997 48.3-116.7-155.6 158.8 6.1 14.7 60.2 807 704 B F E -C 675 0T 31 -296,-0.5 2,-0.3 -2,-0.3 -132,-0.2 -0.880 39.6-172.1 -96.3 125.6 9.5 12.9 60.6 808 705 B E E -C 674 0T 34 -134,-3.4 -134,-2.9 -2,-0.5 2,-0.2 -0.815 24.6-111.3-116.4 157.9 12.4 15.0 59.3 809 706 B Y - 0 0 106 -2,-0.3 -136,-0.1 -136,-0.2 -1,-0.0 -0.487 33.8-172.6 -73.1 153.1 16.0 14.4 58.7 810 707 B Q - 0 0 27 -138,-0.4 -138,-0.0 -2,-0.2 -127,-0.0 -0.975 30.7 -89.6-145.6 155.9 18.5 16.3 60.9 811 708 B P - 0 0 80 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.284 51.8 -89.5 -69.7 158.8 22.2 16.6 60.8 812 709 B D >> - 0 0 58 1,-0.1 3,-2.1 2,-0.1 4,-0.6 -0.454 36.7-130.0 -61.8 131.2 24.4 14.1 62.5 813 710 B P H >> S+ 0 0 3 0, 0.0 4,-3.6 0, 0.0 3,-1.0 0.799 103.5 64.6 -61.8 -31.8 25.0 15.4 66.1 814 711 B W H 34 S+ 0 0 48 1,-0.3 -2,-0.1 2,-0.2 -236,-0.0 0.690 101.3 54.7 -65.0 -17.0 28.8 15.0 66.0 815 712 B N H <4 S+ 0 0 114 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.1 0.748 122.5 23.4 -81.5 -25.4 28.7 17.7 63.3 816 713 B T H << S+ 0 0 83 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.1 0.717 89.5 117.8-111.8 -30.2 26.8 20.3 65.4 817 714 B H < - 0 0 25 -4,-3.6 2,-0.8 -5,-0.2 -245,-0.0 -0.105 56.4-140.7 -54.7 126.9 27.5 19.4 69.0 818 715 B V - 0 0 111 -187,-0.1 2,-0.2 -246,-0.1 -1,-0.1 -0.809 27.8-132.6 -83.3 110.0 29.3 22.0 71.2 819 716 B W - 0 0 113 -2,-0.8 -187,-0.1 1,-0.1 -1,-0.0 -0.473 23.3-172.6 -74.7 133.4 31.6 19.9 73.3 820 717 B K 0 0 120 -2,-0.2 -1,-0.1 1,-0.0 -188,-0.0 0.743 360.0 360.0 -94.8 -27.7 31.7 20.6 77.1 821 718 B G 0 0 127 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.158 360.0 360.0 105.9 360.0 34.7 18.2 77.9