==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JUL-08 3DQR . COMPND 2 MOLECULE: NITRIC OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.IGARASHI,H.LI,T.L.POULOS . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 9.9 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 . 77 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 27.4 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 4 2 0 0 3 1 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 . 2 0 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 5 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 . 6 5 0 1 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 0 220 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -35.8 21.2 27.6 40.5 2 300 A F - 0 0 124 17,-0.1 2,-0.3 18,-0.0 15,-0.2 -0.975 360.0-165.5-118.3 112.4 23.9 25.0 40.6 3 301 A L E -A 16 0A 43 13,-1.7 13,-3.4 -2,-0.5 2,-0.4 -0.744 5.7-148.9-102.5 148.2 22.6 21.6 41.7 4 302 A K E -A 15 0A 121 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.890 3.7-159.5-116.7 146.1 24.6 18.6 42.9 5 303 A V E -A 14 0A 0 9,-2.4 9,-2.6 -2,-0.4 2,-0.4 -0.989 11.1-155.0-124.8 133.1 23.7 14.9 42.4 6 304 A K E -A 13 0A 53 -2,-0.4 380,-1.9 7,-0.2 2,-0.7 -0.862 13.7-145.2-113.5 141.8 25.3 12.3 44.6 7 305 A N B > -B 385 0B 6 5,-2.1 4,-1.7 -2,-0.4 378,-0.2 -0.925 14.1-159.1 -98.8 117.8 25.9 8.6 44.0 8 306 A W T 4 S+ 0 0 97 376,-2.5 377,-0.1 -2,-0.7 -1,-0.1 0.400 87.6 54.8 -81.9 5.3 25.4 7.1 47.4 9 307 A E T 4 S+ 0 0 41 375,-0.3 -1,-0.2 372,-0.1 376,-0.1 0.712 125.5 19.4-104.3 -29.7 27.3 4.0 46.5 10 308 A T T 4 S- 0 0 76 374,-0.2 -2,-0.2 -3,-0.2 3,-0.1 0.402 93.3-130.8-119.4 -2.3 30.5 5.8 45.4 11 309 A D < + 0 0 113 -4,-1.7 -3,-0.1 1,-0.2 2,-0.1 0.379 54.1 150.2 65.1 -2.3 30.0 9.1 47.1 12 310 A V - 0 0 60 -5,-0.1 -5,-2.1 -6,-0.1 2,-0.4 -0.354 31.3-156.9 -61.9 134.6 30.8 10.9 43.8 13 311 A V E -A 6 0A 75 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.957 6.8-166.8-118.2 133.3 29.1 14.3 43.5 14 312 A L E -A 5 0A 29 -9,-2.6 -9,-2.4 -2,-0.4 2,-0.5 -0.889 15.3-135.0-117.2 149.6 28.4 15.9 40.2 15 313 A T E -A 4 0A 61 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.918 15.8-155.9-108.4 125.3 27.3 19.5 39.5 16 314 A D E +A 3 0A 0 -13,-3.4 -13,-1.7 -2,-0.5 347,-0.2 -0.869 31.0 151.2-102.7 125.3 24.5 20.1 37.1 17 315 A T > + 0 0 49 345,-3.3 3,-2.1 -2,-0.5 4,-0.3 0.516 59.7 83.8-122.1 -20.6 24.2 23.5 35.3 18 316 A L G > S+ 0 0 8 344,-2.7 3,-1.7 1,-0.3 4,-0.3 0.787 77.3 72.1 -55.5 -30.3 22.6 22.3 32.1 19 317 A H G > S+ 0 0 22 343,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.715 81.1 71.9 -62.4 -20.4 19.2 22.4 33.8 20 318 A L G < S+ 0 0 70 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.766 93.7 54.3 -67.5 -22.8 19.3 26.2 33.7 21 319 A K G < S+ 0 0 146 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.536 82.3 128.6 -84.4 -8.7 18.7 26.1 30.0 22 320 A S < + 0 0 16 -3,-1.3 370,-0.2 -4,-0.3 418,-0.0 -0.111 30.2 172.7 -46.6 145.2 15.6 24.0 30.7 23 321 A T + 0 0 60 368,-1.6 -1,-0.1 2,-0.1 369,-0.1 0.693 46.3 66.7-126.6 -47.4 12.6 25.4 28.9 24 322 A L S S- 0 0 41 367,-0.8 367,-0.4 1,-0.1 2,-0.2 -0.216 83.5 -96.5 -77.3 169.7 9.5 23.1 29.2 25 323 A E - 0 0 134 1,-0.1 415,-0.2 365,-0.1 -1,-0.1 -0.584 16.1-152.3 -90.4 150.8 7.5 22.2 32.4 26 324 A T - 0 0 20 413,-3.4 414,-0.1 -2,-0.2 3,-0.1 0.643 37.7-117.7 -93.2 -21.3 7.9 19.1 34.6 27 325 A G S S+ 0 0 32 1,-0.4 2,-0.1 412,-0.4 412,-0.1 0.221 81.2 106.3 100.5 -15.7 4.4 18.8 36.0 28 326 A C - 0 0 5 410,-0.3 -1,-0.4 411,-0.2 2,-0.2 -0.441 48.0-167.5 -93.4 168.3 5.7 19.3 39.6 29 327 A T - 0 0 47 3,-2.3 408,-0.3 -2,-0.1 406,-0.1 -0.775 44.1 -95.1-138.9-178.6 5.4 22.3 41.9 30 328 A E S S+ 0 0 72 -2,-0.2 405,-1.8 1,-0.2 406,-0.2 0.600 126.5 48.2 -79.8 -8.2 7.2 23.1 45.2 31 329 A H S S+ 0 0 82 1,-0.3 771,-0.4 403,-0.2 2,-0.4 0.757 118.5 27.9 -98.8 -29.5 4.2 21.6 46.9 32 330 A I - 0 0 9 769,-0.1 -3,-2.3 405,-0.1 2,-0.4 -0.994 61.9-147.2-143.1 133.0 3.8 18.4 45.0 33 331 A C B -C 800 0C 10 767,-2.6 767,-1.8 -2,-0.4 3,-0.2 -0.820 11.2-178.5 -96.3 133.5 6.1 16.0 43.1 34 332 A M > + 0 0 26 -2,-0.4 3,-2.7 765,-0.2 -1,-0.1 0.090 38.6 129.8-117.4 20.8 4.6 14.2 40.1 35 333 A G T 3 S+ 0 0 20 1,-0.3 334,-0.2 765,-0.1 -1,-0.1 0.629 72.5 49.7 -49.2 -22.4 7.8 12.3 39.3 36 334 A S T 3 S+ 0 0 17 762,-0.5 2,-0.5 -3,-0.2 -1,-0.3 0.298 81.5 110.2-104.3 11.7 5.9 9.0 39.2 37 335 A I < - 0 0 13 -3,-2.7 -3,-0.1 1,-0.1 377,-0.0 -0.758 59.9-148.8 -87.5 125.0 3.0 10.1 36.9 38 336 A V S S+ 0 0 32 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.867 89.7 21.5 -58.7 -44.5 3.3 8.5 33.4 39 337 A L 0 0 91 359,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.762 360.0 360.0-129.5 84.0 1.8 11.3 31.4 40 338 A P 0 0 101 0, 0.0 -13,-0.1 0, 0.0 -12,-0.1 -0.145 360.0 360.0 -67.2 360.0 2.0 14.6 33.4 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 0 112 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 141.5 1.9 31.3 15.6 43 351 A K H 3> + 0 0 78 1,-0.2 4,-1.6 2,-0.2 38,-0.1 0.784 360.0 55.0 -61.1 -28.7 4.8 33.1 13.8 44 352 A D H 34 S+ 0 0 139 2,-0.2 -1,-0.2 1,-0.2 37,-0.0 0.800 110.9 44.9 -74.3 -30.1 5.5 34.9 17.1 45 353 A Q H <> S+ 0 0 121 -3,-0.6 4,-1.2 2,-0.1 -2,-0.2 0.862 112.2 53.0 -79.4 -39.1 5.9 31.6 18.9 46 354 A L H X S+ 0 0 24 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.885 97.7 57.2 -69.2 -45.0 8.0 30.0 16.2 47 355 A F H X S+ 0 0 44 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.897 106.8 49.5 -60.4 -39.4 10.9 32.3 15.6 48 356 A P H > S+ 0 0 69 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.950 112.6 48.1 -64.1 -42.3 12.1 32.3 19.2 49 357 A L H X S+ 0 0 58 -4,-1.2 4,-2.3 1,-0.2 219,-0.2 0.940 114.2 47.0 -59.1 -46.1 12.0 28.5 19.2 50 358 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.906 111.8 50.7 -61.4 -44.5 13.9 28.4 15.9 51 359 A K H X S+ 0 0 97 -4,-3.1 4,-2.3 -5,-0.2 5,-0.2 0.908 108.1 51.9 -60.4 -44.5 16.4 31.0 17.2 52 360 A E H X S+ 0 0 66 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.944 113.2 46.3 -57.5 -48.8 17.0 28.9 20.4 53 361 A F H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.965 112.5 46.6 -58.9 -57.8 17.7 25.9 18.2 54 362 A L H X S+ 0 0 0 -4,-2.9 4,-3.6 1,-0.2 5,-0.3 0.852 109.2 54.9 -57.7 -36.3 20.0 27.4 15.6 55 363 A D H X S+ 0 0 28 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.959 111.6 44.2 -63.1 -47.7 22.1 29.2 18.2 56 364 A Q H X S+ 0 0 47 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.858 113.0 53.4 -65.6 -32.0 22.7 25.9 19.9 57 365 A Y H X S+ 0 0 28 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.976 114.2 40.0 -65.8 -52.4 23.3 24.3 16.5 58 366 A Y H <>S+ 0 0 25 -4,-3.6 5,-1.6 1,-0.2 6,-0.3 0.883 112.0 56.7 -64.4 -35.6 25.9 26.9 15.6 59 367 A S H ><5S+ 0 0 69 -4,-3.1 3,-1.6 -5,-0.3 5,-0.2 0.948 105.7 52.6 -59.1 -44.2 27.4 26.9 19.1 60 368 A S H 3<5S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.798 109.0 48.6 -62.8 -30.1 27.9 23.1 18.6 61 369 A I T 3<5S- 0 0 63 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.002 116.7-111.4-100.2 30.8 29.8 23.6 15.4 62 370 A K T < 5S+ 0 0 190 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.902 93.4 100.8 39.9 64.1 32.1 26.3 16.8 63 371 A R > < + 0 0 152 -5,-1.6 3,-1.0 3,-0.1 6,-0.3 -0.066 42.5 158.0-162.6 36.0 30.6 29.2 14.8 64 372 A F T 3 S+ 0 0 128 -6,-0.3 3,-0.1 1,-0.3 -9,-0.1 -0.510 74.3 8.2 -69.6 134.2 28.3 30.8 17.3 65 373 A G T 3 S+ 0 0 46 -2,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.922 99.2 133.5 60.0 43.9 27.7 34.4 16.3 66 374 A S S <> S- 0 0 34 -3,-1.0 4,-2.7 1,-0.1 -1,-0.2 -0.517 73.4 -99.0-110.2-177.6 29.4 34.1 12.9 67 375 A K H > S+ 0 0 145 2,-0.2 4,-5.0 -2,-0.2 5,-0.2 0.938 124.4 52.2 -71.3 -44.5 28.1 35.3 9.6 68 376 A A H > S+ 0 0 43 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.921 112.9 47.1 -53.3 -45.5 26.8 31.8 8.6 69 377 A H H > S+ 0 0 2 -6,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.981 117.2 41.4 -59.7 -58.5 25.0 31.8 11.9 70 378 A M H X S+ 0 0 86 -4,-2.7 4,-2.0 2,-0.2 5,-0.2 0.930 115.8 51.0 -55.3 -51.1 23.6 35.3 11.5 71 379 A D H >X S+ 0 0 77 -4,-5.0 4,-2.8 1,-0.2 3,-0.9 0.965 112.7 43.9 -50.9 -62.7 22.8 34.6 7.8 72 380 A R H 3X S+ 0 0 12 -4,-3.0 4,-2.7 1,-0.3 5,-0.3 0.883 110.4 58.8 -49.8 -43.1 20.9 31.4 8.5 73 381 A L H 3X S+ 0 0 20 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.3 0.854 111.1 38.8 -58.1 -39.8 19.2 33.2 11.4 74 382 A E H > - 0 0 105 -2,-0.3 4,-2.1 1,-0.1 3,-1.0 -0.463 35.4-111.9 -68.9 147.1 18.9 22.0 6.6 90 398 A D H >> S+ 0 0 100 1,-0.3 4,-2.4 2,-0.2 3,-0.7 0.939 120.7 56.1 -44.9 -55.4 19.7 18.3 6.5 91 399 A T H 3> S+ 0 0 74 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.827 108.4 47.7 -45.3 -40.5 22.6 19.0 8.9 92 400 A E H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.3 0.846 109.4 53.4 -71.8 -36.3 20.1 20.6 11.3 93 401 A L H < S+ 0 0 34 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.932 109.7 56.9 -70.7 -43.2 17.5 11.3 21.7 102 410 A R H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 109.3 46.6 -55.0 -35.1 20.3 12.9 23.8 103 411 A N T 3< S+ 0 0 10 -4,-1.9 2,-2.0 291,-0.2 289,-0.4 0.421 76.6 118.8 -89.6 1.8 17.6 14.7 25.8 104 412 A A X - 0 0 27 -3,-1.9 3,-2.6 -4,-0.2 6,-0.2 -0.466 43.1-172.6 -71.5 85.4 15.4 11.7 26.4 105 413 A S T 3 S+ 0 0 21 -2,-2.0 262,-4.1 1,-0.3 -1,-0.2 0.583 80.2 56.2 -56.3 -11.4 15.6 11.6 30.2 106 414 A R T 3 S+ 0 0 54 260,-0.2 2,-0.6 264,-0.1 -1,-0.3 0.456 85.6 94.6-101.8 0.1 13.7 8.3 30.2 107 415 A C X - 0 0 40 -3,-2.6 3,-0.9 -6,-0.2 264,-0.1 -0.841 51.3-169.0 -99.6 117.9 16.1 6.4 28.0 108 416 A V T 3 S+ 0 0 25 -2,-0.6 3,-0.4 1,-0.2 -1,-0.1 0.700 83.2 63.1 -75.3 -19.2 18.8 4.3 29.7 109 417 A G T > + 0 0 29 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.204 60.7 117.7 -95.3 18.4 20.6 3.8 26.4 110 418 A R G X + 0 0 0 -3,-0.9 3,-2.6 1,-0.3 4,-0.2 0.593 52.1 86.1 -61.2 -9.9 21.6 7.3 25.5 111 419 A I G 3 S+ 0 0 45 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.810 91.6 53.3 -61.3 -21.1 25.3 6.7 25.7 112 420 A Q G X S+ 0 0 51 -3,-1.8 3,-2.0 1,-0.2 -1,-0.3 0.438 77.1 116.3 -87.6 -2.9 24.7 5.6 22.1 113 421 A W T < + 0 0 35 -3,-2.6 -1,-0.2 1,-0.3 -11,-0.1 0.741 69.6 50.2 -41.2 -44.9 23.0 8.9 21.2 114 422 A S T 3 S+ 0 0 56 -3,-0.3 2,-1.6 -4,-0.2 -1,-0.3 0.741 94.7 74.8 -72.8 -20.6 25.5 10.2 18.6 115 423 A K < + 0 0 117 -3,-2.0 2,-0.5 -17,-0.1 34,-0.3 -0.560 68.9 136.6 -91.1 73.1 25.6 6.9 16.6 116 424 A L - 0 0 20 -2,-1.6 2,-0.5 32,-0.1 34,-0.2 -0.975 48.5-143.6-124.4 122.0 22.1 7.5 15.0 117 425 A Q E -d 150 0D 77 32,-1.8 34,-1.8 -2,-0.5 2,-0.5 -0.719 21.0-156.8 -83.1 123.1 21.3 6.8 11.4 118 426 A V E -d 151 0D 19 -2,-0.5 2,-0.6 32,-0.2 34,-0.2 -0.909 7.5-161.5-108.2 128.4 18.8 9.5 10.2 119 427 A F E -d 152 0D 53 32,-2.9 34,-2.7 -2,-0.5 2,-1.1 -0.931 13.0-145.5-110.6 110.7 16.6 8.8 7.2 120 428 A D E +d 153 0D 55 -2,-0.6 3,-0.3 32,-0.2 34,-0.1 -0.622 28.8 165.4 -76.6 98.3 15.1 12.0 5.8 121 429 A A > + 0 0 0 32,-1.5 3,-1.2 -2,-1.1 -1,-0.1 -0.059 36.3 116.7-104.8 31.6 11.7 11.0 4.6 122 430 A R T 3 + 0 0 41 32,-0.3 -1,-0.2 1,-0.2 32,-0.1 0.747 64.9 65.8 -72.0 -22.0 10.4 14.5 4.2 123 431 A D T 3 S+ 0 0 119 -3,-0.3 -1,-0.2 32,-0.0 -2,-0.1 0.459 78.7 120.2 -77.9 2.5 9.8 14.1 0.4 124 432 A C < + 0 0 9 -3,-1.2 3,-0.1 1,-0.1 -3,-0.0 -0.383 31.1 166.6 -67.9 145.2 7.2 11.6 1.3 125 433 A T + 0 0 97 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.523 54.9 40.3-133.8 -16.2 3.6 12.3 0.1 126 434 A T S > S- 0 0 63 1,-0.1 4,-2.1 91,-0.0 -1,-0.2 -0.863 77.0-110.3-136.0 170.2 1.6 9.1 0.4 127 435 A A H > S+ 0 0 3 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.845 118.1 54.6 -67.7 -33.2 0.9 6.1 2.7 128 436 A H H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.948 106.3 50.5 -65.5 -46.0 2.6 3.8 0.2 129 437 A G H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 110.7 51.7 -54.8 -44.0 5.7 6.0 0.2 130 438 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.946 107.3 50.5 -59.1 -50.2 5.6 5.7 4.0 131 439 A F H X S+ 0 0 42 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.900 110.2 51.6 -55.8 -38.7 5.3 1.9 3.9 132 440 A N H X S+ 0 0 91 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.914 110.2 48.7 -63.3 -42.6 8.3 2.0 1.6 133 441 A Y H X S+ 0 0 54 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.866 110.3 50.2 -64.8 -39.3 10.3 4.1 4.0 134 442 A I H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.904 108.5 52.1 -69.0 -41.5 9.5 2.0 7.0 135 443 A C H X S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.893 109.8 48.6 -61.2 -43.0 10.5 -1.3 5.3 136 444 A N H X S+ 0 0 94 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.880 114.0 48.2 -65.1 -35.8 13.9 0.2 4.3 137 445 A H H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.904 111.0 48.9 -69.6 -46.5 14.3 1.4 7.9 138 446 A V H X S+ 0 0 0 -4,-3.3 4,-2.4 2,-0.2 5,-0.2 0.907 114.9 45.9 -60.3 -42.3 13.3 -2.0 9.4 139 447 A K H X S+ 0 0 139 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.927 113.2 47.7 -68.0 -46.2 15.7 -3.8 7.1 140 448 A Y H < S+ 0 0 64 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.859 117.8 41.9 -63.8 -38.4 18.6 -1.4 7.7 141 449 A A H < S+ 0 0 0 -4,-2.4 7,-1.9 1,-0.1 -2,-0.2 0.857 111.5 52.4 -79.8 -36.4 18.2 -1.5 11.5 142 450 A T H >< S+ 0 0 10 -4,-2.4 3,-2.1 -5,-0.3 -2,-0.2 0.950 79.0 179.2 -63.2 -44.7 17.6 -5.2 11.9 143 451 A N G >< S- 0 0 49 -4,-2.1 3,-1.6 1,-0.3 -3,-0.1 0.819 72.5 -59.5 46.7 43.4 20.8 -5.8 9.8 144 452 A K G 3 S- 0 0 206 1,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.740 109.5 -44.9 62.1 23.4 20.5 -9.6 10.1 145 453 A G G < S+ 0 0 1 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111.5 49.8 -95.0 16.3 28.8 -0.6 50.1 706 603 B R T < 5S- 0 0 32 -3,-1.5 -5,-0.2 -107,-0.1 -6,-0.1 0.099 127.5 -36.0-119.5-127.0 27.3 -2.9 52.8 707 604 B Y T 5 - 0 0 17 -7,-1.9 -6,-0.2 -8,-0.2 -5,-0.2 0.708 67.8-157.6 -77.7 -17.0 28.1 -6.6 53.4 708 605 B N < + 0 0 76 -5,-1.1 4,-0.3 -9,-0.3 -6,-0.2 0.902 31.2 156.0 42.3 68.4 28.4 -7.2 49.7 709 606 B I > + 0 0 2 -8,-1.7 4,-2.1 1,-0.1 5,-0.3 0.355 37.2 104.0-104.1 4.1 27.7 -11.0 49.9 710 607 B L H > S+ 0 0 2 -9,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.868 82.7 42.5 -54.7 -45.2 26.6 -11.4 46.3 711 608 B E H > S+ 0 0 102 2,-0.2 4,-3.0 1,-0.2 3,-0.5 0.981 112.5 50.0 -68.0 -57.1 29.8 -13.0 44.9 712 609 B E H > S+ 0 0 71 1,-0.3 4,-1.6 -4,-0.3 -1,-0.2 0.858 114.1 47.5 -50.1 -38.0 30.5 -15.4 47.8 713 610 B V H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.851 111.6 51.6 -73.0 -31.2 26.9 -16.6 47.5 714 611 B A H X>S+ 0 0 0 -4,-1.4 5,-1.2 -3,-0.5 4,-1.1 0.910 106.1 52.6 -71.3 -42.0 27.2 -16.9 43.8 715 612 B K H ><5S+ 0 0 124 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.979 108.7 50.3 -56.4 -57.7 30.4 -19.0 44.0 716 613 B K H 3<5S+ 0 0 102 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.778 112.4 46.6 -49.9 -36.1 28.8 -21.5 46.3 717 614 B M H 3<5S- 0 0 40 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.658 108.7-134.6 -80.2 -16.6 25.8 -21.9 44.0 718 615 B D T <<5 + 0 0 142 -3,-1.7 2,-0.3 -4,-1.1 -3,-0.2 0.997 39.0 171.5 57.0 69.2 28.3 -22.2 41.2 719 616 B L < - 0 0 32 -5,-1.2 2,-1.1 1,-0.0 -1,-0.1 -0.687 48.0 -92.0-101.3 160.0 26.6 -19.8 38.8 720 617 B D + 0 0 49 -2,-0.3 8,-0.4 1,-0.2 3,-0.3 -0.641 49.6 172.1 -75.0 105.0 28.2 -18.7 35.6 721 618 B M + 0 0 54 -2,-1.1 -1,-0.2 1,-0.2 3,-0.1 0.215 54.5 90.4-100.6 15.5 29.9 -15.5 36.8 722 619 B R S S+ 0 0 214 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.812 96.0 28.0 -78.6 -32.5 31.9 -14.9 33.5 723 620 B K > - 0 0 92 -3,-0.3 3,-2.2 1,-0.1 5,-0.4 -0.984 67.8-142.1-136.0 126.2 29.1 -12.8 32.0 724 621 B T G > S+ 0 0 53 -2,-0.4 3,-3.4 1,-0.3 4,-0.2 0.818 96.9 77.2 -51.8 -31.9 26.5 -10.6 33.8 725 622 B S G 3 S+ 0 0 13 1,-0.3 -1,-0.3 2,-0.1 -394,-0.1 0.514 80.4 68.8 -60.0 -2.9 24.0 -11.7 31.2 726 623 B S G < S- 0 0 14 -3,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 0.656 103.4-136.3 -85.8 -17.1 23.8 -15.1 33.0 727 624 B L <> + 0 0 1 -3,-3.4 4,-2.9 -4,-0.3 5,-0.2 0.854 50.8 152.6 65.7 36.3 22.1 -13.0 35.7 728 625 B W H > S+ 0 0 17 -8,-0.4 4,-2.9 -5,-0.4 5,-0.3 0.966 72.5 53.2 -60.9 -46.3 24.1 -14.7 38.4 729 626 B K H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 110.3 47.4 -53.4 -44.7 23.7 -11.6 40.5 730 627 B D H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.948 112.1 49.6 -63.2 -46.3 20.0 -11.7 40.1 731 628 B Q H X S+ 0 0 41 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.892 111.7 46.9 -60.3 -42.9 19.8 -15.4 40.9 732 629 B A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.899 106.6 59.1 -66.2 -41.3 21.9 -15.1 44.1 733 630 B L H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.3 5,-0.2 0.920 105.2 49.7 -54.4 -47.4 19.9 -12.1 45.3 734 631 B V H X S+ 0 0 6 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.934 111.0 48.0 -57.9 -48.6 16.7 -14.1 45.2 735 632 B E H X S+ 0 0 21 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.929 110.5 52.3 -59.6 -45.3 18.1 -17.0 47.2 736 633 B I H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.880 111.8 45.6 -59.5 -39.1 19.6 -14.7 49.8 737 634 B N H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.803 109.5 54.8 -73.7 -29.6 16.2 -13.0 50.3 738 635 B I H X S+ 0 0 13 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.880 107.6 52.3 -67.8 -37.9 14.5 -16.4 50.4 739 636 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -89,-0.5 0.872 107.5 50.0 -66.5 -40.2 17.0 -17.2 53.2 740 637 B V H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.948 113.4 44.8 -66.3 -49.2 16.2 -14.1 55.2 741 638 B L H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.934 114.1 51.1 -61.2 -43.7 12.4 -14.7 55.1 742 639 B Y H X S+ 0 0 90 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.938 110.0 47.8 -57.9 -52.8 12.8 -18.4 55.8 743 640 B S H X S+ 0 0 0 -4,-2.6 4,-2.5 -93,-0.4 -1,-0.2 0.948 112.4 48.9 -55.4 -51.8 15.0 -17.9 58.9 744 641 B F H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 4,-0.3 0.930 113.0 46.0 -57.7 -47.3 12.7 -15.2 60.4 745 642 B Q H ><5S+ 0 0 72 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.910 112.6 52.3 -62.5 -39.2 9.6 -17.3 60.0 746 643 B S H 3<5S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.845 112.6 43.5 -65.0 -36.6 11.4 -20.3 61.4 747 644 B D T 3<5S- 0 0 67 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.348 113.0-121.0 -91.2 8.0 12.5 -18.5 64.5 748 645 B K T < 5 + 0 0 176 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.2 0.822 62.0 146.5 56.6 37.2 9.0 -16.9 64.8 749 646 B V < - 0 0 7 -5,-2.4 -1,-0.2 -6,-0.2 -192,-0.2 -0.908 57.0-103.6-103.9 123.2 10.3 -13.3 64.5 750 647 B T + 0 0 37 -194,-3.2 -59,-0.4 -2,-0.5 2,-0.3 -0.119 57.3 145.4 -50.9 136.3 7.9 -11.0 62.7 751 648 B I - 0 0 24 -61,-0.1 2,-0.4 -193,-0.0 -59,-0.2 -0.942 31.1-146.6-167.5 151.7 8.8 -10.1 59.2 752 649 B V B -c 692 0U 31 -61,-2.0 -59,-3.2 -2,-0.3 2,-0.2 -0.978 15.3-127.7-130.3 142.6 7.0 -9.4 55.9 753 650 B D > - 0 0 10 -2,-0.4 4,-2.7 -61,-0.2 5,-0.2 -0.520 29.2-112.7 -84.1 158.0 7.9 -10.1 52.3 754 651 B H H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.653 114.4 56.8 -64.5 -17.5 7.8 -7.3 49.7 755 652 B H H > S+ 0 0 14 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.955 111.6 40.5 -76.6 -51.2 4.9 -8.9 47.9 756 653 B S H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.941 117.0 50.9 -59.4 -48.7 2.6 -9.0 50.9 757 654 B A H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.850 111.0 45.5 -59.3 -43.1 3.8 -5.5 52.0 758 655 B T H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.848 112.7 50.6 -73.0 -32.8 3.2 -3.8 48.7 759 656 B E H X S+ 0 0 104 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.944 111.9 47.8 -67.7 -48.7 -0.2 -5.3 48.2 760 657 B S H X S+ 0 0 42 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.929 110.4 52.5 -57.0 -46.1 -1.2 -4.3 51.7 761 658 B F H X S+ 0 0 1 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.887 105.0 54.8 -58.9 -40.9 0.1 -0.7 51.1 762 659 B I H X S+ 0 0 19 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.892 111.0 45.5 -58.8 -40.9 -1.9 -0.5 47.9 763 660 B K H X S+ 0 0 131 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 113.8 49.2 -67.6 -46.0 -5.1 -1.3 49.9 764 661 B H H X S+ 0 0 6 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.916 110.7 51.9 -57.3 -44.5 -4.1 1.1 52.6 765 662 B M H X S+ 0 0 1 -4,-3.3 4,-1.5 2,-0.2 -2,-0.2 0.954 109.4 46.5 -59.7 -52.9 -3.4 3.8 50.0 766 663 B E H >X S+ 0 0 42 -4,-2.4 4,-2.2 1,-0.2 3,-0.7 0.931 111.7 52.2 -54.6 -48.9 -6.8 3.4 48.3 767 664 B N H 3X S+ 0 0 92 -4,-2.5 4,-3.1 1,-0.3 5,-0.4 0.923 106.0 55.8 -52.8 -46.5 -8.5 3.5 51.7 768 665 B E H 3X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 6,-1.5 0.809 106.9 48.8 -58.7 -33.7 -6.6 6.7 52.5 769 666 B Y H > - 0 0 8 -262,-3.2 4,-2.7 -2,-0.3 3,-0.9 -0.859 13.3-164.0-102.6 104.7 7.3 8.6 47.4 779 676 B W H 3> S+ 0 0 17 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.888 85.6 62.7 -53.8 -47.5 7.5 6.1 44.6 780 677 B V H 34 S+ 0 0 17 1,-0.2 -1,-0.2 -336,-0.2 -335,-0.1 0.832 117.4 29.9 -50.1 -36.0 11.3 6.0 44.5 781 678 B W H <4 S+ 0 0 114 -3,-0.9 -1,-0.2 -265,-0.1 -2,-0.2 0.752 113.6 59.8 -96.7 -30.6 11.2 4.6 48.1 782 679 B I H < S+ 0 0 1 -4,-2.7 -3,-0.2 -266,-0.1 -2,-0.2 0.923 89.2 80.0 -66.6 -42.6 7.9 2.7 48.2 783 680 B V S < S- 0 0 14 -4,-2.2 5,-0.1 -5,-0.2 6,-0.1 -0.505 92.7-113.3 -68.5 126.7 8.9 0.3 45.3 784 681 B P - 0 0 6 0, 0.0 4,-0.2 0, 0.0 -407,-0.2 -0.183 19.8-112.9 -60.1 151.2 11.2 -2.5 46.7 785 682 B P S S+ 0 0 12 0, 0.0 -407,-1.8 0, 0.0 -406,-0.3 0.228 99.7 39.1 -72.1 14.8 14.9 -2.7 45.6 786 683 B M S S+ 0 0 3 -409,-0.2 -411,-0.1 -410,-0.2 -92,-0.1 -0.965 117.0 12.5-158.9 148.7 14.3 -6.0 43.8 787 684 B S S > S+ 0 0 5 -2,-0.3 3,-2.5 1,-0.1 4,-0.2 0.751 72.5 168.8 54.8 24.4 11.5 -7.4 41.5 788 685 B G G > + 0 0 6 1,-0.3 3,-1.3 -4,-0.2 6,-0.5 0.816 66.9 44.7 -34.6 -58.3 10.0 -3.9 41.3 789 686 B S G 3 S+ 0 0 2 -415,-2.3 -1,-0.3 1,-0.2 -414,-0.1 0.533 102.2 64.2 -75.4 -2.4 7.5 -4.5 38.6 790 687 B I G < S+ 0 0 15 -3,-2.5 -1,-0.2 -416,-0.3 -2,-0.2 0.249 92.9 75.3-100.5 16.6 6.1 -7.8 39.9 791 688 B T S X S- 0 0 0 -3,-1.3 3,-1.1 -4,-0.2 4,-0.5 -0.949 91.6-121.1-118.5 142.9 4.8 -5.9 43.0 792 689 B P G > S+ 0 0 30 0, 0.0 3,-0.6 0, 0.0 -374,-0.1 0.710 102.4 69.7 -57.8 -26.9 1.7 -3.7 42.5 793 690 B V G > S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 -10,-0.1 0.809 87.0 66.1 -65.2 -29.5 3.2 -0.4 43.6 794 691 B F G < S+ 0 0 30 -3,-1.1 -1,-0.2 -6,-0.5 -5,-0.1 0.898 104.2 45.8 -55.4 -42.4 5.4 -0.2 40.5 795 692 B H G < S+ 0 0 12 -3,-0.6 -378,-2.0 -4,-0.5 2,-0.5 0.341 96.1 97.3 -85.9 5.5 2.3 0.2 38.4 796 693 B Q B < -Q 416 0N 3 -3,-1.6 -380,-0.2 -380,-0.2 2,-0.2 -0.860 66.5-142.8-104.2 120.3 0.8 2.8 40.8 797 694 B E - 0 0 11 -382,-1.5 2,-0.3 -2,-0.5 -760,-0.1 -0.568 27.9-171.7 -75.4 146.2 1.1 6.5 40.2 798 695 B M - 0 0 2 -2,-0.2 -762,-0.5 -21,-0.1 2,-0.5 -0.894 22.3-135.3-137.9 164.1 1.6 8.5 43.4 799 696 B L - 0 0 0 -24,-0.5 -22,-2.1 -2,-0.3 2,-0.6 -0.990 17.0-155.4-123.9 126.4 1.8 12.1 44.6 800 697 B N B +C 33 0C 34 -767,-1.8 -767,-2.6 -2,-0.5 2,-0.3 -0.899 31.2 138.7-110.0 116.5 4.5 13.1 47.0 801 698 B Y - 0 0 2 -2,-0.6 2,-0.5 -769,-0.2 -285,-0.1 -0.960 46.5-105.5-147.7 161.5 3.8 16.1 49.2 802 699 B R + 0 0 83 -771,-0.4 -369,-0.8 -369,-0.3 -370,-0.6 -0.821 31.1 174.7-105.5 126.4 4.6 16.9 52.9 803 700 B L - 0 0 10 -2,-0.5 -372,-0.1 -289,-0.4 -289,-0.1 -0.844 29.2 -99.5-117.3 153.4 2.1 17.0 55.7 804 701 B T S S+ 0 0 22 -2,-0.3 2,-0.2 2,-0.1 -127,-0.1 -0.883 95.2 65.0-114.8 152.5 2.8 17.6 59.4 805 702 B P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -128,-0.2 0.529 87.8 156.9 -57.5 157.9 3.0 16.1 61.8 806 703 B S E -A 676 0T 10 -130,-1.6 -130,-3.0 -2,-0.2 2,-0.5 -0.999 48.7-118.6-158.2 161.0 6.2 14.6 60.2 807 704 B F E -A 675 0T 31 -296,-0.5 2,-0.3 -2,-0.3 -132,-0.2 -0.881 39.0-171.8-101.1 126.1 9.5 12.8 60.6 808 705 B E E -A 674 0T 38 -134,-3.1 -134,-2.7 -2,-0.5 2,-0.2 -0.793 25.4-111.5-118.5 162.7 12.4 14.9 59.3 809 706 B Y - 0 0 103 -2,-0.3 -136,-0.1 -136,-0.2 -361,-0.0 -0.521 34.5-168.9 -82.9 156.2 16.0 14.3 58.7 810 707 B Q - 0 0 23 -138,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.991 31.8 -88.2-146.1 147.5 18.3 16.2 60.9 811 708 B P - 0 0 86 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.282 54.3 -93.3 -58.7 141.6 22.1 16.7 60.7 812 709 B D > - 0 0 58 1,-0.1 3,-2.0 3,-0.1 4,-0.5 -0.307 35.4-127.6 -53.5 129.0 24.2 14.1 62.4 813 710 B P G >> S+ 0 0 3 0, 0.0 4,-3.2 0, 0.0 3,-1.1 0.760 102.8 66.0 -54.2 -29.4 24.9 15.4 65.9 814 711 B W G 34 S+ 0 0 49 1,-0.3 -2,-0.1 2,-0.2 -236,-0.0 0.728 99.1 55.1 -69.1 -16.4 28.7 14.9 65.7 815 712 B N G <4 S+ 0 0 111 -3,-2.0 -1,-0.3 1,-0.1 -3,-0.1 0.627 122.9 22.8 -87.6 -14.8 28.7 17.6 63.1 816 713 B T T <4 S+ 0 0 86 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.1 0.632 87.5 119.2-122.8 -23.3 27.0 20.2 65.2 817 714 B H < - 0 0 25 -4,-3.2 2,-0.9 -5,-0.2 -245,-0.0 -0.185 55.0-142.2 -54.4 130.6 27.5 19.3 68.8 818 715 B V - 0 0 113 -187,-0.1 -1,-0.1 -246,-0.0 -3,-0.0 -0.835 25.4-137.6 -93.3 103.5 29.3 21.9 70.9 819 716 B W - 0 0 111 -2,-0.9 -187,-0.0 1,-0.1 0, 0.0 -0.261 21.4-171.2 -62.6 148.6 31.4 19.7 73.2 820 717 B K 0 0 124 1,-0.1 -1,-0.1 0, 0.0 -188,-0.0 0.545 360.0 360.0-112.9 -17.8 31.7 20.6 76.9 821 718 B G 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.293 360.0 360.0 72.9 360.0 34.4 18.1 77.7