==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-SEP-03 1QWC . COMPND 2 MOLECULE: NITRIC-OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR R.FEDOROV,E.HARTMANN,D.K.GHOSH,I.SCHLICHTING . 420 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 0.2 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 . 37 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 3 1 0 0 2 0 0 0 0 1 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 3 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 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 1 297 A G 0 0 93 0, 0.0 4,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 168.9 -15.6 22.0 36.4 2 298 A P - 0 0 104 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.762 360.0 -33.2 -87.0 -26.9 -15.7 25.8 37.2 3 299 A R S S+ 0 0 117 15,-0.0 2,-0.8 1,-0.0 19,-0.1 0.267 126.2 83.0-168.3 -12.7 -14.9 25.3 40.9 4 300 A F S S- 0 0 77 17,-0.0 15,-0.2 16,-0.0 -1,-0.0 -0.793 74.2-150.4-107.5 86.2 -16.6 22.0 41.8 5 301 A L E -A 18 0A 66 -2,-0.8 13,-3.8 13,-0.7 2,-0.4 -0.125 5.9-141.5 -58.1 149.2 -14.1 19.4 40.6 6 302 A K E -A 17 0A 126 11,-0.3 2,-0.4 -5,-0.0 11,-0.2 -0.903 12.1-166.2-118.3 145.1 -15.2 16.0 39.4 7 303 A V E -A 16 0A 2 9,-2.0 9,-2.8 -2,-0.4 2,-0.4 -0.991 12.0-161.6-126.1 133.1 -13.7 12.6 39.9 8 304 A K E -A 15 0A 60 -2,-0.4 390,-1.8 7,-0.2 2,-0.7 -0.906 18.1-137.1-118.7 146.5 -14.9 9.6 37.9 9 305 A N B > -B 397 0B 4 5,-2.7 4,-2.1 -2,-0.4 388,-0.2 -0.920 18.0-157.2 -96.8 122.7 -14.6 5.9 38.5 10 306 A W T 4 S+ 0 0 144 386,-3.1 -1,-0.1 -2,-0.7 387,-0.1 0.635 87.1 47.3 -79.8 -12.4 -13.6 4.6 35.1 11 307 A E T 4 S+ 0 0 114 385,-0.3 -1,-0.2 382,-0.2 386,-0.1 0.820 128.2 24.5 -92.3 -36.5 -14.8 1.0 35.6 12 308 A T T 4 S- 0 0 61 384,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.574 95.3-134.2-101.5 -18.2 -18.2 1.9 37.1 13 309 A D < + 0 0 107 -4,-2.1 -3,-0.1 1,-0.2 0, 0.0 0.430 50.8 152.6 75.1 0.6 -18.6 5.4 35.5 14 310 A V - 0 0 57 -6,-0.1 -5,-2.7 -5,-0.1 2,-0.4 -0.220 30.1-152.1 -59.1 150.6 -19.7 6.9 38.8 15 311 A V E -A 8 0A 68 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.990 11.1-167.8-132.9 140.3 -18.9 10.6 39.3 16 312 A L E -A 7 0A 24 -9,-2.8 -9,-2.0 -2,-0.4 2,-0.5 -0.990 13.6-143.6-131.0 129.4 -18.3 12.6 42.4 17 313 A T E -A 6 0A 64 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.3 -0.798 17.6-147.2 -93.5 127.0 -18.2 16.4 42.7 18 314 A D E +A 5 0A 0 -13,-3.8 -13,-0.7 -2,-0.5 357,-0.2 -0.821 37.3 151.1-102.8 128.5 -15.6 17.8 45.2 19 315 A T > + 0 0 61 355,-3.0 3,-1.2 -2,-0.5 356,-0.2 0.461 64.6 81.1-120.5 -17.6 -16.2 21.0 47.2 20 316 A L G > S+ 0 0 6 354,-2.2 3,-1.9 1,-0.2 4,-0.2 0.768 76.5 70.5 -63.0 -29.6 -14.0 19.9 50.1 21 317 A H G > S+ 0 0 27 353,-0.3 3,-2.0 1,-0.3 -1,-0.2 0.759 82.7 72.9 -62.3 -23.7 -10.8 20.9 48.4 22 318 A L G < S+ 0 0 108 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.623 89.4 61.2 -67.7 -9.0 -11.7 24.5 48.8 23 319 A K G < S+ 0 0 143 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.498 82.9 108.7 -93.2 -6.0 -10.9 24.1 52.5 24 320 A S < + 0 0 42 -3,-2.0 380,-0.1 -4,-0.2 3,-0.0 -0.422 29.9 158.7 -73.6 145.3 -7.3 23.2 51.8 25 321 A T + 0 0 96 378,-0.9 -1,-0.1 -2,-0.1 2,-0.1 0.523 48.0 87.3-136.9 -27.6 -4.6 25.7 52.6 26 322 A L S S- 0 0 20 377,-0.8 377,-0.5 1,-0.1 2,-0.2 -0.446 82.8-108.1 -74.9 155.9 -1.4 23.7 52.8 27 323 A E - 0 0 115 17,-0.3 -1,-0.1 1,-0.1 17,-0.1 -0.517 13.2-150.6 -88.2 154.9 0.5 23.2 49.6 28 324 A T - 0 0 55 2,-0.3 16,-0.2 -2,-0.2 -1,-0.1 0.703 41.1-114.9 -92.7 -27.8 0.7 19.9 47.7 29 325 A G S S+ 0 0 13 1,-0.5 2,-0.2 15,-0.1 -2,-0.0 0.195 83.2 110.5 107.9 -14.0 4.1 20.5 46.1 30 326 A C - 0 0 47 5,-0.1 -1,-0.5 6,-0.1 -2,-0.3 -0.517 47.3-168.5 -88.3 158.2 2.6 20.5 42.6 31 327 A T - 0 0 82 3,-3.1 5,-0.1 -2,-0.2 -1,-0.1 -0.486 43.0 -89.9-126.9-160.4 2.3 23.7 40.5 32 328 A E S S+ 0 0 183 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.702 129.3 38.0 -87.9 -22.6 0.4 24.5 37.3 33 329 A H S S+ 0 0 157 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.247 120.9 41.5-109.6 9.0 3.5 23.3 35.3 34 330 A I - 0 0 89 2,-0.0 -3,-3.1 0, 0.0 2,-0.5 -0.974 57.9-151.8-161.0 141.9 4.5 20.4 37.4 35 331 A C + 0 0 104 -2,-0.3 3,-0.2 -5,-0.2 -5,-0.1 -0.969 11.4 176.3-119.8 129.6 3.1 17.4 39.3 36 332 A M > + 0 0 68 -2,-0.5 3,-1.9 1,-0.1 -1,-0.1 -0.074 39.8 127.5-114.8 29.1 4.8 15.9 42.3 37 333 A G T 3 S+ 0 0 30 1,-0.3 344,-0.2 -8,-0.0 -1,-0.1 0.652 75.5 48.6 -62.0 -16.0 2.1 13.4 43.1 38 334 A S T 3 S+ 0 0 96 -3,-0.2 2,-0.5 343,-0.1 -1,-0.3 0.208 85.0 108.6-108.8 13.8 4.7 10.5 43.1 39 335 A I < - 0 0 71 -3,-1.9 -3,-0.1 1,-0.1 0, 0.0 -0.802 60.0-149.0 -91.7 128.6 7.2 12.2 45.4 40 336 A M S S+ 0 0 120 -2,-0.5 -1,-0.1 1,-0.3 3,-0.0 0.965 89.4 20.2 -60.3 -61.1 7.4 10.7 48.9 41 337 A L + 0 0 83 1,-0.1 -1,-0.3 2,-0.1 5,-0.1 -0.704 64.3 173.4-113.4 76.4 8.3 13.7 51.0 42 338 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.529 39.3-139.2 -61.0 -2.2 7.3 16.7 48.8 43 339 A S + 0 0 79 1,-0.1 3,-0.3 2,-0.1 -14,-0.1 0.608 58.8 139.3 53.2 21.1 8.2 18.7 52.0 44 340 A Q S S- 0 0 68 1,-0.2 -17,-0.3 -16,-0.2 -1,-0.1 0.753 99.1 -6.9 -63.2 -18.1 5.3 21.1 51.8 45 341 A H S S+ 0 0 84 -19,-0.1 2,-0.8 2,-0.0 -1,-0.2 -0.062 82.4 146.9-167.9 44.9 5.2 20.5 55.5 46 342 A T - 0 0 33 -3,-0.3 -2,-0.1 1,-0.2 363,-0.0 -0.106 69.3-104.9 -81.0 39.8 7.6 17.8 56.4 47 343 A R - 0 0 24 -2,-0.8 -1,-0.2 364,-0.1 364,-0.1 0.148 31.7-120.3 60.0 165.6 8.2 19.6 59.7 48 344 A K - 0 0 128 2,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.976 3.7-139.8-136.3 150.6 11.3 21.7 60.4 49 345 A P S S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.713 75.6 102.3 -77.6 -23.3 13.9 21.3 63.2 50 346 A E S S- 0 0 108 -3,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.211 87.5 -47.7 -52.4 177.1 14.0 25.1 63.7 51 347 A D - 0 0 143 1,-0.1 2,-0.2 0, 0.0 3,-0.1 0.200 68.8 -95.3 -42.2 168.4 12.2 27.0 66.5 52 348 A V - 0 0 29 1,-0.2 -1,-0.1 118,-0.1 118,-0.0 -0.511 51.3 -80.2 -88.2 161.3 8.6 26.3 67.4 53 349 A R - 0 0 63 -2,-0.2 -1,-0.2 227,-0.2 2,-0.1 -0.152 54.8-123.2 -54.8 158.0 5.7 28.3 65.9 54 350 A T > - 0 0 65 -3,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.466 21.5 -96.0-104.8 176.3 5.1 31.6 67.7 55 351 A K H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 38,-0.1 0.883 123.8 45.2 -55.6 -45.3 2.3 33.3 69.5 56 352 A D H 4 S+ 0 0 143 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.945 117.1 43.6 -66.2 -48.7 1.3 35.3 66.4 57 353 A Q H > S+ 0 0 105 1,-0.2 4,-0.8 2,-0.1 -2,-0.2 0.738 113.3 58.1 -67.6 -22.3 1.5 32.3 64.1 58 354 A L H X S+ 0 0 9 -4,-2.1 4,-2.7 2,-0.1 5,-0.2 0.936 95.7 54.2 -77.5 -50.2 -0.3 30.2 66.7 59 355 A F H X S+ 0 0 45 -4,-1.9 4,-3.6 2,-0.2 5,-0.2 0.879 106.0 51.3 -57.3 -43.2 -3.6 31.9 67.3 60 356 A P H > S+ 0 0 76 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.972 114.3 45.0 -58.6 -48.4 -4.8 32.0 63.7 61 357 A L H X S+ 0 0 48 -4,-0.8 4,-1.8 1,-0.2 219,-0.3 0.902 115.2 47.7 -59.8 -41.8 -4.1 28.3 63.4 62 358 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.910 112.8 49.5 -65.5 -42.1 -5.7 27.6 66.8 63 359 A K H X S+ 0 0 75 -4,-3.6 4,-2.9 -5,-0.2 5,-0.3 0.935 105.9 56.4 -62.6 -47.2 -8.7 29.7 65.8 64 360 A E H X S+ 0 0 68 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.915 109.4 45.6 -49.1 -52.0 -9.1 27.9 62.4 65 361 A F H X S+ 0 0 2 -4,-1.8 4,-3.4 1,-0.2 -1,-0.2 0.917 114.2 48.1 -60.8 -45.0 -9.4 24.5 64.2 66 362 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.3 5,-0.2 0.847 110.8 49.7 -66.9 -35.8 -11.9 25.9 66.8 67 363 A D H X S+ 0 0 30 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.897 115.0 47.1 -67.6 -38.2 -14.0 27.5 64.1 68 364 A Q H X S+ 0 0 47 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.3 0.923 112.6 48.8 -66.8 -46.8 -13.8 24.1 62.4 69 365 A Y H >X S+ 0 0 31 -4,-3.4 4,-1.4 1,-0.2 3,-0.7 0.969 112.9 44.4 -58.4 -57.6 -14.7 22.2 65.6 70 366 A Y H 3<>S+ 0 0 13 -4,-2.6 5,-3.4 1,-0.3 6,-0.4 0.764 110.1 56.9 -61.9 -24.0 -17.7 24.3 66.6 71 367 A S H ><5S+ 0 0 59 -4,-1.2 3,-1.5 4,-0.2 -1,-0.3 0.844 101.1 58.8 -73.1 -32.0 -18.9 24.2 63.0 72 368 A S H <<5S+ 0 0 37 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.913 109.9 41.3 -61.4 -44.0 -18.8 20.4 63.3 73 369 A I T 3<5S- 0 0 72 -4,-1.4 -1,-0.3 1,-0.0 -2,-0.2 0.111 118.3-112.2 -91.6 22.5 -21.3 20.5 66.2 74 370 A K T < 5S+ 0 0 178 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.922 87.9 115.4 47.0 53.6 -23.4 23.2 64.5 75 371 A R > < + 0 0 134 -5,-3.4 3,-1.7 -6,-0.1 6,-0.3 -0.002 34.5 156.6-136.1 25.5 -22.4 25.8 67.1 76 372 A F T 3 S+ 0 0 131 -6,-0.4 -9,-0.1 1,-0.3 -8,-0.0 -0.391 73.1 8.1 -62.4 121.1 -20.4 28.2 64.9 77 373 A G T 3 S+ 0 0 43 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.724 94.1 151.5 81.9 22.3 -20.3 31.7 66.5 78 374 A S <> - 0 0 14 -3,-1.7 4,-2.9 1,-0.1 5,-0.2 -0.298 63.8-108.8 -78.5 169.2 -21.9 30.5 69.8 79 375 A K H > S+ 0 0 157 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.935 125.6 48.7 -60.7 -42.6 -21.3 32.2 73.1 80 376 A A H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.918 110.2 48.7 -60.9 -50.8 -19.3 29.0 73.9 81 377 A H H > S+ 0 0 2 -6,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.977 115.2 45.4 -53.9 -58.6 -17.4 29.1 70.7 82 378 A M H X S+ 0 0 92 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.845 113.6 47.6 -55.9 -42.7 -16.5 32.8 71.2 83 379 A D H X S+ 0 0 68 -4,-2.7 4,-3.3 2,-0.2 -1,-0.2 0.871 110.2 53.2 -69.7 -35.8 -15.5 32.4 74.9 84 380 A R H X S+ 0 0 8 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.916 109.1 50.8 -62.9 -42.4 -13.4 29.4 74.0 85 381 A L H X S+ 0 0 8 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.947 112.8 43.0 -61.6 -49.8 -11.7 31.5 71.4 86 382 A E H X S+ 0 0 83 -4,-2.4 4,-3.8 2,-0.2 5,-0.3 0.942 111.6 58.4 -62.1 -41.7 -11.0 34.3 73.9 87 383 A E H X S+ 0 0 97 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.945 112.9 36.8 -46.9 -60.1 -10.0 31.6 76.4 88 384 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.821 115.2 54.9 -65.9 -34.1 -7.3 30.2 74.1 89 385 A N H X S+ 0 0 50 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.971 113.3 42.9 -62.2 -50.1 -6.3 33.7 72.9 90 386 A K H X S+ 0 0 124 -4,-3.8 4,-1.5 1,-0.2 -2,-0.2 0.919 114.7 50.0 -59.5 -46.9 -5.8 34.7 76.5 91 387 A E H X S+ 0 0 65 -4,-3.0 4,-1.8 -5,-0.3 6,-0.6 0.832 110.5 50.0 -64.9 -32.5 -4.0 31.4 77.3 92 388 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 4,-0.2 -1,-0.2 0.907 104.2 58.5 -72.9 -40.9 -1.7 31.8 74.3 93 389 A E H < S+ 0 0 116 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.890 116.4 33.3 -53.5 -44.8 -0.7 35.4 75.2 94 390 A S H < S+ 0 0 96 -4,-1.5 -2,-0.2 3,-0.1 -1,-0.1 0.982 132.2 27.0 -76.1 -60.8 0.6 34.4 78.6 95 391 A T H < S- 0 0 78 -4,-1.8 -3,-0.2 2,-0.3 -2,-0.2 0.516 92.2-128.1 -83.4 -8.0 2.0 30.9 78.1 96 392 A S S < S+ 0 0 70 -4,-2.7 2,-0.2 1,-0.3 -4,-0.2 0.490 89.9 49.5 71.7 -0.1 2.9 31.1 74.3 97 393 A T S S- 0 0 29 -6,-0.6 -1,-0.3 -5,-0.1 -2,-0.3 -0.643 70.5-147.6-144.4-161.6 0.9 27.9 74.0 98 394 A Y - 0 0 0 -2,-0.2 2,-0.4 -3,-0.1 -10,-0.1 -0.900 15.1-121.2-177.3 153.2 -2.5 26.4 75.0 99 395 A Q - 0 0 83 -2,-0.3 2,-0.2 182,-0.0 -8,-0.0 -0.899 26.0-125.4-111.0 132.1 -4.0 23.1 76.0 100 396 A L - 0 0 6 -2,-0.4 -2,-0.0 1,-0.1 5,-0.0 -0.474 26.3-114.2 -74.7 141.1 -6.9 21.4 74.1 101 397 A K > - 0 0 105 -2,-0.2 4,-1.6 1,-0.1 -1,-0.1 -0.280 36.8-105.1 -65.2 164.0 -10.0 20.4 75.9 102 398 A D H > S+ 0 0 96 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.811 120.6 50.5 -66.3 -30.3 -10.5 16.6 76.0 103 399 A T H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.917 108.1 52.5 -72.3 -43.7 -13.2 16.6 73.4 104 400 A E H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.852 105.8 55.4 -59.6 -34.9 -11.2 18.8 71.0 105 401 A L H X S+ 0 0 2 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.837 109.6 45.8 -68.1 -33.7 -8.3 16.3 71.3 106 402 A I H X S+ 0 0 72 -4,-1.0 4,-2.9 -3,-0.4 5,-0.3 0.913 112.6 49.3 -76.0 -43.2 -10.5 13.5 70.2 107 403 A Y H X S+ 0 0 31 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.950 113.6 47.9 -57.5 -51.1 -12.0 15.4 67.3 108 404 A G H X S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.861 113.6 46.6 -58.9 -40.6 -8.6 16.4 66.2 109 405 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 3,-0.3 0.943 113.2 47.7 -68.7 -49.6 -7.2 12.9 66.4 110 406 A K H X S+ 0 0 58 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.902 115.0 47.2 -57.8 -42.6 -10.1 11.3 64.6 111 407 A H H X S+ 0 0 13 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.736 101.3 62.2 -74.5 -22.6 -9.9 13.9 61.9 112 408 A A H < S+ 0 0 0 -4,-1.3 296,-0.5 -3,-0.3 4,-0.4 0.881 112.0 41.3 -67.0 -35.8 -6.2 13.7 61.4 113 409 A W H < S+ 0 0 36 -4,-1.4 3,-0.5 2,-0.2 -2,-0.2 0.844 111.2 55.1 -76.8 -38.0 -6.9 10.1 60.4 114 410 A R H < S+ 0 0 29 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.807 114.5 42.4 -65.2 -28.7 -10.0 11.1 58.4 115 411 A N S < S+ 0 0 2 -4,-1.9 2,-1.4 291,-0.2 289,-0.4 0.511 78.4 117.9 -96.4 -7.4 -7.7 13.5 56.5 116 412 A A > - 0 0 24 -3,-0.5 3,-1.5 -4,-0.4 6,-0.1 -0.455 47.5-167.1 -62.9 92.7 -4.8 11.2 56.0 117 413 A S T 3 S+ 0 0 7 -2,-1.4 262,-2.5 1,-0.2 -1,-0.2 0.752 81.6 54.3 -54.8 -27.8 -4.8 11.1 52.2 118 414 A R T 3 S+ 0 0 53 260,-0.2 2,-0.5 264,-0.1 -1,-0.2 0.596 86.4 94.1 -85.0 -12.7 -2.4 8.1 52.1 119 415 A C X - 0 0 42 -3,-1.5 3,-0.6 -6,-0.2 264,-0.1 -0.720 50.6-170.2 -86.9 120.6 -4.5 5.7 54.4 120 416 A V T 3 S+ 0 0 23 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.623 80.4 64.5 -83.7 -11.3 -6.8 3.3 52.6 121 417 A G T > + 0 0 31 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 0.093 60.0 120.2-100.8 26.6 -8.5 2.2 55.9 122 418 A R G X + 0 0 0 -3,-0.6 3,-2.4 1,-0.3 4,-0.2 0.552 52.0 84.9 -66.6 -10.0 -10.1 5.5 56.8 123 419 A I G 3 S+ 0 0 50 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.724 90.7 54.9 -63.3 -18.6 -13.6 4.0 56.7 124 420 A Q G X S+ 0 0 58 -3,-1.8 3,-2.4 1,-0.2 -1,-0.3 0.474 77.3 113.0 -88.6 -5.7 -12.6 3.1 60.3 125 421 A W T < S+ 0 0 41 -3,-2.4 -1,-0.2 1,-0.3 -11,-0.2 0.703 71.8 50.4 -39.2 -40.0 -11.8 6.8 61.1 126 422 A S T 3 S+ 0 0 60 -3,-0.3 2,-1.0 -4,-0.2 -1,-0.3 0.647 97.6 72.5 -80.2 -15.3 -14.6 7.4 63.6 127 423 A K < + 0 0 130 -3,-2.4 2,-0.4 -17,-0.1 34,-0.2 -0.757 68.7 133.0-103.2 88.8 -13.8 4.3 65.6 128 424 A L - 0 0 26 -2,-1.0 2,-0.6 32,-0.1 34,-0.2 -1.000 49.4-139.0-140.6 134.0 -10.6 5.3 67.4 129 425 A Q E -c 162 0C 67 32,-1.4 34,-2.4 -2,-0.4 2,-0.6 -0.827 19.9-156.7 -93.8 123.6 -9.5 5.0 71.0 130 426 A V E -c 163 0C 19 -2,-0.6 2,-0.8 32,-0.2 34,-0.2 -0.902 4.1-163.4-106.2 119.5 -7.6 8.1 72.2 131 427 A F E -c 164 0C 47 32,-3.0 34,-2.8 -2,-0.6 2,-1.0 -0.877 14.1-144.3-103.7 108.4 -5.3 7.7 75.1 132 428 A D E +c 165 0C 49 -2,-0.8 3,-0.3 32,-0.2 34,-0.1 -0.598 30.8 163.6 -75.7 101.3 -4.4 11.0 76.6 133 429 A A > + 0 0 0 32,-2.0 3,-1.9 -2,-1.0 -1,-0.2 0.143 35.8 118.3-103.0 18.7 -0.8 10.7 77.7 134 430 A R T 3 + 0 0 28 32,-0.3 -1,-0.2 1,-0.3 32,-0.1 0.699 69.4 59.5 -58.4 -23.1 -0.3 14.5 78.0 135 431 A D T 3 S+ 0 0 110 -3,-0.3 -1,-0.3 32,-0.1 -2,-0.1 0.605 79.8 116.1 -83.5 -11.2 0.5 14.2 81.8 136 432 A C < + 0 0 8 -3,-1.9 3,-0.1 1,-0.1 -3,-0.0 -0.193 32.3 168.6 -56.3 148.3 3.5 11.9 81.1 137 433 A T + 0 0 91 1,-0.1 2,-0.3 93,-0.1 -1,-0.1 0.420 54.5 51.2-140.1 -9.9 6.9 13.3 82.1 138 434 A T S > S- 0 0 69 1,-0.1 4,-1.6 91,-0.1 -1,-0.1 -0.834 75.1-119.2-131.3 167.6 9.3 10.4 81.8 139 435 A A H > S+ 0 0 1 -2,-0.3 4,-3.5 2,-0.2 5,-0.1 0.857 117.7 53.5 -71.7 -36.3 10.5 7.6 79.5 140 436 A H H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 109.9 46.9 -64.2 -38.8 9.3 5.1 82.0 141 437 A G H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.841 113.1 49.7 -70.9 -33.9 5.9 6.7 82.1 142 438 A M H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.924 108.4 53.0 -67.8 -44.9 6.1 6.7 78.3 143 439 A F H X S+ 0 0 39 -4,-3.5 4,-2.3 1,-0.2 -2,-0.2 0.937 109.4 49.9 -54.7 -47.4 7.0 3.0 78.3 144 440 A N H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.886 110.0 47.8 -59.1 -46.8 3.9 2.4 80.5 145 441 A Y H X S+ 0 0 55 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.904 112.1 52.0 -62.5 -40.8 1.5 4.2 78.3 146 442 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.921 107.6 50.9 -62.7 -43.8 2.9 2.4 75.3 147 443 A C H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.899 110.0 49.4 -59.6 -44.3 2.5 -1.0 77.0 148 444 A N H X S+ 0 0 89 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.877 110.8 51.6 -63.0 -37.3 -1.1 -0.3 77.8 149 445 A H H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.969 109.6 48.6 -62.8 -55.7 -1.6 0.8 74.2 150 446 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.932 115.5 43.8 -48.9 -54.8 -0.1 -2.5 72.8 151 447 A K H X S+ 0 0 137 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.928 115.8 47.8 -58.5 -49.3 -2.2 -4.6 75.1 152 448 A Y H < S+ 0 0 63 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.951 116.9 41.9 -56.0 -54.9 -5.4 -2.6 74.5 153 449 A A H < S+ 0 0 0 -4,-3.2 7,-2.0 1,-0.2 -2,-0.2 0.884 112.9 51.1 -63.5 -45.9 -5.0 -2.6 70.7 154 450 A T H >< S- 0 0 12 -4,-2.9 3,-0.9 -5,-0.3 4,-0.3 0.926 78.2-178.3 -60.5 -43.5 -3.9 -6.2 70.3 155 451 A N G >< S- 0 0 47 -4,-2.2 3,-2.1 -5,-0.3 -3,-0.1 0.885 73.8 -56.5 45.9 49.6 -6.9 -7.2 72.3 156 452 A K G 3 S- 0 0 208 -5,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.875 109.4 -45.5 48.7 46.0 -5.8 -10.9 72.1 157 453 A G G < S+ 0 0 3 -3,-0.9 194,-2.0 1,-0.1 2,-1.0 0.220 120.9 104.0 88.0 -16.5 -5.8 -10.8 68.3 158 454 A N S < S- 0 0 106 -3,-2.1 -1,-0.1 -4,-0.3 192,-0.1 -0.427 72.1-151.1 -94.2 57.3 -9.1 -9.0 68.0 159 455 A L - 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0 0 52 -2,-0.1 -1,-0.2 1,-0.1 -118,-0.1 0.675 43.4-101.0-120.5 -62.9 6.4 23.7 73.6 171 467 A D S S+ 0 0 114 -120,-0.1 4,-0.2 -119,-0.0 -1,-0.1 -0.382 98.1 5.0 171.6 -83.2 9.8 25.3 73.0 172 468 A G S S+ 0 0 54 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.763 114.9 73.8 -96.9 -33.6 12.4 24.8 75.7 173 469 A K S S- 0 0 150 1,-0.1 -1,-0.1 -4,-0.0 -4,-0.0 0.901 104.2-133.9 -45.0 -44.3 10.4 22.4 77.9 174 470 A H - 0 0 81 58,-0.1 57,-0.3 2,-0.0 58,-0.2 0.088 11.1 -61.1 113.9 163.7 11.2 19.9 75.2 175 471 A D - 0 0 30 56,-0.2 57,-2.5 -4,-0.2 2,-0.5 -0.351 24.3-150.3 -83.4 138.8 10.1 17.1 72.8 176 472 A F + 0 0 6 -9,-0.4 2,-0.4 55,-0.2 54,-0.2 -0.944 27.5 174.0-105.9 122.9 8.7 13.7 73.4 177 473 A R E -G 229 0D 9 52,-1.8 52,-2.1 -2,-0.5 2,-1.1 -0.990 34.5-146.0-138.0 125.2 9.8 11.3 70.6 178 474 A V E -G 228 0D 0 94,-0.4 50,-0.2 -2,-0.4 108,-0.1 -0.830 22.5-154.1 -82.1 104.3 9.3 7.6 70.3 179 475 A W + 0 0 16 48,-1.9 2,-0.3 -2,-1.1 -1,-0.2 0.592 65.7 95.3 -61.6 -7.3 12.6 7.1 68.5 180 476 A N S S- 0 0 5 47,-0.3 3,-0.1 92,-0.2 -2,-0.1 -0.622 73.3-140.3 -89.2 146.4 11.1 4.0 66.9 181 477 A S S S+ 0 0 31 1,-0.3 91,-2.7 -2,-0.3 92,-0.8 0.921 93.3 6.5 -65.5 -48.0 9.5 4.0 63.5 182 478 A Q B S-E 271 0C 31 89,-0.3 -1,-0.3 90,-0.2 89,-0.2 -0.966 79.8-117.5-133.1 149.0 6.8 1.6 64.6 183 479 A L S S+ 0 0 1 87,-2.1 2,-0.5 -2,-0.3 -1,-0.1 0.941 106.5 37.9 -51.5 -52.4 6.2 0.4 68.2 184 480 A I S S+ 0 0 1 84,-0.3 2,-0.3 86,-0.2 86,-0.3 -0.910 78.2 135.7-109.0 121.8 6.8 -3.2 67.1 185 481 A R - 0 0 34 -2,-0.5 39,-2.8 39,-0.2 2,-0.3 -0.974 46.1-108.8-155.0 162.8 9.6 -4.0 64.5 186 482 A Y B -I 223 0E 1 -2,-0.3 37,-0.2 37,-0.3 20,-0.1 -0.692 33.0-114.5 -99.1 150.9 12.4 -6.4 63.9 187 483 A A - 0 0 0 35,-2.1 12,-0.6 -2,-0.3 2,-0.4 -0.284 20.8-149.5 -77.1 165.5 16.1 -5.6 64.1 188 484 A G E -J 198 0F 1 14,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.995 7.2-162.5-139.6 132.2 18.6 -5.7 61.2 189 485 A Y E -J 197 0F 4 8,-3.3 8,-2.9 -2,-0.4 2,-0.9 -0.964 19.2-133.0-122.7 129.6 22.3 -6.6 61.4 190 486 A K E -J 196 0F 140 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.674 29.7-144.6 -78.6 106.2 25.0 -5.8 58.8 191 487 A Q > - 0 0 53 4,-2.2 3,-1.2 -2,-0.9 -1,-0.0 -0.403 14.4-125.6 -72.2 147.3 26.9 -9.1 58.5 192 488 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.732 109.7 63.7 -63.6 -24.2 30.7 -9.0 57.8 193 489 A D T 3 S- 0 0 117 2,-0.1 2,-1.2 1,-0.1 3,-0.1 0.021 124.4-101.8 -89.4 24.8 30.2 -11.2 54.8 194 490 A G S < S+ 0 0 62 -3,-1.2 -3,-0.2 1,-0.2 -1,-0.1 -0.312 89.4 115.5 86.5 -52.5 28.1 -8.4 53.1 195 491 A S - 0 0 67 -2,-1.2 -4,-2.2 -5,-0.1 2,-0.4 0.132 59.3-135.3 -46.5 162.0 24.7 -10.1 53.9 196 492 A T E -J 190 0F 54 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.995 8.1-144.7-127.7 125.2 22.2 -8.5 56.3 197 493 A L E -J 189 0F 57 -8,-2.9 -8,-3.3 -2,-0.4 22,-0.1 -0.786 65.1 -10.6 -92.5 131.9 20.4 -10.5 59.0 198 494 A G E S-J 188 0F 5 -2,-0.5 -10,-0.2 -10,-0.2 23,-0.1 -0.017 119.2 -5.7 75.2 179.2 16.8 -9.4 59.6 199 495 A D > - 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