==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 01-NOV-11 3UFV . 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) . 34789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 67.1 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 . 85 10.4 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 . 87 10.6 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 . 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 6 2 0 2 0 1 1 0 0 2 0 0 2 2 2 3 1 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 . 8 6 9 3 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 0 208 0, 0.0 2,-0.4 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -29.2 19.9 27.0 40.4 2 300 A F - 0 0 139 17,-0.1 2,-0.2 16,-0.0 15,-0.2 -0.900 360.0-166.0-124.8 102.5 23.4 25.3 40.7 3 301 A L E -A 16 0A 34 13,-1.5 13,-3.9 -2,-0.4 2,-0.4 -0.596 18.1-148.5-108.2 149.2 22.6 21.8 41.7 4 302 A K E -A 15 0A 126 11,-0.2 2,-0.4 -2,-0.2 11,-0.2 -0.917 5.8-166.3-113.0 134.6 24.4 18.7 43.0 5 303 A V E -A 14 0A 0 9,-2.9 9,-3.0 -2,-0.4 2,-0.4 -0.961 11.4-160.3-113.6 142.7 23.7 15.1 42.4 6 304 A K E -A 13 0A 56 -2,-0.4 380,-2.2 7,-0.2 2,-0.6 -0.917 16.3-142.0-119.9 141.5 25.3 12.4 44.6 7 305 A N B > -B 385 0B 3 5,-2.5 4,-2.3 -2,-0.4 378,-0.2 -0.941 13.7-158.1 -97.7 122.6 25.8 8.7 44.0 8 306 A W T 4 S+ 0 0 86 376,-2.7 377,-0.1 -2,-0.6 -1,-0.1 0.544 88.8 51.3 -82.5 -9.3 25.3 7.1 47.4 9 307 A E T 4 S+ 0 0 43 375,-0.2 -1,-0.2 372,-0.2 376,-0.1 0.786 126.2 21.7 -87.2 -38.5 27.3 3.9 46.5 10 308 A T T 4 S- 0 0 76 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.561 91.4-130.4-110.7 -13.6 30.4 5.8 45.3 11 309 A D < + 0 0 108 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.432 53.8 152.8 67.5 1.3 30.1 9.2 47.0 12 310 A V - 0 0 56 -5,-0.2 -5,-2.5 -6,-0.1 2,-0.5 -0.439 29.6-158.6 -59.3 126.1 30.8 10.8 43.5 13 311 A V E -A 6 0A 81 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.963 6.9-168.0-114.5 122.8 29.2 14.3 43.5 14 312 A L E -A 5 0A 28 -9,-3.0 -9,-2.9 -2,-0.5 2,-0.5 -0.865 14.3-137.1-111.3 146.0 28.3 16.0 40.1 15 313 A T E -A 4 0A 64 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.2 -0.890 13.6-148.0-103.8 126.6 27.3 19.6 39.6 16 314 A D E +A 3 0A 0 -13,-3.9 -13,-1.5 -2,-0.5 347,-0.2 -0.840 35.8 150.0 -99.7 118.6 24.4 20.4 37.2 17 315 A T > + 0 0 54 345,-3.1 3,-1.4 -2,-0.7 4,-0.2 0.497 63.0 79.4-108.9 -14.4 24.6 23.6 35.3 18 316 A L G > S+ 0 0 18 344,-2.1 3,-1.9 1,-0.3 345,-0.2 0.764 75.2 73.6 -72.2 -23.3 22.7 22.3 32.3 19 317 A H G > S+ 0 0 19 343,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.700 80.4 74.2 -63.9 -19.1 19.2 22.6 33.9 20 318 A L G < S+ 0 0 66 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.736 93.2 53.6 -63.4 -24.3 19.5 26.4 33.5 21 319 A K G < S+ 0 0 159 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.359 82.6 131.7 -90.0 2.5 18.8 25.8 29.8 22 320 A S < + 0 0 17 -3,-1.8 370,-0.2 1,-0.1 419,-0.1 -0.256 27.9 170.5 -55.4 141.0 15.7 23.9 30.8 23 321 A T + 0 0 52 368,-2.5 369,-0.2 417,-0.1 -1,-0.1 0.722 45.5 57.0-122.9 -68.0 12.8 25.0 28.8 24 322 A L S S- 0 0 42 367,-0.6 367,-0.4 1,-0.1 2,-0.3 -0.020 85.0-101.1 -63.4 170.8 9.5 23.1 29.1 25 323 A E - 0 0 129 365,-0.1 415,-0.2 1,-0.1 414,-0.1 -0.699 19.0-144.4-101.3 153.2 7.7 22.5 32.5 26 324 A T - 0 0 14 413,-2.8 414,-0.1 -2,-0.3 413,-0.1 0.718 35.3-112.2 -89.8 -25.6 7.9 19.2 34.5 27 325 A G S S+ 0 0 32 1,-0.4 2,-0.1 412,-0.3 412,-0.1 -0.054 85.0 109.3 102.1 -28.4 4.5 18.7 36.1 28 326 A C - 0 0 5 410,-0.3 -1,-0.4 411,-0.1 2,-0.2 -0.431 44.9-175.0 -81.7 155.5 6.0 19.3 39.5 29 327 A T - 0 0 44 3,-2.2 408,-0.4 -2,-0.1 406,-0.1 -0.788 46.7 -94.2-128.9-177.9 5.6 22.3 41.8 30 328 A E S S+ 0 0 74 -2,-0.2 405,-3.1 1,-0.2 406,-0.2 0.737 127.3 41.9 -67.4 -21.1 7.1 23.4 45.1 31 329 A H S S+ 0 0 80 1,-0.2 771,-0.4 403,-0.2 2,-0.4 0.757 119.4 32.2 -96.7 -27.7 4.0 21.7 46.8 32 330 A I - 0 0 12 769,-0.1 -3,-2.2 -5,-0.1 2,-0.5 -0.978 62.0-148.7-140.6 121.7 3.6 18.4 44.8 33 331 A C B -C 800 0C 11 767,-3.1 767,-1.8 -2,-0.4 3,-0.2 -0.798 11.6-178.0 -86.5 129.4 6.1 16.1 43.1 34 332 A M > + 0 0 33 -2,-0.5 3,-2.2 765,-0.2 -1,-0.1 0.044 38.1 130.0-113.5 24.4 4.6 14.4 40.0 35 333 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.1 765,-0.1 334,-0.1 0.701 72.5 49.3 -45.9 -31.2 7.7 12.3 39.3 36 334 A S T 3 S+ 0 0 16 762,-0.4 2,-0.3 -3,-0.2 -1,-0.3 0.442 81.3 111.0 -99.5 2.3 5.7 9.1 39.0 37 335 A I < - 0 0 15 -3,-2.2 -3,-0.1 1,-0.1 377,-0.0 -0.616 59.2-149.3 -76.6 128.0 3.0 10.3 36.6 38 336 A M S S+ 0 0 63 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.889 93.7 27.1 -61.6 -43.8 3.3 8.7 33.2 39 337 A L 0 0 97 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 -0.803 360.0 360.0-120.5 83.6 1.8 11.8 31.4 40 338 A P 0 0 93 0, 0.0 -13,-0.2 0, 0.0 -1,-0.1 0.959 360.0 360.0 -85.5 360.0 2.5 14.9 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 0 117 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 160.3 1.8 31.0 15.0 43 351 A K H > + 0 0 82 1,-0.2 4,-1.3 2,-0.2 38,-0.1 0.701 360.0 67.5 -62.5 -27.1 4.8 33.1 13.6 44 352 A D H 4 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.950 109.0 31.5 -59.7 -56.1 5.2 34.8 17.0 45 353 A Q H > S+ 0 0 108 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.771 110.4 69.1 -78.2 -27.3 6.4 31.8 19.0 46 354 A L H X S+ 0 0 18 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.884 93.8 52.9 -65.0 -43.0 8.1 30.1 16.1 47 355 A F H X S+ 0 0 48 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.935 108.1 48.8 -63.9 -46.4 11.0 32.5 15.6 48 356 A P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.926 113.3 49.9 -54.1 -43.8 12.2 32.4 19.3 49 357 A L H X S+ 0 0 56 -4,-1.7 4,-1.8 1,-0.2 219,-0.2 0.939 112.8 46.1 -59.6 -46.6 12.1 28.6 19.1 50 358 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.907 112.9 49.4 -62.6 -43.6 14.1 28.5 15.8 51 359 A K H X S+ 0 0 87 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.930 107.8 53.2 -63.4 -48.2 16.7 31.0 17.1 52 360 A E H X S+ 0 0 64 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.906 114.4 44.1 -50.5 -46.2 17.2 29.1 20.4 53 361 A F H X S+ 0 0 5 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.964 113.3 47.5 -66.2 -50.3 17.8 26.0 18.2 54 362 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.852 109.0 56.4 -63.8 -36.9 20.1 27.6 15.6 55 363 A D H X S+ 0 0 29 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.940 110.5 43.2 -54.7 -53.0 22.2 29.2 18.3 56 364 A Q H X S+ 0 0 51 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.929 114.2 52.4 -67.6 -34.7 22.9 25.8 19.9 57 365 A Y H X S+ 0 0 19 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.962 112.3 43.1 -58.6 -53.2 23.5 24.3 16.5 58 366 A Y H <>S+ 0 0 25 -4,-3.3 5,-3.3 1,-0.2 6,-0.3 0.820 113.3 53.0 -67.1 -32.7 26.1 27.0 15.5 59 367 A S H ><5S+ 0 0 65 -4,-2.4 3,-1.8 -5,-0.2 -1,-0.2 0.926 105.1 54.8 -61.9 -46.6 27.6 26.8 18.9 60 368 A S H 3<5S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.875 111.4 44.7 -58.3 -36.3 28.0 23.0 18.5 61 369 A I T 3<5S- 0 0 70 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.320 117.5-115.8 -89.6 9.8 29.9 23.5 15.2 62 370 A K T < 5S+ 0 0 178 -3,-1.8 -3,-0.2 -5,-0.2 -2,-0.1 0.820 87.9 109.8 61.7 38.5 32.0 26.3 16.8 63 371 A R > < + 0 0 139 -5,-3.3 3,-1.7 -6,-0.1 6,-0.4 -0.153 38.8 155.2-128.0 34.2 30.7 29.1 14.6 64 372 A F T 3 S+ 0 0 124 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.475 74.6 7.1 -68.2 130.2 28.6 30.9 17.2 65 373 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -2,-0.2 -10,-0.0 0.508 100.7 139.2 75.6 3.7 28.1 34.6 16.3 66 374 A S S <> S- 0 0 33 -3,-1.7 4,-2.6 1,-0.1 -1,-0.2 -0.228 70.7-106.9 -71.5 166.4 29.8 33.9 12.9 67 375 A K H > S+ 0 0 149 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.939 122.7 53.7 -56.6 -48.0 28.6 35.4 9.6 68 376 A A H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 110.0 48.7 -54.7 -46.2 27.3 32.0 8.6 69 377 A H H > S+ 0 0 1 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.964 114.1 44.6 -52.6 -57.5 25.3 31.9 11.9 70 378 A M H X S+ 0 0 86 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.919 112.4 51.9 -58.2 -47.0 23.9 35.4 11.4 71 379 A D H X S+ 0 0 80 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.883 111.2 47.0 -58.9 -43.1 23.0 34.8 7.7 72 380 A R H X S+ 0 0 8 -4,-2.2 4,-3.1 -5,-0.3 5,-0.2 0.902 110.2 52.1 -66.8 -40.4 21.1 31.6 8.5 73 381 A L H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.926 113.5 45.1 -61.8 -44.6 19.2 33.3 11.4 74 382 A E H X S+ 0 0 100 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.906 112.1 52.5 -61.8 -43.9 18.2 36.0 8.9 75 383 A E H X S+ 0 0 92 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.938 112.8 44.2 -56.5 -49.7 17.4 33.4 6.3 76 384 A V H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.893 110.8 54.4 -66.0 -43.5 15.1 31.6 8.7 77 385 A N H X S+ 0 0 46 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.920 109.0 47.9 -53.7 -46.4 13.5 34.7 9.9 78 386 A K H X S+ 0 0 139 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.884 110.2 53.2 -65.2 -37.0 12.6 35.8 6.4 79 387 A E H X S+ 0 0 49 -4,-1.8 4,-3.6 2,-0.2 6,-0.6 0.876 109.2 47.5 -67.9 -40.5 11.2 32.4 5.7 80 388 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 3,-0.2 -2,-0.2 0.962 114.1 45.4 -64.9 -54.5 8.8 32.4 8.7 81 389 A E H < S+ 0 0 128 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.867 124.9 35.4 -55.6 -38.9 7.5 35.9 8.1 82 390 A S H < S+ 0 0 101 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.901 136.0 19.4 -83.7 -45.2 7.0 35.1 4.4 83 391 A T H < S- 0 0 71 -4,-3.6 -3,-0.2 2,-0.3 -2,-0.2 0.489 94.1-125.2-107.6 -9.1 6.0 31.4 4.5 84 392 A S S < S+ 0 0 65 -4,-2.8 2,-0.2 -5,-0.4 -4,-0.2 0.279 88.6 36.3 77.4 -8.8 4.8 31.0 8.2 85 393 A T S S- 0 0 32 -6,-0.6 -2,-0.3 184,-0.0 2,-0.3 -0.829 75.3-136.6-146.4-171.3 7.2 28.1 8.8 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.968 12.1-117.1-149.0 168.6 10.8 27.1 7.7 87 395 A Q - 0 0 94 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.898 24.3-130.4-109.5 137.1 12.8 24.2 6.5 88 396 A L - 0 0 7 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.635 23.5-119.6 -77.6 140.2 15.8 22.6 8.3 89 397 A K > - 0 0 96 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.411 33.4-106.2 -65.7 155.6 19.1 22.1 6.4 90 398 A D H > S+ 0 0 100 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.872 122.4 52.3 -54.0 -40.3 20.1 18.4 6.4 91 399 A T H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.877 108.8 49.9 -67.3 -35.1 22.9 19.1 8.9 92 400 A E H > S+ 0 0 1 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.896 110.5 50.0 -69.7 -41.3 20.4 20.8 11.2 93 401 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.913 111.5 47.2 -60.0 -48.8 18.0 17.9 11.0 94 402 A I H X S+ 0 0 69 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.947 115.3 46.6 -59.2 -51.0 20.7 15.3 11.8 95 403 A Y H X S+ 0 0 30 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.873 113.4 49.7 -56.3 -40.4 21.9 17.4 14.7 96 404 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.888 110.2 48.3 -72.3 -40.6 18.4 17.9 16.0 97 405 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.897 111.2 49.9 -68.0 -41.2 17.4 14.3 15.9 98 406 A K H X S+ 0 0 56 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.916 112.1 49.8 -62.5 -40.3 20.6 13.1 17.7 99 407 A H H X S+ 0 0 13 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.816 102.6 58.4 -72.8 -28.4 19.9 15.8 20.4 100 408 A A H < S+ 0 0 0 -4,-1.8 296,-0.5 2,-0.2 4,-0.4 0.896 112.0 43.1 -66.4 -35.6 16.3 14.8 20.9 101 409 A W H >< S+ 0 0 35 -4,-1.5 3,-1.2 2,-0.2 -2,-0.2 0.914 111.0 53.7 -71.4 -41.8 17.7 11.4 21.8 102 410 A R H 3< S+ 0 0 37 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 113.2 46.3 -60.1 -29.6 20.5 12.9 23.8 103 411 A N T 3< S+ 0 0 9 -4,-2.1 2,-1.2 291,-0.2 289,-0.4 0.482 77.5 117.0 -92.6 -7.6 17.7 14.8 25.7 104 412 A A X - 0 0 26 -3,-1.2 3,-2.4 -4,-0.4 6,-0.2 -0.477 47.1-167.2 -70.1 96.0 15.4 11.9 26.3 105 413 A S T 3 S+ 0 0 20 -2,-1.2 262,-2.9 1,-0.3 -1,-0.2 0.683 81.9 54.2 -67.0 -15.7 15.4 11.7 30.1 106 414 A R T 3 S+ 0 0 80 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.325 85.8 101.4 -97.2 5.1 13.7 8.3 30.2 107 415 A C X - 0 0 38 -3,-2.4 3,-0.7 -6,-0.2 264,-0.1 -0.853 44.8-176.1-101.9 118.6 16.2 6.6 28.0 108 416 A V T 3 S+ 0 0 26 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.635 80.1 65.7 -78.9 -16.8 18.9 4.4 29.6 109 417 A G T > + 0 0 28 1,-0.2 3,-1.9 2,-0.1 -1,-0.2 0.268 61.8 118.3 -94.8 15.2 20.6 3.7 26.3 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.0 1,-0.3 4,-0.2 0.537 49.6 85.8 -65.6 -5.2 21.8 7.3 25.5 111 419 A I G 3 S+ 0 0 51 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.812 93.6 52.2 -60.2 -21.1 25.5 6.5 25.6 112 420 A Q G X S+ 0 0 52 -3,-1.9 3,-2.8 1,-0.2 -1,-0.3 0.447 75.5 115.2 -89.9 -2.9 24.8 5.7 21.9 113 421 A W T < S+ 0 0 40 -3,-2.0 -1,-0.2 1,-0.3 -11,-0.2 0.687 73.1 50.3 -52.1 -33.2 23.1 9.0 21.1 114 422 A S T 3 S+ 0 0 55 -3,-0.3 2,-1.1 -4,-0.2 -1,-0.3 0.648 96.5 72.7 -82.4 -14.4 25.6 10.2 18.6 115 423 A K < + 0 0 125 -3,-2.8 2,-0.4 -17,-0.1 34,-0.3 -0.753 69.2 132.8-100.4 80.9 25.6 7.0 16.6 116 424 A L - 0 0 19 -2,-1.1 2,-0.6 32,-0.1 34,-0.2 -0.988 50.8-141.4-135.5 125.7 22.2 7.4 15.0 117 425 A Q E -d 150 0D 76 32,-2.1 34,-2.3 -2,-0.4 2,-0.5 -0.765 20.7-156.4 -86.1 122.4 21.4 6.9 11.3 118 426 A V E -d 151 0D 19 -2,-0.6 2,-0.6 32,-0.2 34,-0.2 -0.899 4.9-159.8-105.0 125.9 18.9 9.6 10.2 119 427 A F E -d 152 0D 55 32,-3.7 34,-2.7 -2,-0.5 2,-0.9 -0.928 11.8-145.8-106.0 118.5 16.7 9.0 7.2 120 428 A D E +d 153 0D 53 -2,-0.6 3,-0.2 32,-0.2 34,-0.1 -0.693 30.4 162.5 -86.2 104.3 15.3 12.1 5.8 121 429 A A > + 0 0 0 32,-2.3 3,-1.8 -2,-0.9 -1,-0.1 -0.030 34.7 118.7-109.8 28.8 11.9 11.3 4.5 122 430 A R T 3 S+ 0 0 40 32,-0.3 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-130,-3.5 -2,-0.2 2,-0.5 -0.991 44.8-127.5-148.5 154.9 5.9 14.7 60.1 807 704 B F E -B 675 0S 30 -296,-0.5 2,-0.3 -2,-0.3 -132,-0.2 -0.909 36.3-172.9 -95.6 132.0 9.2 12.9 60.5 808 705 B E E -B 674 0S 38 -134,-2.8 -134,-2.9 -2,-0.5 2,-0.2 -0.885 27.4-110.9-124.7 155.7 12.2 14.8 59.1 809 706 B Y E -B 673 0S 121 -2,-0.3 -136,-0.1 -136,-0.2 -361,-0.0 -0.532 36.1-167.4 -72.8 142.3 15.8 14.0 58.5 810 707 B Q - 0 0 8 -138,-0.5 2,-0.0 -2,-0.2 -138,-0.0 -0.956 31.2 -87.8-128.8 156.9 18.1 16.0 60.8 811 708 B P - 0 0 71 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.392 52.6 -94.3 -61.9 138.1 21.9 16.4 60.6 812 709 B D >> - 0 0 32 1,-0.1 3,-1.3 2,-0.1 4,-0.6 -0.269 38.2-127.6 -39.1 128.7 24.0 13.8 62.4 813 710 B P H >> S+ 0 0 2 0, 0.0 4,-3.3 0, 0.0 3,-0.5 0.761 101.5 69.7 -69.1 -24.3 24.6 15.3 65.8 814 711 B W H 34 S+ 0 0 41 1,-0.2 -2,-0.1 2,-0.2 -236,-0.0 0.728 97.9 53.5 -67.2 -17.7 28.4 14.9 65.7 815 712 B N H <4 S+ 0 0 115 -3,-1.3 -1,-0.2 1,-0.1 -3,-0.1 0.811 122.5 26.0 -80.3 -27.9 28.5 17.6 63.0 816 713 B T H << S+ 0 0 86 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.1 0.673 88.5 114.6-111.9 -22.5 26.6 20.2 65.1 817 714 B H < - 0 0 24 -4,-3.3 2,-0.8 1,-0.1 -184,-0.0 -0.261 56.1-143.1 -59.7 129.4 27.2 19.3 68.7 818 715 B V - 0 0 118 -187,-0.1 2,-0.1 -246,-0.1 -1,-0.1 -0.850 24.7-132.9 -90.9 109.8 29.1 21.9 70.8 819 716 B W - 0 0 119 -2,-0.8 -187,-0.1 1,-0.1 0, 0.0 -0.386 20.7-170.1 -67.4 137.7 31.2 19.8 73.1 820 717 B K 0 0 114 -2,-0.1 -1,-0.1 0, 0.0 -188,-0.0 0.774 360.0 360.0 -98.7 -33.4 31.1 20.9 76.7 821 718 B G 0 0 128 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.169 360.0 360.0 111.4 360.0 34.0 18.6 77.9