==== 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 4JSJ . 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) . 35372.0 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 . 18 2.2 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 . 1 0.1 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 . 69 8.4 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 . 18 2.2 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 6 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 . 1 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 0 209 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -26.7 20.4 27.8 40.8 2 300 A F - 0 0 134 17,-0.1 2,-0.3 16,-0.0 15,-0.2 -0.967 360.0-153.2-111.6 124.9 23.5 25.5 40.4 3 301 A L E -A 16 0A 40 13,-2.2 13,-4.7 -2,-0.5 2,-0.3 -0.776 10.6-149.0-118.6 140.1 22.6 21.9 41.5 4 302 A K E -A 15 0A 137 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.779 5.9-167.5-106.1 141.5 24.4 18.9 42.8 5 303 A V E -A 14 0A 1 9,-2.8 9,-3.2 -2,-0.3 2,-0.4 -0.985 11.1-158.4-122.2 141.7 23.8 15.2 42.4 6 304 A K E -A 13 0A 57 -2,-0.4 380,-2.2 7,-0.2 2,-0.6 -0.943 16.0-142.2-122.0 137.9 25.4 12.5 44.4 7 305 A N B > -B 385 0B 5 5,-2.7 4,-2.1 -2,-0.4 378,-0.2 -0.916 14.2-159.7 -93.0 118.4 26.0 8.8 43.9 8 306 A W T 4 S+ 0 0 107 376,-2.6 377,-0.1 -2,-0.6 -1,-0.1 0.514 87.1 51.7 -81.2 -7.0 25.5 7.2 47.3 9 307 A E T 4 S+ 0 0 49 375,-0.3 -1,-0.2 372,-0.1 376,-0.1 0.721 126.6 19.9 -94.1 -35.5 27.5 4.0 46.4 10 308 A T T 4 S- 0 0 76 374,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.513 92.8-129.6-114.0 -10.1 30.7 5.7 45.1 11 309 A D < + 0 0 103 -4,-2.1 2,-0.1 1,-0.3 -3,-0.1 0.398 54.1 151.6 67.6 -0.3 30.4 9.2 46.7 12 310 A V - 0 0 64 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.4 -0.428 29.7-159.4 -59.4 127.3 31.0 10.8 43.3 13 311 A V E -A 6 0A 72 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.948 5.5-164.7-113.7 131.0 29.2 14.2 43.2 14 312 A L E -A 5 0A 30 -9,-3.2 -9,-2.8 -2,-0.4 2,-0.5 -0.884 13.5-135.9-116.5 150.8 28.3 16.0 39.9 15 313 A T E -A 4 0A 70 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.915 15.2-151.2-107.9 124.4 27.3 19.6 39.4 16 314 A D E +A 3 0A 0 -13,-4.7 -13,-2.2 -2,-0.5 347,-0.2 -0.843 35.1 148.0-102.0 120.9 24.4 20.3 37.1 17 315 A T > + 0 0 57 345,-2.7 3,-1.7 -2,-0.6 4,-0.2 0.515 60.8 81.8-113.1 -19.2 24.2 23.6 35.2 18 316 A L G > S+ 0 0 8 344,-2.0 3,-2.4 1,-0.3 345,-0.2 0.797 75.3 74.0 -63.5 -27.3 22.4 22.4 32.1 19 317 A H G > S+ 0 0 19 343,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.731 81.3 70.2 -61.5 -23.0 19.0 22.6 33.8 20 318 A L G < S+ 0 0 69 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.643 93.9 56.7 -69.4 -13.7 19.1 26.4 33.4 21 319 A K G < S+ 0 0 155 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.231 83.6 126.8 -93.7 9.3 18.6 25.8 29.7 22 320 A S < + 0 0 19 -3,-2.0 370,-0.2 1,-0.1 419,-0.0 -0.422 31.0 171.2 -69.2 144.3 15.4 23.9 30.6 23 321 A T + 0 0 51 368,-2.4 -1,-0.1 -2,-0.1 369,-0.1 0.778 45.8 59.0-122.9 -67.8 12.4 25.1 28.8 24 322 A L S S- 0 0 47 367,-0.3 367,-0.4 1,-0.1 2,-0.2 -0.032 86.8 -93.9 -64.4 170.2 9.1 23.1 29.0 25 323 A E - 0 0 140 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.616 18.2-148.4 -94.9 152.5 7.4 22.4 32.4 26 324 A T - 0 0 20 413,-3.0 414,-0.1 2,-0.2 413,-0.1 0.716 35.0-119.7 -89.0 -24.5 7.8 19.3 34.6 27 325 A G S S+ 0 0 31 1,-0.4 412,-0.1 412,-0.3 413,-0.1 -0.043 80.4 108.9 97.3 -28.0 4.4 19.0 36.2 28 326 A C - 0 0 4 410,-0.3 -1,-0.4 411,-0.1 2,-0.3 -0.349 46.2-172.3 -74.6 158.9 5.9 19.4 39.7 29 327 A T - 0 0 48 3,-2.6 408,-0.4 -3,-0.1 3,-0.3 -0.871 45.1 -96.1-134.7 175.3 5.6 22.4 42.0 30 328 A E S S+ 0 0 89 -2,-0.3 405,-2.7 1,-0.2 406,-0.3 0.753 127.7 46.7 -64.7 -20.3 7.2 23.4 45.2 31 329 A H S S+ 0 0 96 1,-0.2 771,-0.4 403,-0.2 2,-0.3 0.721 120.3 26.2 -90.3 -24.2 4.0 21.9 46.9 32 330 A I - 0 0 13 -3,-0.3 -3,-2.6 769,-0.1 2,-0.5 -0.982 60.7-144.9-152.4 131.6 3.8 18.6 45.0 33 331 A C B -C 800 0C 10 767,-2.9 767,-2.0 -2,-0.3 3,-0.2 -0.856 11.8-179.6 -98.9 124.7 6.0 16.2 43.2 34 332 A M > + 0 0 24 -2,-0.5 3,-2.3 765,-0.2 -1,-0.1 0.081 39.5 129.1-108.9 19.5 4.6 14.4 40.1 35 333 A G T 3 S+ 0 0 20 1,-0.3 334,-0.2 765,-0.1 -1,-0.2 0.637 73.5 45.7 -43.8 -26.9 7.7 12.4 39.4 36 334 A S T 3 S+ 0 0 18 762,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.345 83.9 108.8-108.4 4.8 5.8 9.1 39.2 37 335 A I < - 0 0 13 -3,-2.3 -3,-0.0 1,-0.1 377,-0.0 -0.669 66.7-139.8 -78.9 132.1 2.9 10.3 36.9 38 336 A M S S+ 0 0 67 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.935 93.4 11.5 -59.2 -47.9 3.2 8.8 33.4 39 337 A L 0 0 104 -3,-0.1 -1,-0.3 -12,-0.0 -12,-0.1 -0.846 360.0 360.0-133.0 101.7 2.0 12.1 31.8 40 338 A P 0 0 69 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.404 360.0 360.0 -75.5 360.0 1.9 15.2 34.1 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,-1.9 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 171.7 1.6 30.9 15.6 43 351 A K H > + 0 0 81 1,-0.2 4,-1.4 2,-0.2 38,-0.0 0.868 360.0 49.7 -56.3 -41.4 4.1 33.0 13.7 44 352 A D H 4 S+ 0 0 135 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.794 110.5 50.3 -69.9 -32.3 5.0 34.7 17.0 45 353 A Q H > S+ 0 0 126 1,-0.1 4,-1.0 2,-0.1 -2,-0.2 0.884 108.5 53.5 -72.0 -37.0 5.4 31.4 18.8 46 354 A L H X S+ 0 0 17 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.865 94.9 59.6 -76.5 -43.4 7.7 30.0 16.1 47 355 A F H X S+ 0 0 48 -4,-1.4 4,-2.9 1,-0.2 5,-0.2 0.894 105.6 48.5 -61.0 -41.2 10.6 32.4 15.7 48 356 A P H > S+ 0 0 76 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.936 114.0 48.6 -58.0 -43.2 11.9 32.3 19.3 49 357 A L H X S+ 0 0 52 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.912 112.7 48.1 -62.0 -42.1 11.7 28.6 19.1 50 358 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.933 113.2 47.3 -61.4 -48.8 13.6 28.7 15.8 51 359 A K H X S+ 0 0 89 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.892 108.3 54.2 -61.8 -45.3 16.3 31.1 17.1 52 360 A E H X S+ 0 0 71 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.921 113.0 44.6 -57.1 -44.3 16.9 29.1 20.3 53 361 A F H X S+ 0 0 5 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.943 113.0 47.5 -66.1 -47.5 17.5 26.0 18.2 54 362 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.878 109.1 56.6 -66.7 -35.4 19.8 27.6 15.6 55 363 A D H X S+ 0 0 28 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.946 110.2 43.4 -55.8 -51.3 21.8 29.3 18.4 56 364 A Q H X S+ 0 0 53 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.930 115.3 50.5 -65.2 -39.7 22.4 25.8 19.9 57 365 A Y H X S+ 0 0 24 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.955 113.5 42.8 -58.1 -54.0 23.2 24.3 16.5 58 366 A Y H <>S+ 0 0 28 -4,-3.4 5,-3.2 1,-0.2 6,-0.4 0.852 112.7 53.9 -65.9 -33.2 25.7 27.1 15.5 59 367 A S H ><5S+ 0 0 67 -4,-2.3 3,-1.5 -5,-0.3 -1,-0.2 0.903 104.9 55.8 -62.7 -39.8 27.2 27.0 19.0 60 368 A S H 3<5S+ 0 0 59 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.784 108.3 45.6 -68.2 -28.1 27.7 23.2 18.6 61 369 A I T 3<5S- 0 0 70 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.179 119.5-110.4 -96.9 18.5 29.8 23.6 15.3 62 370 A K T < 5S+ 0 0 190 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.855 90.8 109.4 54.0 44.7 31.8 26.4 16.9 63 371 A R > < + 0 0 147 -5,-3.2 3,-1.7 -6,-0.1 6,-0.4 0.022 34.9 151.7-133.4 28.1 30.3 29.2 14.7 64 372 A F T 3 S+ 0 0 125 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.427 75.0 10.0 -64.2 129.1 28.1 31.1 17.2 65 373 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.626 97.0 135.5 75.5 14.4 27.7 34.7 16.1 66 374 A S S <> S- 0 0 32 -3,-1.7 4,-2.8 1,-0.1 -1,-0.2 -0.444 72.5-105.3 -84.3 165.6 29.3 34.2 12.7 67 375 A K H > S+ 0 0 150 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.913 123.5 54.6 -56.8 -43.7 28.0 35.6 9.4 68 376 A A H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 110.4 47.1 -57.2 -41.9 26.7 32.1 8.5 69 377 A H H > S+ 0 0 2 -6,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.976 115.4 43.8 -58.6 -56.9 24.8 32.0 11.8 70 378 A M H X S+ 0 0 90 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.841 113.3 53.1 -62.4 -34.5 23.4 35.5 11.4 71 379 A D H X S+ 0 0 79 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.910 108.5 48.3 -64.8 -46.6 22.5 34.8 7.7 72 380 A R H X S+ 0 0 9 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.889 108.7 53.9 -63.6 -39.9 20.6 31.6 8.6 73 381 A L H X S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.916 110.7 46.3 -63.6 -42.0 18.6 33.3 11.3 74 382 A E H X S+ 0 0 98 -4,-1.8 4,-3.2 2,-0.2 -1,-0.2 0.919 111.3 52.4 -63.3 -44.2 17.5 36.0 8.9 75 383 A E H X S+ 0 0 90 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.889 113.3 43.0 -59.8 -45.5 16.6 33.4 6.2 76 384 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.910 114.0 51.6 -68.0 -44.8 14.4 31.5 8.6 77 385 A N H X S+ 0 0 46 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.919 111.4 48.3 -53.3 -45.4 12.9 34.7 9.9 78 386 A K H X S+ 0 0 140 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.870 112.7 48.1 -64.2 -36.8 12.2 35.7 6.3 79 387 A E H X>S+ 0 0 49 -4,-1.9 4,-3.6 2,-0.2 5,-0.6 0.841 112.2 47.6 -74.8 -36.1 10.6 32.3 5.6 80 388 A I H X5S+ 0 0 4 -4,-2.5 4,-1.4 3,-0.2 -2,-0.2 0.916 111.3 50.5 -71.1 -46.7 8.4 32.3 8.7 81 389 A E H <5S+ 0 0 129 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.815 123.9 32.7 -56.2 -32.3 7.2 35.8 8.1 82 390 A S H <5S+ 0 0 97 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.923 134.2 21.1 -92.9 -55.3 6.4 34.7 4.5 83 391 A T H <5S- 0 0 74 -4,-3.6 -3,-0.2 2,-0.3 -2,-0.1 0.672 93.3-124.6 -93.8 -20.2 5.3 31.1 4.7 84 392 A S S < - 0 0 95 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.491 32.1-110.2 -66.9 152.0 18.7 22.0 6.5 90 398 A D H > S+ 0 0 100 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 121.5 54.2 -51.0 -43.9 19.7 18.3 6.5 91 399 A T H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 110.3 45.1 -59.0 -47.5 22.5 19.1 8.9 92 400 A E H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.856 111.5 53.4 -63.5 -41.0 20.0 20.8 11.3 93 401 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.940 111.5 44.5 -60.0 -48.4 17.6 17.9 11.0 94 402 A I H X S+ 0 0 68 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.921 115.6 47.0 -62.6 -47.4 20.2 15.3 11.9 95 403 A Y H X S+ 0 0 29 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.908 112.8 51.7 -57.2 -46.1 21.6 17.4 14.8 96 404 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.929 111.4 44.9 -59.0 -51.6 17.9 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 0.907 112.2 51.5 -61.3 -43.3 17.1 14.2 15.9 98 406 A K H X S+ 0 0 55 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.908 113.3 46.8 -61.6 -38.4 20.3 13.2 17.6 99 407 A H H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.838 103.1 59.5 -76.4 -33.2 19.6 15.8 20.3 100 408 A A H < S+ 0 0 0 -4,-2.4 296,-0.5 2,-0.2 4,-0.3 0.935 112.2 42.6 -56.9 -43.5 16.0 14.8 20.9 101 409 A W H >< S+ 0 0 35 -4,-1.8 3,-1.9 1,-0.2 -2,-0.2 0.958 111.4 54.6 -66.4 -46.8 17.4 11.3 21.8 102 410 A R H 3< S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.833 111.7 46.6 -50.7 -36.5 20.3 12.9 23.9 103 411 A N T 3< S+ 0 0 10 -4,-2.4 2,-1.2 291,-0.2 289,-0.4 0.408 77.4 118.0 -89.5 -0.9 17.5 14.8 25.8 104 412 A A X - 0 0 26 -3,-1.9 3,-2.1 -4,-0.3 6,-0.1 -0.533 44.9-170.1 -73.7 96.7 15.2 11.8 26.4 105 413 A S T 3 S+ 0 0 21 -2,-1.2 262,-2.9 1,-0.3 -1,-0.2 0.681 81.5 54.9 -67.2 -17.5 15.3 11.7 30.2 106 414 A R T 3 S+ 0 0 50 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.401 87.4 98.0 -92.8 1.0 13.5 8.4 30.4 107 415 A C X - 0 0 38 -3,-2.1 3,-0.7 -6,-0.2 264,-0.1 -0.824 47.2-173.9-101.9 118.3 16.0 6.6 28.1 108 416 A V T 3 S+ 0 0 23 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.582 79.8 65.9 -76.5 -14.7 18.8 4.5 29.7 109 417 A G T > + 0 0 27 1,-0.2 3,-1.7 2,-0.1 -1,-0.2 0.184 60.3 117.3 -98.2 24.6 20.5 3.8 26.3 110 418 A R G X + 0 0 0 -3,-0.7 3,-3.0 1,-0.3 4,-0.2 0.620 49.7 86.7 -75.4 -8.9 21.6 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 0.823 93.0 54.0 -53.1 -24.2 25.4 6.6 25.6 112 420 A Q G X S+ 0 0 47 -3,-1.7 3,-2.4 1,-0.2 -1,-0.3 0.412 74.6 114.3 -85.7 3.3 24.6 5.7 22.0 113 421 A W T < S+ 0 0 39 -3,-3.0 -1,-0.2 1,-0.3 -11,-0.2 0.747 72.2 51.1 -60.7 -31.7 23.0 9.0 21.1 114 422 A S T 3 S+ 0 0 59 -3,-0.4 2,-1.0 -4,-0.2 -1,-0.3 0.607 97.2 71.5 -81.7 -10.2 25.5 10.2 18.5 115 423 A K < + 0 0 114 -3,-2.4 2,-0.4 -17,-0.1 34,-0.3 -0.767 68.0 132.2-102.6 82.3 25.4 7.0 16.5 116 424 A L - 0 0 17 -2,-1.0 2,-0.5 32,-0.1 34,-0.2 -0.988 50.3-143.0-134.3 123.8 21.9 7.5 15.0 117 425 A Q E -d 150 0D 76 32,-1.9 34,-2.3 -2,-0.4 2,-0.5 -0.793 20.1-155.3 -88.5 124.8 21.2 6.9 11.4 118 426 A V E -d 151 0D 19 -2,-0.5 2,-0.7 32,-0.2 34,-0.2 -0.919 5.3-159.9-107.9 121.7 18.7 9.6 10.3 119 427 A F E -d 152 0D 52 32,-3.2 34,-2.8 -2,-0.5 2,-0.9 -0.922 12.6-144.9-103.0 117.2 16.5 8.8 7.3 120 428 A D E +d 153 0D 56 -2,-0.7 3,-0.2 32,-0.2 34,-0.1 -0.724 29.4 164.5 -84.9 106.1 15.0 12.0 5.8 121 429 A A > + 0 0 0 32,-2.0 3,-1.6 -2,-0.9 -1,-0.1 -0.056 33.2 121.5-109.8 30.4 11.6 11.1 4.6 122 430 A R T 3 + 0 0 44 1,-0.3 -1,-0.1 32,-0.2 32,-0.1 0.658 69.4 62.4 -69.3 -9.2 10.3 14.7 4.2 123 431 A D T 3 S+ 0 0 117 -3,-0.2 -1,-0.3 32,-0.1 2,-0.1 0.387 78.7 118.9 -92.4 3.1 9.7 14.1 0.5 124 432 A C < + 0 0 9 -3,-1.6 3,-0.1 1,-0.1 -3,-0.0 -0.439 31.0 167.5 -75.1 143.3 7.1 11.4 1.3 125 433 A T + 0 0 101 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.577 52.9 39.7-130.4 -17.8 3.5 11.9 0.1 126 434 A T S > S- 0 0 72 1,-0.1 4,-2.0 91,-0.1 -1,-0.1 -0.859 76.4-109.9-133.9 170.7 1.4 8.7 0.4 127 435 A A H > S+ 0 0 3 -2,-0.3 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2,-0.3 0, 0.0 -128,-0.2 0.600 89.2 162.2 -55.2 152.3 2.9 16.4 61.9 806 703 B S E -C 676 0T 6 -130,-1.9 -130,-3.1 -2,-0.2 2,-0.4 -0.964 46.7-123.3-147.2 157.1 6.1 14.9 60.2 807 704 B F E -C 675 0T 27 -296,-0.5 2,-0.3 -2,-0.3 -132,-0.2 -0.934 37.9-177.3 -95.6 138.9 9.3 13.1 60.6 808 705 B E E -C 674 0T 32 -134,-2.8 -134,-2.9 -2,-0.4 2,-0.1 -0.880 27.4-109.7-135.1 156.8 12.3 15.0 59.3 809 706 B Y - 0 0 95 -2,-0.3 -136,-0.1 -136,-0.2 -361,-0.0 -0.430 33.4-168.1 -74.9 161.9 16.0 14.4 58.9 810 707 B Q - 0 0 25 -138,-0.4 -138,-0.0 -2,-0.1 -127,-0.0 -0.973 31.9 -84.4-147.2 156.2 18.4 16.4 61.0 811 708 B P - 0 0 83 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.270 54.9 -92.3 -61.0 151.2 22.1 16.9 60.9 812 709 B D >> - 0 0 58 1,-0.1 3,-1.6 2,-0.1 4,-0.7 -0.409 35.6-129.1 -58.9 136.5 24.3 14.3 62.5 813 710 B P H >> S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 3,-0.7 0.799 103.8 65.2 -70.6 -26.1 25.0 15.5 66.1 814 711 B W H 34 S+ 0 0 51 1,-0.2 -2,-0.1 2,-0.2 -236,-0.0 0.755 100.9 53.8 -63.7 -21.9 28.7 15.1 65.9 815 712 B N H <4 S+ 0 0 118 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.1 0.756 122.2 24.8 -79.8 -25.3 28.7 17.9 63.3 816 713 B T H << S+ 0 0 84 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.1 0.657 87.8 115.8-114.5 -25.7 26.8 20.4 65.4 817 714 B H < - 0 0 25 -4,-2.9 2,-0.7 -5,-0.2 -245,-0.0 -0.226 56.8-140.0 -57.8 134.2 27.4 19.5 69.1 818 715 B V - 0 0 117 -187,-0.2 2,-0.4 -246,-0.1 -1,-0.1 -0.882 24.9-134.4 -92.9 115.4 29.2 22.1 71.2 819 716 B W - 0 0 114 -2,-0.7 -187,-0.1 1,-0.2 -2,-0.0 -0.603 22.5-173.7 -79.4 124.1 31.5 20.0 73.4 820 717 B K 0 0 121 -2,-0.4 -1,-0.2 1,-0.0 -188,-0.0 0.871 360.0 360.0 -80.8 -40.6 31.5 21.0 77.1 821 718 B G 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.035 360.0 360.0 117.9 360.0 34.3 18.5 78.0