==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 25-MAY-10 3N62 . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.LI,S.L.DELKER,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 65.6 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 . 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 . 70 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.4 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 . 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 2 0 2 0 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 . 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 0 218 0, 0.0 2,-0.4 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -56.6 21.6 27.4 40.0 2 300 A F - 0 0 151 17,-0.1 2,-0.4 13,-0.0 15,-0.2 -0.650 360.0-165.4 -76.7 126.3 24.4 24.9 40.5 3 301 A L E -A 16 0A 40 13,-1.9 13,-3.6 -2,-0.4 2,-0.4 -0.931 7.1-149.3-119.1 139.7 22.9 21.5 41.5 4 302 A K E -A 15 0A 147 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.852 6.8-167.1-107.7 140.1 24.7 18.5 42.9 5 303 A V E -A 14 0A 0 9,-2.6 9,-3.0 -2,-0.4 2,-0.4 -0.993 11.1-157.2-120.0 139.3 23.9 14.9 42.5 6 304 A K E -A 13 0A 58 -2,-0.4 380,-2.2 7,-0.2 2,-0.6 -0.877 14.7-139.7-113.9 143.0 25.4 12.2 44.6 7 305 A N B > -B 385 0B 8 5,-2.3 4,-1.4 -2,-0.4 378,-0.2 -0.924 13.1-157.4 -95.8 123.1 25.9 8.5 44.1 8 306 A W T 4 S+ 0 0 75 376,-2.7 377,-0.1 -2,-0.6 -1,-0.1 0.578 89.6 47.9 -82.1 -10.3 25.1 6.8 47.4 9 307 A E T 4 S+ 0 0 38 375,-0.2 -1,-0.2 372,-0.1 376,-0.1 0.835 127.1 23.8 -88.3 -41.7 27.2 3.6 46.6 10 308 A T T 4 S- 0 0 86 2,-0.1 -2,-0.2 374,-0.1 3,-0.1 0.389 91.0-133.3-108.3 0.3 30.4 5.5 45.4 11 309 A D < + 0 0 106 -4,-1.4 -3,-0.1 1,-0.2 2,-0.0 0.331 53.6 150.7 56.3 -4.7 30.0 8.9 47.2 12 310 A V - 0 0 66 -6,-0.1 -5,-2.3 1,-0.1 2,-0.4 -0.323 32.1-154.9 -55.1 129.7 30.9 10.5 43.8 13 311 A V E -A 6 0A 66 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.925 8.9-168.2-113.3 133.3 29.3 14.0 43.5 14 312 A L E -A 5 0A 34 -9,-3.0 -9,-2.6 -2,-0.4 2,-0.5 -0.930 14.9-136.0-122.4 148.2 28.5 15.7 40.2 15 313 A T E -A 4 0A 66 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.905 13.6-154.1-107.2 123.6 27.5 19.3 39.4 16 314 A D E +A 3 0A 0 -13,-3.6 -13,-1.9 -2,-0.5 347,-0.2 -0.845 31.0 152.4 -98.9 122.2 24.7 20.0 37.0 17 315 A T > + 0 0 48 345,-2.6 3,-1.3 -2,-0.6 4,-0.2 0.458 61.8 80.2-114.8 -11.2 24.7 23.3 35.2 18 316 A L G > S+ 0 0 7 344,-2.0 3,-2.5 1,-0.3 345,-0.2 0.812 75.4 73.5 -70.7 -28.3 22.8 22.1 32.1 19 317 A H G > S+ 0 0 19 343,-0.3 3,-1.7 1,-0.3 -1,-0.3 0.694 81.4 73.3 -60.2 -19.3 19.4 22.3 33.8 20 318 A L G < S+ 0 0 76 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.758 93.3 54.0 -66.3 -22.6 19.7 26.1 33.5 21 319 A K G < S+ 0 0 149 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.248 83.6 123.8 -92.3 11.1 19.0 25.6 29.8 22 320 A S < + 0 0 18 -3,-1.7 370,-0.2 1,-0.1 419,-0.0 -0.410 30.4 169.4 -72.5 151.3 15.8 23.7 30.5 23 321 A T + 0 0 54 368,-2.1 -1,-0.1 -2,-0.1 369,-0.1 0.697 44.7 70.2-130.2 -61.0 12.7 25.0 28.9 24 322 A L S S- 0 0 48 367,-0.4 367,-0.5 1,-0.1 2,-0.2 -0.100 84.6 -99.8 -61.2 162.7 9.5 22.9 29.0 25 323 A E - 0 0 140 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.589 17.6-148.0 -90.6 150.5 7.7 22.3 32.4 26 324 A T - 0 0 16 413,-2.5 414,-0.1 2,-0.2 413,-0.1 0.703 35.1-117.7 -89.4 -22.8 8.0 19.1 34.5 27 325 A G S S+ 0 0 30 1,-0.4 412,-0.1 412,-0.3 2,-0.1 0.021 81.6 108.4 97.5 -26.4 4.6 18.8 36.1 28 326 A C - 0 0 3 410,-0.3 -1,-0.4 411,-0.1 2,-0.3 -0.406 46.3-172.2 -77.6 158.7 6.1 19.2 39.6 29 327 A T - 0 0 45 3,-2.4 408,-0.4 -3,-0.1 406,-0.2 -0.843 45.5 -94.2-131.3 179.3 5.7 22.3 41.8 30 328 A E S S+ 0 0 66 -2,-0.3 405,-2.0 1,-0.2 406,-0.2 0.687 127.7 45.6 -65.0 -17.3 7.3 23.3 45.1 31 329 A H S S+ 0 0 87 1,-0.3 771,-0.4 403,-0.2 2,-0.4 0.770 120.4 26.2 -96.2 -28.1 4.2 21.7 46.8 32 330 A I - 0 0 11 769,-0.1 -3,-2.4 -3,-0.1 2,-0.6 -0.983 61.9-146.0-147.3 126.3 3.9 18.4 44.9 33 331 A C B -C 800 0C 9 767,-2.9 767,-1.9 -2,-0.4 3,-0.3 -0.822 10.7-176.8 -92.9 126.0 6.2 16.1 43.0 34 332 A M > + 0 0 25 -2,-0.6 3,-2.5 1,-0.2 -1,-0.1 0.027 40.2 128.9-107.3 25.3 4.8 14.4 40.0 35 333 A G T 3 S+ 0 0 19 1,-0.3 -1,-0.2 765,-0.1 334,-0.1 0.750 74.6 47.4 -53.1 -28.4 7.9 12.3 39.3 36 334 A S T 3 S+ 0 0 18 762,-0.4 2,-0.5 -3,-0.3 -1,-0.3 0.319 84.1 107.0-102.0 11.1 5.9 9.1 39.1 37 335 A I < - 0 0 13 -3,-2.5 -3,-0.1 1,-0.1 377,-0.0 -0.783 60.3-150.7 -85.5 127.2 3.1 10.4 36.8 38 336 A M S S+ 0 0 62 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.913 92.4 25.0 -64.0 -43.6 3.4 8.9 33.4 39 337 A L 0 0 80 -12,-0.0 -1,-0.3 359,-0.0 -12,-0.0 -0.770 360.0 360.0-120.9 82.3 1.8 11.9 31.6 40 338 A P 0 0 90 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.430 360.0 360.0 -82.5 360.0 2.3 14.9 33.9 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 0 126 0, 0.0 4,-1.9 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 168.9 2.1 31.0 15.1 43 351 A K H 3> + 0 0 80 1,-0.2 4,-1.4 2,-0.2 38,-0.1 0.818 360.0 57.1 -51.8 -42.2 4.8 33.3 13.8 44 352 A D H 34 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.857 112.2 38.4 -60.5 -43.8 5.5 34.9 17.2 45 353 A Q H <> S+ 0 0 110 -3,-0.7 4,-1.2 1,-0.1 -1,-0.2 0.818 109.5 61.9 -79.6 -32.3 6.3 31.7 19.0 46 354 A L H X S+ 0 0 20 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.902 94.8 55.7 -69.9 -45.1 8.2 30.0 16.3 47 355 A F H X S+ 0 0 46 -4,-1.4 4,-3.2 1,-0.2 5,-0.2 0.892 106.0 50.2 -60.9 -40.6 11.2 32.3 15.7 48 356 A P H > S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.915 113.8 47.9 -59.8 -38.5 12.4 32.3 19.4 49 357 A L H X S+ 0 0 52 -4,-1.2 4,-2.1 2,-0.2 219,-0.2 0.932 113.1 46.9 -65.5 -45.2 12.3 28.5 19.2 50 358 A A H X S+ 0 0 0 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.946 113.8 48.6 -59.2 -49.9 14.1 28.4 15.9 51 359 A K H X S+ 0 0 86 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.904 109.2 52.2 -57.0 -48.7 16.7 30.9 17.2 52 360 A E H X S+ 0 0 71 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.901 114.8 43.3 -55.3 -44.4 17.3 28.9 20.4 53 361 A F H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.944 113.9 48.5 -67.7 -47.4 17.8 25.8 18.3 54 362 A L H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.851 108.9 55.2 -65.9 -32.9 20.1 27.4 15.7 55 363 A D H X S+ 0 0 29 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.930 110.2 45.0 -62.7 -46.5 22.2 29.0 18.4 56 364 A Q H X S+ 0 0 49 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.933 113.7 51.3 -65.8 -39.9 22.8 25.6 20.0 57 365 A Y H X S+ 0 0 22 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.953 112.4 43.6 -58.5 -53.6 23.6 24.1 16.5 58 366 A Y H <>S+ 0 0 26 -4,-2.9 5,-3.1 1,-0.2 6,-0.4 0.879 113.1 52.8 -64.1 -35.9 26.1 26.8 15.6 59 367 A S H ><5S+ 0 0 67 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.2 0.921 105.1 56.2 -59.0 -43.0 27.6 26.6 19.0 60 368 A S H 3<5S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.812 109.9 43.8 -64.4 -30.6 28.0 22.8 18.5 61 369 A I T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.141 117.6-113.7 -98.4 18.8 30.0 23.3 15.3 62 370 A K T < 5S+ 0 0 191 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.820 88.8 110.6 54.9 40.7 32.1 26.1 16.9 63 371 A R > < + 0 0 139 -5,-3.1 3,-1.5 -6,-0.1 6,-0.4 -0.061 37.2 150.7-130.1 29.4 30.7 28.8 14.6 64 372 A F T 3 S+ 0 0 125 -6,-0.4 3,-0.1 1,-0.3 -9,-0.1 -0.451 72.2 11.4 -70.7 135.8 28.6 30.7 17.1 65 373 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -2,-0.2 2,-0.1 0.494 98.4 137.5 75.0 3.8 28.3 34.4 16.3 66 374 A S S <> S- 0 0 32 -3,-1.5 4,-2.8 1,-0.1 -1,-0.2 -0.320 70.8-110.0 -77.4 163.5 29.8 33.8 12.9 67 375 A K H > S+ 0 0 152 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.910 122.1 54.1 -61.0 -40.5 28.4 35.4 9.7 68 376 A A H > S+ 0 0 46 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.849 110.2 48.7 -61.0 -35.3 27.2 31.9 8.6 69 377 A H H > S+ 0 0 1 -6,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.962 115.2 42.5 -62.8 -54.0 25.3 31.8 11.9 70 378 A M H X S+ 0 0 86 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.893 113.5 52.9 -62.7 -42.0 23.8 35.3 11.5 71 379 A D H X S+ 0 0 74 -4,-3.5 4,-2.7 -5,-0.2 -1,-0.2 0.870 110.2 48.0 -60.6 -40.4 23.0 34.6 7.8 72 380 A R H X S+ 0 0 7 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.895 111.6 48.4 -70.7 -39.6 21.1 31.5 8.7 73 381 A L H X S+ 0 0 18 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.939 113.6 49.0 -63.8 -47.0 19.2 33.2 11.5 74 382 A E H X S+ 0 0 102 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.947 111.6 49.0 -50.2 -55.4 18.4 35.9 9.0 75 383 A E H X S+ 0 0 88 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.876 112.9 46.3 -55.1 -45.5 17.3 33.4 6.4 76 384 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.914 110.4 53.0 -70.2 -44.4 15.0 31.5 8.8 77 385 A N H X S+ 0 0 61 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.927 110.8 47.8 -49.0 -51.0 13.5 34.7 10.1 78 386 A K H X S+ 0 0 133 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.851 111.8 50.5 -61.0 -36.2 12.7 35.7 6.5 79 387 A E H X S+ 0 0 47 -4,-1.7 4,-3.1 2,-0.2 6,-0.6 0.887 111.2 47.3 -73.7 -40.1 11.2 32.3 5.8 80 388 A I H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.944 110.4 51.7 -64.4 -50.9 9.0 32.3 8.9 81 389 A E H < S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.800 122.1 33.4 -54.8 -30.9 7.7 35.8 8.2 82 390 A S H < S+ 0 0 98 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.818 133.3 22.9 -98.2 -37.7 6.8 34.8 4.7 83 391 A T H < S- 0 0 72 -4,-3.1 -3,-0.2 2,-0.4 -2,-0.2 0.575 93.1-125.2-106.2 -13.2 5.7 31.1 4.8 84 392 A S S < S+ 0 0 71 -4,-2.4 2,-0.2 -5,-0.4 -4,-0.2 0.445 89.9 43.3 71.2 5.9 4.7 30.9 8.5 85 393 A T S S- 0 0 30 -6,-0.6 -2,-0.4 -9,-0.1 2,-0.3 -0.835 73.4-139.9-150.3-170.3 7.2 28.0 8.9 86 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.978 13.9-118.7-153.7 167.0 10.7 27.0 7.8 87 395 A Q - 0 0 97 -2,-0.3 2,-0.2 182,-0.0 -8,-0.1 -0.916 25.0-129.3-110.9 135.4 12.7 24.0 6.5 88 396 A L - 0 0 6 -2,-0.4 2,-0.1 1,-0.1 179,-0.0 -0.569 22.8-118.7 -76.1 141.8 15.7 22.5 8.4 89 397 A K > - 0 0 97 -2,-0.2 4,-2.4 1,-0.1 3,-0.2 -0.470 32.2-109.0 -68.2 154.3 19.0 22.0 6.5 90 398 A D H > S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 121.7 54.2 -55.8 -42.0 19.9 18.3 6.4 91 399 A T H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.1 46.2 -58.5 -44.4 22.8 19.0 8.9 92 400 A E H > S+ 0 0 1 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.824 110.9 53.1 -66.4 -38.0 20.3 20.6 11.3 93 401 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.957 111.1 45.2 -61.7 -51.7 17.8 17.8 10.9 94 402 A I H X S+ 0 0 72 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.917 115.8 47.6 -59.4 -43.5 20.5 15.1 11.8 95 403 A Y H X S+ 0 0 30 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.921 111.9 49.5 -63.8 -45.6 21.8 17.2 14.7 96 404 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.894 111.8 48.3 -64.1 -43.2 18.2 17.8 16.0 97 405 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.917 111.3 49.6 -64.5 -44.0 17.4 14.1 15.8 98 406 A K H X S+ 0 0 52 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.905 113.9 47.0 -59.7 -38.1 20.6 13.0 17.6 99 407 A H H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.801 102.4 60.6 -79.9 -27.5 19.9 15.6 20.3 100 408 A A H < S+ 0 0 0 -4,-2.1 296,-0.4 2,-0.2 4,-0.4 0.916 111.6 42.6 -61.3 -39.9 16.3 14.6 20.8 101 409 A W H >< S+ 0 0 34 -4,-1.7 3,-1.8 2,-0.2 -2,-0.2 0.960 111.7 53.8 -68.1 -48.6 17.7 11.1 21.7 102 410 A R H 3< S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.852 112.4 46.6 -48.4 -39.1 20.5 12.7 23.8 103 411 A N T 3< S+ 0 0 9 -4,-2.4 2,-1.3 291,-0.2 289,-0.4 0.484 77.6 116.1 -87.6 -5.9 17.8 14.6 25.7 104 412 A A X - 0 0 27 -3,-1.8 3,-2.3 -4,-0.4 6,-0.1 -0.494 47.1-167.7 -72.9 95.5 15.4 11.7 26.3 105 413 A S T 3 S+ 0 0 20 -2,-1.3 262,-2.9 1,-0.3 -1,-0.2 0.646 81.6 55.0 -64.4 -17.3 15.6 11.6 30.1 106 414 A R T 3 S+ 0 0 78 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.419 85.5 99.4 -92.0 -1.5 13.8 8.2 30.2 107 415 A C X - 0 0 38 -3,-2.3 3,-0.7 -6,-0.2 264,-0.1 -0.809 46.1-174.4 -97.2 120.1 16.2 6.4 27.9 108 416 A V T 3 S+ 0 0 24 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.641 80.7 67.0 -79.1 -15.3 18.9 4.2 29.5 109 417 A G T > + 0 0 27 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.233 60.8 117.2 -92.8 17.6 20.6 3.5 26.1 110 418 A R G X + 0 0 0 -3,-0.7 3,-2.5 1,-0.3 4,-0.2 0.594 50.3 85.5 -70.0 -8.5 21.8 7.1 25.4 111 419 A I G 3 S+ 0 0 46 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.845 93.4 52.5 -55.5 -24.3 25.5 6.2 25.4 112 420 A Q G X S+ 0 0 48 -3,-1.8 3,-2.6 1,-0.2 -1,-0.3 0.423 76.1 114.4 -88.1 -0.3 24.7 5.4 21.8 113 421 A W T < S+ 0 0 37 -3,-2.5 -1,-0.2 1,-0.3 -11,-0.1 0.759 71.9 51.4 -52.5 -40.1 23.1 8.8 21.0 114 422 A S T 3 S+ 0 0 55 -3,-0.4 2,-0.9 -4,-0.2 -1,-0.3 0.607 98.7 69.1 -76.5 -9.6 25.6 10.1 18.4 115 423 A K < + 0 0 115 -3,-2.6 2,-0.4 -17,-0.1 34,-0.3 -0.762 67.9 132.8-108.7 76.3 25.4 6.8 16.4 116 424 A L - 0 0 16 -2,-0.9 2,-0.6 32,-0.1 34,-0.2 -0.999 52.1-138.6-124.5 128.5 21.9 7.2 15.0 117 425 A Q E -d 150 0D 81 32,-1.7 34,-2.5 -2,-0.4 2,-0.5 -0.813 21.4-154.9 -85.7 121.6 21.2 6.7 11.3 118 426 A V E -d 151 0D 21 -2,-0.6 2,-0.6 32,-0.2 34,-0.2 -0.870 6.3-161.9-104.3 124.9 18.8 9.4 10.3 119 427 A F E -d 152 0D 55 32,-3.2 34,-2.8 -2,-0.5 2,-0.9 -0.941 12.0-145.9-108.7 119.1 16.6 8.8 7.3 120 428 A D E +d 153 0D 57 -2,-0.6 3,-0.2 32,-0.2 34,-0.1 -0.726 29.1 163.9 -89.3 103.8 15.2 11.9 5.8 121 429 A A > + 0 0 0 32,-2.0 3,-1.8 -2,-0.9 -1,-0.1 -0.048 34.2 120.6-107.3 29.0 11.7 11.1 4.5 122 430 A R T 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4,-2.2 -4,-0.1 -2,-0.1 0.811 52.6 152.8 54.3 36.7 9.5 -15.9 46.4 317 625 A W H > S+ 0 0 19 -5,-0.4 4,-2.7 -8,-0.4 5,-0.2 0.882 70.6 53.9 -59.8 -39.2 8.2 -18.2 43.6 318 626 A K H > S+ 0 0 62 -5,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 109.3 47.7 -60.3 -44.8 7.3 -15.1 41.5 319 627 A D H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.876 111.7 50.3 -67.0 -39.0 10.9 -13.8 41.9 320 628 A Q H X S+ 0 0 36 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.954 112.5 45.3 -62.3 -51.7 12.4 -17.2 41.0 321 629 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.878 109.7 57.3 -59.3 -39.5 10.2 -17.5 37.8 322 630 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.934 106.4 47.7 -55.9 -48.5 11.0 -13.9 36.9 323 631 A V H X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.939 112.3 49.5 -61.0 -46.5 14.7 -14.5 36.9 324 632 A E H X S+ 0 0 20 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.851 108.5 52.4 -62.6 -38.9 14.4 -17.7 34.8 325 633 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.915 112.3 46.4 -62.1 -43.8 12.2 -16.0 32.2 326 634 A N H X S+ 0 0 0 -4,-2.2 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