==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-JUN-10 3NLO . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . 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) . 35433.0 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 . 15 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 11.0 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 . 68 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 27.1 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 7 2 0 2 1 0 1 0 0 2 0 0 2 2 3 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 . 11 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 . 7 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,-0.5 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -39.8 20.9 27.7 40.4 2 300 A F - 0 0 148 17,-0.1 2,-0.4 16,-0.0 15,-0.2 -0.790 360.0-158.3 -80.5 130.3 23.9 25.3 40.2 3 301 A L E -A 16 0A 43 13,-1.9 13,-5.2 -2,-0.5 2,-0.3 -0.937 6.9-146.6-122.5 138.0 22.7 21.9 41.3 4 302 A K E -A 15 0A 125 -2,-0.4 2,-0.4 11,-0.3 11,-0.2 -0.712 6.4-164.1 -99.5 140.1 24.6 18.9 42.6 5 303 A V E -A 14 0A 0 9,-2.4 9,-2.1 -2,-0.3 2,-0.4 -0.976 10.3-159.4-116.0 145.3 23.8 15.2 42.2 6 304 A K E -A 13 0A 59 -2,-0.4 380,-2.5 7,-0.2 2,-0.5 -0.921 15.0-143.9-125.2 143.7 25.4 12.6 44.3 7 305 A N B > -B 385 0B 2 5,-2.2 4,-1.5 -2,-0.4 378,-0.3 -0.921 11.6-157.6 -98.1 129.2 25.9 8.9 43.8 8 306 A W T 4 S+ 0 0 98 376,-3.4 377,-0.1 -2,-0.5 -1,-0.1 0.562 88.3 53.5 -88.1 -5.2 25.5 7.2 47.2 9 307 A E T 4 S+ 0 0 41 375,-0.4 -1,-0.2 372,-0.2 376,-0.1 0.830 126.2 18.2 -92.2 -39.2 27.5 4.1 46.2 10 308 A T T 4 S- 0 0 77 374,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.453 93.5-124.9-110.6 -7.4 30.7 5.9 45.0 11 309 A D < + 0 0 113 -4,-1.5 2,-0.3 1,-0.2 -3,-0.1 0.609 54.3 156.5 65.8 11.1 30.5 9.4 46.5 12 310 A V - 0 0 57 -5,-0.1 -5,-2.2 -6,-0.0 2,-0.5 -0.543 25.3-161.8 -69.8 135.1 30.8 11.0 43.1 13 311 A V E -A 6 0A 81 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.975 6.1-171.1-124.2 118.0 29.3 14.5 42.9 14 312 A L E -A 5 0A 24 -9,-2.1 -9,-2.4 -2,-0.5 2,-0.6 -0.833 18.3-133.1-109.0 148.6 28.4 16.2 39.6 15 313 A T E -A 4 0A 59 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.3 -0.879 16.9-147.6-106.0 118.0 27.3 19.9 39.2 16 314 A D E +A 3 0A 0 -13,-5.2 -13,-1.9 -2,-0.6 347,-0.2 -0.720 38.2 145.4 -89.9 116.1 24.3 20.5 37.0 17 315 A T > + 0 0 44 345,-3.3 3,-1.1 -2,-0.7 4,-0.2 0.509 58.9 81.1-115.2 -5.3 24.2 23.7 35.0 18 316 A L G > S+ 0 0 9 344,-1.8 3,-2.1 1,-0.2 345,-0.2 0.837 77.9 69.6 -70.0 -32.2 22.3 22.4 31.9 19 317 A H G > S+ 0 0 17 343,-0.3 3,-0.8 1,-0.3 -1,-0.2 0.626 86.4 67.1 -65.7 -16.1 18.9 22.6 33.5 20 318 A L G < S+ 0 0 68 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.611 94.7 57.8 -78.1 -14.4 19.0 26.5 33.4 21 319 A K G < S+ 0 0 144 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.3 -0.164 88.8 129.6 -95.2 33.5 18.9 26.2 29.6 22 320 A S < + 0 0 18 -3,-0.8 370,-0.2 1,-0.1 -3,-0.1 -0.694 31.1 171.5 -95.5 146.6 15.6 24.3 30.3 23 321 A T + 0 0 68 368,-1.6 369,-0.2 -2,-0.3 -1,-0.1 0.812 47.3 60.5-129.5 -40.5 12.4 25.2 28.5 24 322 A L S S- 0 0 44 367,-1.5 367,-0.4 416,-0.1 2,-0.4 -0.289 82.7 -98.0 -84.2 179.3 9.3 23.0 28.9 25 323 A E - 0 0 135 365,-0.1 415,-0.2 1,-0.1 414,-0.1 -0.845 16.2-148.2-109.9 141.7 7.5 22.2 32.2 26 324 A T - 0 0 20 413,-2.5 414,-0.1 -2,-0.4 3,-0.1 0.548 37.3-116.1 -82.3 -15.3 8.0 19.1 34.4 27 325 A G S S+ 0 0 29 412,-0.4 2,-0.2 1,-0.3 412,-0.1 0.223 80.6 113.6 89.9 -16.1 4.5 18.7 36.0 28 326 A C - 0 0 4 410,-0.4 -1,-0.3 411,-0.1 2,-0.3 -0.612 46.7-164.5 -88.7 149.4 6.0 19.4 39.5 29 327 A T B > -C 32 0C 50 3,-2.3 3,-1.0 -2,-0.2 408,-0.3 -0.811 40.9-103.9-118.7 167.4 5.4 22.3 41.8 30 328 A E T 3 S+ 0 0 59 -2,-0.3 405,-2.5 1,-0.2 406,-0.3 0.788 126.2 47.0 -54.4 -22.5 7.2 23.6 44.8 31 329 A H T 3 S+ 0 0 95 403,-0.2 771,-0.4 1,-0.2 2,-0.3 0.568 118.9 26.6 -98.8 -11.2 4.2 22.0 46.6 32 330 A I B < -C 29 0C 9 -3,-1.0 -3,-2.3 769,-0.1 2,-0.5 -0.987 62.1-140.3-158.9 135.0 3.9 18.6 45.0 33 331 A C B +D 800 0D 11 767,-3.3 767,-2.0 -2,-0.3 3,-0.2 -0.938 15.6 177.0-106.3 130.5 6.2 16.1 43.1 34 332 A M > + 0 0 26 -2,-0.5 3,-3.0 765,-0.2 -1,-0.1 0.078 37.4 128.2-116.1 14.9 4.7 14.3 40.1 35 333 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.1 765,-0.1 334,-0.1 0.738 74.3 51.4 -42.7 -32.2 7.8 12.3 39.2 36 334 A S T 3 S+ 0 0 16 762,-0.6 2,-0.4 -3,-0.2 -1,-0.3 0.436 80.8 111.3 -95.6 7.1 5.8 9.1 39.1 37 335 A I < - 0 0 14 -3,-3.0 -3,-0.1 1,-0.1 377,-0.1 -0.639 60.5-148.5 -73.3 127.2 3.1 10.4 36.8 38 336 A M S S+ 0 0 61 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.911 90.3 10.2 -60.5 -42.2 3.3 8.6 33.4 39 337 A L 0 0 107 -3,-0.1 -1,-0.2 -12,-0.0 -12,-0.1 -0.533 360.0 360.0-141.8 75.3 1.9 11.7 31.6 40 338 A P 0 0 89 0, 0.0 -12,-0.1 0, 0.0 -13,-0.1 -0.204 360.0 360.0 -67.2 360.0 1.6 15.0 33.6 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 0 118 0, 0.0 4,-3.6 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 169.9 1.3 29.9 14.9 43 351 A K H 3> + 0 0 103 1,-0.3 4,-0.6 2,-0.2 38,-0.0 0.851 360.0 50.0 -48.8 -46.5 3.3 32.8 13.4 44 352 A D H 34 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.802 122.8 32.8 -58.4 -33.6 3.6 34.5 16.9 45 353 A Q H <> S+ 0 0 122 -3,-1.0 4,-1.0 1,-0.1 -2,-0.2 0.814 106.6 64.1-100.8 -35.8 4.8 31.3 18.5 46 354 A L H X S+ 0 0 15 -4,-3.6 4,-0.8 1,-0.2 -3,-0.1 0.572 95.9 60.8 -73.2 -10.8 6.8 29.4 15.8 47 355 A F H X S+ 0 0 54 -4,-0.6 4,-2.8 -5,-0.3 3,-0.4 0.957 99.2 46.8 -87.1 -54.3 9.6 32.0 15.5 48 356 A P H > S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.880 112.8 54.5 -55.7 -35.4 11.2 32.3 18.9 49 357 A L H X S+ 0 0 61 -4,-1.0 4,-2.0 2,-0.2 219,-0.2 0.891 109.1 47.8 -57.9 -40.9 11.3 28.5 19.0 50 358 A A H X S+ 0 0 0 -4,-0.8 4,-2.3 -3,-0.4 -1,-0.2 0.917 111.6 50.2 -69.7 -42.5 13.1 28.6 15.6 51 359 A K H X S+ 0 0 90 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.900 110.2 48.5 -61.9 -45.1 15.5 31.2 16.9 52 360 A E H X S+ 0 0 59 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.908 111.5 50.8 -64.5 -40.6 16.4 29.2 20.1 53 361 A F H X S+ 0 0 4 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.918 112.5 45.0 -64.2 -41.9 16.9 26.1 18.1 54 362 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.844 108.4 58.0 -72.5 -36.5 19.3 27.8 15.6 55 363 A D H X S+ 0 0 37 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.971 111.5 42.3 -49.8 -54.3 21.1 29.5 18.4 56 364 A Q H X S+ 0 0 50 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.907 114.4 51.3 -67.7 -37.2 21.8 26.1 19.8 57 365 A Y H >X S+ 0 0 23 -4,-2.6 4,-1.2 1,-0.2 3,-0.7 0.974 112.3 43.6 -59.2 -57.7 22.7 24.5 16.4 58 366 A Y H 3<>S+ 0 0 30 -4,-2.7 5,-3.1 1,-0.3 6,-0.2 0.742 110.1 56.2 -63.5 -28.0 25.2 27.2 15.3 59 367 A S H ><5S+ 0 0 67 -4,-1.6 3,-1.1 -5,-0.3 -1,-0.3 0.839 103.1 56.6 -71.9 -32.3 26.8 27.2 18.7 60 368 A S H <<5S+ 0 0 56 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.838 109.2 44.3 -66.5 -34.6 27.4 23.5 18.4 61 369 A I T 3<5S- 0 0 70 -4,-1.2 -1,-0.2 0, 0.0 -2,-0.2 0.150 118.2-112.7 -95.8 18.5 29.4 23.9 15.1 62 370 A K T < 5S+ 0 0 191 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.796 89.8 111.5 56.7 37.0 31.3 26.8 16.6 63 371 A R > < + 0 0 128 -5,-3.1 3,-1.5 -6,-0.1 6,-0.4 -0.167 37.6 150.6-126.1 34.7 29.7 29.4 14.3 64 372 A F T 3 S+ 0 0 130 1,-0.3 3,-0.1 -6,-0.2 -9,-0.1 -0.523 75.8 7.0 -64.2 135.0 27.7 31.2 17.0 65 373 A G T 3 S+ 0 0 48 -2,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.599 102.4 134.7 65.3 11.2 27.3 34.9 16.2 66 374 A S S <> S- 0 0 28 -3,-1.5 4,-2.2 1,-0.1 -1,-0.2 -0.325 70.9-107.2 -85.2 171.8 28.8 34.2 12.7 67 375 A K H > S+ 0 0 152 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.936 119.2 54.1 -69.0 -48.0 27.4 35.5 9.5 68 376 A A H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.930 109.8 50.6 -47.0 -49.4 26.1 32.1 8.3 69 377 A H H > S+ 0 0 3 -6,-0.4 4,-2.6 1,-0.2 3,-0.4 0.985 114.1 42.3 -48.7 -62.9 24.2 31.9 11.6 70 378 A M H X S+ 0 0 87 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.831 114.0 52.8 -55.7 -37.3 22.7 35.4 11.3 71 379 A D H X S+ 0 0 77 -4,-3.5 4,-2.0 2,-0.2 -1,-0.2 0.850 109.4 47.8 -71.3 -37.7 21.9 34.8 7.6 72 380 A R H X S+ 0 0 15 -4,-2.4 4,-2.3 -3,-0.4 5,-0.2 0.926 109.9 54.5 -65.1 -45.1 20.1 31.6 8.4 73 381 A L H X S+ 0 0 24 -4,-2.6 4,-2.7 -5,-0.3 3,-0.4 0.964 111.1 43.3 -55.4 -50.7 18.2 33.4 11.1 74 382 A E H X S+ 0 0 114 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.885 111.8 54.4 -64.8 -39.9 16.9 36.1 8.8 75 383 A E H X S+ 0 0 105 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.818 111.3 46.0 -62.0 -32.6 16.1 33.5 6.0 76 384 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 -3,-0.4 -2,-0.2 0.939 108.7 53.6 -75.4 -48.2 13.9 31.5 8.5 77 385 A N H X S+ 0 0 40 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.833 109.6 52.0 -53.2 -31.1 12.2 34.6 9.9 78 386 A K H < S+ 0 0 150 -4,-1.7 4,-0.3 -5,-0.2 5,-0.3 0.920 107.9 47.3 -76.1 -43.1 11.3 35.5 6.2 79 387 A E H >X S+ 0 0 58 -4,-1.5 4,-2.9 1,-0.2 3,-0.7 0.869 115.9 48.8 -64.2 -36.8 9.7 32.1 5.3 80 388 A I H 3X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.973 100.8 61.2 -63.6 -55.2 7.8 32.3 8.6 81 389 A E H 3< S+ 0 0 149 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.449 125.7 17.5 -59.1 -1.5 6.5 35.9 8.0 82 390 A S H <4 S+ 0 0 81 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.559 128.4 42.7-133.6 -42.6 4.7 34.7 4.9 83 391 A T H < S- 0 0 68 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.665 90.0-130.0 -89.2 -16.6 4.3 30.8 4.9 84 392 A S S < S+ 0 0 65 -4,-2.1 2,-0.3 -5,-0.4 -4,-0.2 0.434 84.4 35.8 81.5 -0.3 3.4 30.3 8.5 85 393 A T S S- 0 0 26 -6,-0.5 -2,-0.3 -5,-0.1 2,-0.3 -0.885 71.8-139.2-157.3-176.2 6.1 27.6 8.9 86 394 A Y - 0 0 0 -2,-0.3 2,-0.4 -3,-0.1 -10,-0.1 -0.969 14.7-113.7-152.9 173.8 9.6 26.7 7.7 87 395 A Q - 0 0 90 -2,-0.3 2,-0.2 182,-0.0 -8,-0.1 -0.922 24.0-132.0-113.4 129.8 11.8 23.9 6.5 88 396 A L - 0 0 6 -2,-0.4 2,-0.2 1,-0.1 179,-0.0 -0.534 23.1-122.2 -72.6 144.3 14.9 22.5 8.3 89 397 A K > - 0 0 107 -2,-0.2 4,-2.7 1,-0.1 3,-0.2 -0.480 31.5-106.6 -75.5 158.4 18.1 22.0 6.4 90 398 A D H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 121.1 53.0 -57.1 -42.7 19.4 18.5 6.4 91 399 A T H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 112.1 46.3 -61.1 -40.0 22.2 19.3 8.7 92 400 A E H > S+ 0 0 1 -3,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.881 110.6 52.7 -66.6 -43.6 19.6 20.8 11.2 93 401 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.939 112.3 44.5 -60.8 -48.7 17.3 17.9 10.8 94 402 A I H X S+ 0 0 68 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.929 115.9 46.9 -61.2 -46.7 20.1 15.4 11.7 95 403 A Y H X S+ 0 0 29 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.908 112.5 50.7 -61.3 -40.9 21.3 17.5 14.5 96 404 A G H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.857 109.9 49.5 -68.3 -34.3 17.8 18.0 15.9 97 405 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.950 110.7 48.3 -67.1 -48.7 17.0 14.3 15.8 98 406 A K H X S+ 0 0 50 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.879 112.9 49.5 -63.6 -39.3 20.1 13.2 17.6 99 407 A H H X S+ 0 0 11 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.885 102.3 59.0 -71.7 -31.6 19.5 15.8 20.2 100 408 A A H < S+ 0 0 0 -4,-1.9 296,-0.4 2,-0.2 4,-0.2 0.944 112.5 42.6 -59.3 -41.6 15.9 14.8 20.8 101 409 A W H >< S+ 0 0 35 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.950 111.1 55.4 -64.8 -47.8 17.4 11.4 21.7 102 410 A R H 3< S+ 0 0 35 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.834 112.0 43.8 -54.7 -34.8 20.2 13.1 23.7 103 411 A N T 3< S+ 0 0 9 -4,-2.8 2,-1.5 291,-0.2 289,-0.4 0.385 77.9 121.0 -94.2 5.0 17.6 14.9 25.8 104 412 A A X - 0 0 26 -3,-1.9 3,-2.4 -4,-0.2 6,-0.2 -0.468 45.3-167.7 -71.0 94.0 15.2 11.9 26.2 105 413 A S T 3 S+ 0 0 20 -2,-1.5 262,-2.8 1,-0.3 -1,-0.2 0.746 81.8 52.9 -62.3 -18.6 15.3 11.8 30.1 106 414 A R T 3 S+ 0 0 54 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.544 87.1 98.7 -90.9 -5.1 13.6 8.3 30.2 107 415 A C X - 0 0 41 -3,-2.4 3,-0.6 -6,-0.2 264,-0.1 -0.729 45.7-176.3 -94.5 120.6 16.1 6.6 27.9 108 416 A V T 3 S+ 0 0 25 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.599 79.0 68.4 -79.9 -14.3 18.9 4.6 29.5 109 417 A G T > + 0 0 30 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.253 62.2 113.2 -94.4 13.9 20.5 3.9 26.1 110 418 A R G X + 0 0 0 -3,-0.6 3,-3.4 1,-0.3 4,-0.3 0.656 47.2 88.9 -70.5 -12.8 21.6 7.5 25.3 111 419 A I G 3 S+ 0 0 50 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.840 92.9 52.0 -50.0 -24.6 25.3 6.8 25.5 112 420 A Q G X S+ 0 0 52 -3,-1.6 3,-1.7 1,-0.2 -1,-0.3 0.179 74.9 117.7 -92.6 9.1 24.7 6.0 21.8 113 421 A W G X S+ 0 0 41 -3,-3.4 3,-0.6 1,-0.3 -1,-0.2 0.831 70.4 51.9 -60.4 -35.4 23.0 9.2 20.9 114 422 A S G 3 S+ 0 0 58 -3,-0.4 -1,-0.3 -4,-0.3 2,-0.2 0.683 96.4 68.2 -77.5 -13.0 25.4 10.5 18.4 115 423 A K G < S+ 0 0 149 -3,-1.7 2,-0.4 -17,-0.1 -1,-0.2 -0.112 71.5 137.1 -96.0 42.6 25.5 7.4 16.3 116 424 A L < - 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0 0 8 -5,-3.0 -1,-0.3 -6,-0.2 -192,-0.2 -0.899 56.1-106.2-104.9 127.0 10.4 -13.3 64.3 750 647 B T + 0 0 38 -194,-2.8 -59,-0.5 -2,-0.5 2,-0.3 -0.249 55.8 147.7 -56.0 129.6 8.0 -10.9 62.6 751 648 B I E -g 691 0W 22 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.954 30.3-148.5-155.7 157.3 9.1 -10.1 59.0 752 649 B V E -g 692 0W 34 -61,-1.8 -59,-3.1 -2,-0.3 -58,-0.2 -0.978 14.6-131.4-132.3 138.3 7.3 -9.3 55.7 753 650 B D > - 0 0 9 -2,-0.4 4,-2.1 -61,-0.2 5,-0.2 -0.462 30.5-109.3 -82.3 164.3 8.3 -10.0 52.2 754 651 B H H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.729 113.6 58.3 -67.9 -21.3 8.2 -7.3 49.5 755 652 B H H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 111.9 39.0 -74.1 -42.7 5.2 -8.8 47.7 756 653 B S H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.842 115.4 51.8 -77.3 -36.3 3.0 -8.7 50.7 757 654 B A H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.888 112.6 46.0 -65.3 -38.4 4.2 -5.4 52.0 758 655 B T H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.942 112.5 49.2 -75.6 -44.5 3.6 -3.7 48.6 759 656 B E H X S+ 0 0 92 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.918 112.3 49.9 -54.1 -51.0 0.2 -5.3 48.1 760 657 B S H X S+ 0 0 34 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.903 108.0 53.2 -52.5 -46.0 -0.7 -4.1 51.7 761 658 B F H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.884 105.1 54.0 -60.9 -37.5 0.5 -0.7 50.9 762 659 B I H X S+ 0 0 19 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.890 109.9 47.8 -65.0 -41.1 -1.8 -0.5 47.8 763 660 B K H X S+ 0 0 115 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.955 113.2 48.2 -61.1 -49.4 -4.8 -1.4 49.9 764 661 B H H X S+ 0 0 7 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.929 112.3 48.9 -55.6 -48.1 -3.8 1.3 52.5 765 662 B M H X S+ 0 0 1 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.893 110.9 48.9 -65.2 -44.5 -3.2 3.9 49.9 766 663 B E H >X S+ 0 0 55 -4,-2.5 4,-2.2 2,-0.2 3,-1.1 0.995 113.4 47.4 -54.3 -61.1 -6.6 3.3 48.2 767 664 B N H 3X S+ 0 0 97 -4,-2.7 4,-2.3 1,-0.3 5,-0.3 0.882 109.2 54.9 -47.7 -47.6 -8.3 3.4 51.6 768 665 B E H 3X>S+ 0 0 1 -4,-3.1 4,-1.8 1,-0.2 6,-1.4 0.820 107.2 49.5 -54.8 -38.1 -6.4 6.7 52.4 769 666 B Y H > - 0 0 8 -262,-2.3 4,-2.8 -2,-0.3 3,-2.2 -0.836 10.6-167.1-113.6 100.0 7.4 8.6 47.2 779 676 B W H 3> S+ 0 0 19 -2,-0.8 4,-2.9 1,-0.3 -1,-0.2 0.854 84.9 62.4 -57.3 -43.1 7.6 6.1 44.4 780 677 B V H 34 S+ 0 0 18 1,-0.2 -1,-0.3 2,-0.2 -263,-0.1 0.757 117.7 30.7 -48.4 -32.2 11.4 6.1 44.4 781 678 B W H <4 S+ 0 0 101 -3,-2.2 -2,-0.2 -265,-0.1 -1,-0.2 0.747 114.9 56.6-105.3 -31.9 11.3 4.8 47.9 782 679 B I H < S+ 0 0 1 -4,-2.8 -2,-0.2 -266,-0.1 -3,-0.2 0.895 89.0 85.3 -69.5 -38.5 8.1 2.8 48.0 783 680 B V S < S- 0 0 16 -4,-2.9 5,-0.1 -5,-0.2 6,-0.1 -0.450 89.9-116.4 -68.0 122.8 9.2 0.5 45.1 784 681 B P - 0 0 6 0, 0.0 -407,-0.2 0, 0.0 4,-0.2 -0.154 17.6-116.9 -60.9 154.3 11.3 -2.3 46.5 785 682 B P S S+ 0 0 12 0, 0.0 -407,-2.2 0, 0.0 -406,-0.4 0.413 97.1 41.1 -79.9 -0.9 15.0 -2.6 45.5 786 683 B M S S+ 0 0 2 -410,-0.2 -411,-0.1 -409,-0.2 -92,-0.1 -0.970 119.4 10.2-129.6 156.0 14.5 -6.0 43.7 787 684 B S S > S+ 0 0 6 -2,-0.3 3,-1.5 -468,-0.1 4,-0.5 0.747 72.4 168.9 59.5 29.2 11.7 -7.3 41.5 788 685 B G G > + 0 0 5 1,-0.2 3,-1.9 -4,-0.2 6,-0.5 0.874 67.4 45.5 -36.5 -66.0 10.1 -3.8 41.2 789 686 B S G 3 S+ 0 0 1 -415,-1.7 -1,-0.2 1,-0.3 -414,-0.1 0.559 103.6 62.5 -70.9 -5.5 7.6 -4.4 38.4 790 687 B I G < S+ 0 0 13 -3,-1.5 -1,-0.3 -416,-0.3 -2,-0.2 0.518 94.0 75.2 -93.6 -0.6 6.2 -7.7 39.8 791 688 B T S X S- 0 0 0 -3,-1.9 3,-1.2 -4,-0.5 4,-0.4 -0.843 90.3-125.4-103.7 142.7 5.0 -5.8 42.8 792 689 B P T 3 S+ 0 0 31 0, 0.0 3,-0.4 0, 0.0 -374,-0.2 0.614 99.8 70.9 -76.4 -6.1 1.9 -3.7 42.3 793 690 B V T > S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 -10,-0.1 0.816 87.3 67.2 -70.5 -28.8 3.4 -0.4 43.6 794 691 B F T < S+ 0 0 32 -3,-1.2 -1,-0.2 -6,-0.5 -5,-0.1 0.820 102.0 46.6 -60.6 -33.1 5.6 -0.1 40.5 795 692 B H T 3 S+ 0 0 14 -3,-0.4 -378,-2.3 -4,-0.4 2,-0.7 0.408 95.3 100.8 -90.8 3.1 2.5 0.3 38.3 796 693 B Q B < -S 416 0N 3 -3,-1.8 -380,-0.2 -380,-0.2 2,-0.1 -0.822 66.0-143.1-100.2 113.4 1.0 2.9 40.7 797 694 B E - 0 0 13 -382,-2.0 2,-0.3 -2,-0.7 -760,-0.1 -0.496 28.2-168.6 -59.0 139.7 1.3 6.6 40.0 798 695 B M - 0 0 1 -2,-0.1 -762,-0.6 -21,-0.1 2,-0.4 -0.987 19.8-141.7-138.3 149.0 1.9 8.5 43.3 799 696 B L - 0 0 1 -24,-0.4 -22,-2.8 -2,-0.3 2,-0.5 -0.911 17.5-158.5-109.7 137.0 1.8 12.0 44.4 800 697 B N B +D 33 0D 30 -767,-2.0 -767,-3.3 -2,-0.4 2,-0.3 -0.966 26.2 140.1-120.7 131.9 4.3 13.1 46.9 801 698 B Y - 0 0 2 -2,-0.5 2,-0.6 -769,-0.2 -285,-0.2 -0.949 47.9 -95.5-160.3 172.1 4.0 16.2 49.1 802 699 B R B +T 433 0O 88 -369,-0.6 -369,-0.6 -771,-0.4 -370,-0.4 -0.837 36.0 173.9-109.5 113.7 4.7 17.3 52.7 803 700 B L - 0 0 9 -2,-0.6 -372,-0.1 -289,-0.4 -375,-0.0 -0.809 29.5-101.4-106.1 149.2 2.1 17.1 55.5 804 701 B T S S+ 0 0 30 -2,-0.3 2,-0.2 2,-0.1 -127,-0.1 -0.957 96.6 61.2-114.5 148.3 2.6 17.9 59.2 805 702 B P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -128,-0.2 0.398 87.6 162.4 -59.7 149.5 3.0 16.2 61.7 806 703 B S E -E 676 0V 11 -130,-1.6 -130,-2.9 -2,-0.2 2,-0.6 -0.981 46.6-122.9-146.5 155.5 6.1 14.8 60.0 807 704 B F E -E 675 0V 29 -296,-0.4 2,-0.3 -2,-0.3 -132,-0.2 -0.891 39.7-170.8 -93.5 124.2 9.4 13.0 60.6 808 705 B E E -E 674 0V 39 -134,-3.3 -134,-2.7 -2,-0.6 2,-0.2 -0.780 22.8-109.3-115.2 162.1 12.3 15.1 59.3 809 706 B Y - 0 0 106 -2,-0.3 -136,-0.1 -136,-0.2 -1,-0.0 -0.546 32.3-166.7 -79.6 153.7 16.0 14.5 58.7 810 707 B Q - 0 0 26 -138,-0.4 -138,-0.0 -2,-0.2 0, 0.0 -0.963 29.3 -93.4-138.4 155.9 18.5 16.2 61.0 811 708 B P - 0 0 78 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.385 53.4 -91.0 -68.2 154.3 22.2 16.7 60.7 812 709 B D >> - 0 0 62 1,-0.1 3,-2.4 2,-0.1 4,-0.7 -0.451 37.4-128.8 -60.4 131.6 24.4 14.1 62.4 813 710 B P H >> S+ 0 0 2 0, 0.0 4,-2.9 0, 0.0 3,-0.6 0.759 104.2 66.2 -66.5 -22.0 25.0 15.4 65.9 814 711 B W H 34 S+ 0 0 49 1,-0.2 -2,-0.1 2,-0.2 -236,-0.0 0.735 102.0 52.2 -70.3 -16.6 28.7 15.0 65.7 815 712 B N H <4 S+ 0 0 116 -3,-2.4 -1,-0.2 1,-0.1 -3,-0.1 0.742 122.3 26.1 -83.4 -24.7 28.6 17.6 63.1 816 713 B T H << S+ 0 0 82 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.1 0.576 90.4 116.8-114.6 -16.1 26.6 20.2 65.1 817 714 B H < - 0 0 29 -4,-2.9 2,-0.7 -5,-0.2 -184,-0.0 -0.314 54.6-142.4 -71.0 136.4 27.4 19.4 68.7 818 715 B V - 0 0 116 -187,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.855 24.3-136.7 -93.7 113.7 29.2 21.9 71.0 819 716 B W - 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