==== 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 16-FEB-04 1VAG . COMPND 2 MOLECULE: NITRIC-OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR R.FEDOROV,R.VASAN,D.K.GHOSH,I.SCHLICHTING . 420 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 64.5 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 . 42 10.0 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 . 45 10.7 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 2 1 0 1 0 1 0 0 0 1 0 0 1 1 2 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 . 4 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 68 0, 0.0 2,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 144.3 -17.1 22.8 37.4 2 298 A P - 0 0 118 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.037 360.0 -9.3 -71.6 31.1 -15.8 26.4 37.9 3 299 A R S S+ 0 0 121 -2,-1.0 2,-0.9 1,-0.1 19,-0.1 0.038 120.1 87.9 166.7 -32.6 -15.1 25.5 41.5 4 300 A F - 0 0 74 13,-0.0 2,-0.2 15,-0.0 15,-0.2 -0.795 66.6-154.1 -93.6 101.7 -16.7 22.1 42.0 5 301 A L E -A 18 0A 73 13,-1.4 13,-3.5 -2,-0.9 2,-0.4 -0.498 6.1-146.3 -76.8 142.3 -14.1 19.5 41.0 6 302 A K E -A 17 0A 118 11,-0.2 2,-0.4 -2,-0.2 11,-0.2 -0.921 11.8-168.6-115.2 135.9 -15.3 16.1 39.8 7 303 A V E -A 16 0A 2 9,-2.0 9,-3.0 -2,-0.4 2,-0.3 -0.967 13.8-161.4-117.9 135.6 -13.7 12.7 40.3 8 304 A K E -A 15 0A 49 -2,-0.4 390,-2.2 7,-0.2 2,-0.6 -0.844 18.9-135.1-118.6 155.2 -15.0 9.8 38.3 9 305 A N B > -B 397 0B 3 5,-2.5 4,-1.8 -2,-0.3 388,-0.2 -0.945 14.4-160.1-103.0 122.3 -14.7 6.0 38.7 10 306 A W T 4 S+ 0 0 150 386,-2.8 387,-0.1 -2,-0.6 -1,-0.1 0.571 88.6 53.4 -81.6 -5.9 -13.9 4.6 35.2 11 307 A E T 4 S+ 0 0 117 385,-0.4 -1,-0.2 382,-0.2 386,-0.1 0.832 127.6 17.6 -92.0 -38.1 -15.1 1.2 36.2 12 308 A T T 4 S- 0 0 74 384,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.471 94.0-131.5-110.6 -8.2 -18.6 2.2 37.4 13 309 A D < + 0 0 106 -4,-1.8 2,-0.2 1,-0.2 -3,-0.1 0.555 52.7 151.3 66.0 10.2 -18.8 5.6 35.8 14 310 A V - 0 0 65 -5,-0.1 -5,-2.5 -6,-0.1 2,-0.4 -0.490 30.1-156.9 -71.0 139.3 -19.9 7.2 39.1 15 311 A V E -A 8 0A 65 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.966 6.3-164.2-122.2 139.4 -18.9 10.8 39.4 16 312 A L E -A 7 0A 30 -9,-3.0 -9,-2.0 -2,-0.4 2,-0.5 -0.874 14.2-133.5-122.3 154.1 -18.5 12.7 42.6 17 313 A T E -A 6 0A 54 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.936 15.6-154.8-113.0 123.2 -18.3 16.5 43.3 18 314 A D E +A 5 0A 0 -13,-3.5 -13,-1.4 -2,-0.5 357,-0.2 -0.849 33.1 149.4-102.2 121.1 -15.6 17.8 45.6 19 315 A T > + 0 0 52 355,-2.9 3,-1.7 -2,-0.6 356,-0.2 0.494 63.0 82.1-117.2 -20.0 -16.1 21.1 47.5 20 316 A L G > S+ 0 0 6 354,-2.2 3,-2.0 1,-0.3 355,-0.1 0.766 75.5 71.5 -58.8 -29.8 -14.0 20.0 50.5 21 317 A H G > S+ 0 0 34 353,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.752 82.4 73.9 -60.5 -22.3 -10.8 21.0 48.7 22 318 A L G < S+ 0 0 106 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.615 89.7 59.6 -66.5 -12.1 -11.8 24.7 49.2 23 319 A K G < S+ 0 0 151 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.3 0.357 81.1 107.1 -97.5 3.2 -10.9 24.3 52.8 24 320 A S < + 0 0 40 -3,-1.8 380,-0.2 1,-0.1 -3,-0.0 -0.666 30.9 163.8 -85.8 136.4 -7.3 23.4 52.2 25 321 A T + 0 0 100 378,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.514 50.9 91.0-123.2 -18.4 -4.7 26.1 53.0 26 322 A L S S- 0 0 37 377,-0.7 377,-0.5 1,-0.1 2,-0.2 -0.504 79.7-109.4 -81.8 151.3 -1.5 23.9 53.0 27 323 A E - 0 0 121 17,-0.4 -1,-0.1 -2,-0.2 17,-0.1 -0.534 14.4-158.2 -84.2 146.4 0.5 23.4 49.9 28 324 A T - 0 0 55 2,-0.2 -1,-0.1 -2,-0.2 16,-0.1 0.707 42.9-113.5 -92.7 -26.0 0.7 20.1 48.0 29 325 A G S S+ 0 0 11 1,-0.5 2,-0.2 15,-0.1 -2,-0.1 0.243 82.1 110.3 109.1 -12.0 4.0 20.7 46.2 30 326 A C - 0 0 49 5,-0.1 -1,-0.5 6,-0.1 2,-0.3 -0.556 45.8-169.0 -92.8 160.7 2.5 20.8 42.8 31 327 A T B > -C 34 0C 72 3,-2.6 3,-0.6 -2,-0.2 5,-0.0 -0.832 44.2 -92.6-137.3 173.3 2.2 23.9 40.6 32 328 A E T 3 S+ 0 0 175 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.675 126.9 44.1 -66.6 -13.5 0.2 24.5 37.4 33 329 A H T 3 S+ 0 0 175 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.620 119.0 31.5-104.9 -15.4 3.4 23.6 35.5 34 330 A I B < -C 31 0C 102 -3,-0.6 -3,-2.6 -5,-0.0 2,-0.5 -1.000 61.4-145.3-147.8 143.0 4.5 20.5 37.4 35 331 A C - 0 0 105 -2,-0.3 3,-0.2 -5,-0.2 -5,-0.1 -0.927 10.9-179.1-111.3 124.4 3.0 17.6 39.3 36 332 A M > + 0 0 53 -2,-0.5 3,-1.9 1,-0.2 -1,-0.1 -0.005 39.8 129.2-107.7 29.8 4.8 16.2 42.3 37 333 A G T 3 S+ 0 0 31 1,-0.3 344,-0.2 -8,-0.0 -1,-0.2 0.656 73.0 47.3 -58.8 -19.9 2.2 13.5 43.1 38 334 A S T 3 S+ 0 0 96 -3,-0.2 2,-0.5 343,-0.1 -1,-0.3 0.199 82.3 112.5-109.2 16.3 4.8 10.7 43.3 39 335 A I < - 0 0 74 -3,-1.9 -3,-0.1 1,-0.1 0, 0.0 -0.789 57.8-150.6 -89.7 127.4 7.3 12.4 45.5 40 336 A M S S+ 0 0 127 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.911 90.2 20.2 -61.7 -48.5 7.5 10.7 48.9 41 337 A L + 0 0 87 1,-0.1 -1,-0.3 2,-0.1 5,-0.0 -0.707 62.6 174.5-125.6 76.9 8.5 13.8 50.9 42 338 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.365 44.5-132.0 -66.6 13.1 7.5 16.9 48.8 43 339 A S + 0 0 86 1,-0.1 -2,-0.1 2,-0.1 -14,-0.1 0.854 62.8 138.1 35.0 60.5 8.7 18.7 52.0 44 340 A Q S S- 0 0 68 -16,-0.1 -17,-0.4 -17,-0.1 -1,-0.1 0.430 91.0 -12.2-106.8 -5.1 5.6 20.9 52.1 45 341 A H S S+ 0 0 51 -19,-0.1 2,-1.8 2,-0.1 365,-0.2 0.164 77.2 150.8 175.8 32.3 5.2 20.6 55.9 46 342 A T S S- 0 0 38 363,-0.1 363,-0.0 1,-0.1 -3,-0.0 -0.002 76.6 -90.2 -70.4 35.8 7.6 17.8 56.9 47 343 A R - 0 0 13 -2,-1.8 -1,-0.1 364,-0.1 -2,-0.1 0.909 43.6-105.2 52.3 108.2 7.8 19.6 60.3 48 344 A K - 0 0 130 1,-0.2 -1,-0.1 363,-0.1 363,-0.0 -0.366 14.8-148.9 -61.4 125.8 10.6 22.2 60.5 49 345 A P S S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.571 75.4 97.7 -71.7 -5.6 13.6 21.0 62.6 50 346 A E S S- 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.576 91.7 -57.6 -57.0-147.7 13.9 24.7 63.4 51 347 A D S S- 0 0 129 1,-0.1 2,-0.3 0, 0.0 120,-0.0 0.699 70.3 -86.2 -69.7-125.3 12.5 26.6 66.5 52 348 A V - 0 0 25 117,-0.0 -1,-0.1 -3,-0.0 119,-0.0 -0.982 47.4 -75.4-153.9 151.3 8.8 26.4 67.3 53 349 A R - 0 0 45 -2,-0.3 2,-0.1 227,-0.2 5,-0.0 -0.176 52.0-131.6 -51.2 136.9 5.7 28.4 66.2 54 350 A T > - 0 0 70 1,-0.1 4,-1.7 43,-0.0 5,-0.2 -0.319 26.1 -96.5 -86.7 172.3 5.5 31.8 67.9 55 351 A K H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.911 126.9 46.9 -53.4 -47.8 2.6 33.4 69.7 56 352 A D H 4 S+ 0 0 142 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.827 115.7 45.1 -65.9 -33.5 1.6 35.3 66.6 57 353 A Q H > S+ 0 0 110 1,-0.1 4,-0.5 2,-0.1 -1,-0.2 0.636 114.6 51.8 -84.5 -14.3 2.0 32.2 64.4 58 354 A L H X S+ 0 0 7 -4,-1.7 4,-2.7 -3,-0.2 -2,-0.2 0.852 98.9 57.3 -92.0 -38.8 0.1 30.1 67.0 59 355 A F H X S+ 0 0 50 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.911 104.5 51.1 -63.1 -42.6 -3.1 32.0 67.6 60 356 A P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.937 115.3 44.4 -58.7 -42.4 -4.3 32.1 64.0 61 357 A L H X S+ 0 0 48 -4,-0.5 4,-1.9 2,-0.2 219,-0.2 0.889 113.1 50.3 -66.8 -40.5 -3.8 28.3 63.8 62 358 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.915 112.9 47.7 -63.7 -42.1 -5.4 27.8 67.2 63 359 A K H X S+ 0 0 79 -4,-3.1 4,-2.4 2,-0.2 5,-0.3 0.880 106.6 55.6 -66.5 -41.5 -8.4 29.9 66.1 64 360 A E H X S+ 0 0 64 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.931 110.0 47.9 -57.1 -45.4 -8.8 28.1 62.8 65 361 A F H X S+ 0 0 5 -4,-1.9 4,-3.7 2,-0.2 -2,-0.2 0.922 111.1 47.9 -62.9 -48.2 -9.1 24.8 64.7 66 362 A L H X S+ 0 0 0 -4,-2.0 4,-3.7 2,-0.2 5,-0.3 0.904 110.5 51.6 -60.9 -43.5 -11.7 26.0 67.2 67 363 A D H X S+ 0 0 28 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.929 114.9 44.5 -58.3 -44.2 -13.8 27.5 64.5 68 364 A Q H X S+ 0 0 46 -4,-2.0 4,-1.5 -5,-0.3 -2,-0.2 0.936 114.2 48.7 -65.4 -48.4 -13.6 24.2 62.8 69 365 A Y H X S+ 0 0 29 -4,-3.7 4,-1.2 1,-0.2 3,-0.4 0.949 114.1 45.2 -58.2 -50.5 -14.2 22.2 66.0 70 366 A Y H <>S+ 0 0 13 -4,-3.7 5,-3.2 1,-0.2 -1,-0.2 0.797 108.9 55.3 -66.6 -27.2 -17.3 24.3 67.0 71 367 A S H ><5S+ 0 0 57 -4,-1.7 3,-1.3 -5,-0.3 -1,-0.2 0.804 100.5 63.5 -72.3 -27.8 -18.7 24.2 63.5 72 368 A S H 3<5S+ 0 0 52 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.915 108.0 39.0 -59.7 -46.3 -18.5 20.4 63.9 73 369 A I T 3<5S- 0 0 78 -4,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.211 119.2-113.2 -90.6 15.8 -21.0 20.5 66.7 74 370 A K T < 5S+ 0 0 183 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.894 86.1 115.4 55.2 46.3 -23.0 23.2 64.9 75 371 A R > < + 0 0 128 -5,-3.2 3,-1.5 -6,-0.1 2,-0.3 -0.111 32.8 155.9-133.5 35.2 -22.2 25.9 67.5 76 372 A F T 3 S+ 0 0 134 1,-0.2 3,-0.1 -6,-0.2 -9,-0.1 -0.496 73.7 13.4 -68.3 124.0 -20.2 28.3 65.4 77 373 A G T 3 S+ 0 0 46 -2,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.229 93.8 142.9 96.1 -14.4 -20.3 31.8 67.0 78 374 A S <> - 0 0 22 -3,-1.5 4,-2.5 1,-0.1 -1,-0.2 0.083 66.3-110.2 -51.6 169.3 -21.8 30.6 70.3 79 375 A K H > S+ 0 0 154 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.922 122.1 53.8 -69.8 -43.8 -20.8 32.1 73.6 80 376 A A H > S+ 0 0 52 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.921 109.7 49.4 -53.5 -46.6 -18.9 28.9 74.4 81 377 A H H > S+ 0 0 3 -6,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.965 116.0 39.9 -57.5 -58.1 -17.1 29.3 71.1 82 378 A M H X S+ 0 0 106 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.832 115.1 53.2 -63.6 -33.6 -16.1 32.9 71.7 83 379 A D H X S+ 0 0 76 -4,-3.6 4,-1.9 2,-0.2 -1,-0.2 0.940 110.5 47.3 -66.1 -46.1 -15.4 32.3 75.4 84 380 A R H X S+ 0 0 6 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.842 108.9 54.5 -63.9 -36.7 -13.0 29.5 74.4 85 381 A L H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.904 109.6 47.3 -63.9 -41.5 -11.3 31.6 71.8 86 382 A E H X S+ 0 0 95 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.853 110.8 52.1 -68.5 -36.5 -10.6 34.3 74.4 87 383 A E H X S+ 0 0 96 -4,-1.9 4,-3.7 2,-0.2 5,-0.2 0.984 113.5 41.8 -61.9 -59.2 -9.3 31.8 76.9 88 384 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.905 115.9 51.3 -55.2 -45.1 -6.8 30.2 74.4 89 385 A N H X S+ 0 0 45 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.973 115.5 39.9 -57.1 -56.8 -5.9 33.6 73.2 90 386 A K H X S+ 0 0 131 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.878 115.6 53.8 -60.3 -38.4 -5.2 35.0 76.6 91 387 A E H X S+ 0 0 56 -4,-3.7 4,-2.3 -5,-0.2 6,-0.6 0.855 107.5 49.4 -66.1 -35.6 -3.6 31.7 77.6 92 388 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.894 106.6 58.4 -69.8 -38.2 -1.2 31.8 74.6 93 389 A E H < S+ 0 0 100 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.881 116.5 30.5 -58.1 -42.4 -0.3 35.4 75.6 94 390 A S H < S+ 0 0 95 -4,-1.6 -2,-0.2 3,-0.1 -1,-0.2 0.874 134.3 27.2 -86.9 -40.7 0.9 34.5 79.0 95 391 A T H < S- 0 0 78 -4,-2.3 -3,-0.2 2,-0.4 -2,-0.2 0.500 95.9-125.8-101.3 -5.2 2.3 31.0 78.5 96 392 A S S < S+ 0 0 55 -4,-2.3 2,-0.3 -5,-0.3 -4,-0.2 0.704 88.2 41.9 66.4 20.8 3.2 31.2 74.8 97 393 A T S S- 0 0 27 -6,-0.6 -2,-0.4 -9,-0.1 2,-0.3 -0.945 72.9-136.4-173.2 179.2 1.0 28.1 74.2 98 394 A Y - 0 0 0 -2,-0.3 2,-0.5 -3,-0.1 -10,-0.1 -0.968 15.4-116.4-150.7 165.6 -2.4 26.5 75.2 99 395 A Q - 0 0 90 -2,-0.3 2,-0.1 182,-0.0 -8,-0.0 -0.918 22.9-133.6-112.3 127.4 -3.9 23.3 76.3 100 396 A L - 0 0 5 -2,-0.5 2,-0.0 1,-0.1 179,-0.0 -0.477 26.5-119.5 -73.1 144.5 -6.6 21.5 74.3 101 397 A K > - 0 0 83 -2,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.301 32.8-101.2 -74.0 171.5 -9.6 20.2 76.3 102 398 A D H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.919 122.7 50.3 -61.7 -44.4 -10.1 16.5 76.3 103 399 A T H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 109.7 49.6 -62.2 -40.2 -12.9 16.8 73.7 104 400 A E H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.819 110.1 52.7 -69.3 -30.9 -10.9 18.9 71.3 105 401 A L H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.888 110.3 46.0 -72.0 -40.3 -8.0 16.5 71.5 106 402 A I H X S+ 0 0 70 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.897 114.2 48.4 -69.0 -41.1 -10.2 13.5 70.6 107 403 A Y H X S+ 0 0 33 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.911 113.1 49.2 -64.4 -42.5 -11.8 15.4 67.8 108 404 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.867 110.6 48.7 -65.7 -39.4 -8.4 16.5 66.5 109 405 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.933 111.7 48.6 -66.9 -47.4 -6.8 13.0 66.7 110 406 A K H X S+ 0 0 56 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.882 114.0 47.2 -60.4 -39.6 -9.7 11.4 64.8 111 407 A H H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.760 102.5 61.2 -75.4 -26.5 -9.6 14.1 62.1 112 408 A A H < S+ 0 0 0 -4,-1.5 296,-0.5 2,-0.2 -1,-0.2 0.896 114.0 39.1 -63.9 -37.4 -5.8 13.8 61.7 113 409 A W H >< S+ 0 0 34 -4,-1.5 3,-1.3 2,-0.2 -2,-0.2 0.897 112.7 54.8 -76.1 -43.8 -6.6 10.2 60.7 114 410 A R H 3< S+ 0 0 25 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.840 112.2 45.7 -58.0 -33.5 -9.7 11.3 58.7 115 411 A N T 3< S+ 0 0 7 -4,-2.3 2,-1.5 291,-0.2 289,-0.3 0.479 79.0 117.8 -89.1 -5.6 -7.5 13.7 56.8 116 412 A A X - 0 0 27 -3,-1.3 3,-2.0 -4,-0.2 6,-0.1 -0.468 44.7-171.6 -68.1 91.5 -4.7 11.2 56.2 117 413 A S T 3 S+ 0 0 14 -2,-1.5 262,-2.9 1,-0.3 -1,-0.2 0.686 80.6 55.3 -60.0 -20.9 -4.8 11.1 52.4 118 414 A R T 3 S+ 0 0 55 260,-0.2 2,-0.5 264,-0.1 -1,-0.3 0.485 87.3 99.0 -91.0 -2.9 -2.4 8.2 52.1 119 415 A C X - 0 0 38 -3,-2.0 3,-0.5 -6,-0.2 264,-0.1 -0.752 47.8-173.9 -91.9 123.9 -4.4 5.9 54.4 120 416 A V T 3 S+ 0 0 25 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.603 79.3 63.8 -89.3 -11.6 -6.7 3.3 52.8 121 417 A G T > + 0 0 30 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.126 61.1 119.2-100.6 24.5 -8.3 2.2 56.1 122 418 A R G X + 0 0 0 -3,-0.5 3,-2.3 1,-0.3 4,-0.2 0.574 49.4 87.6 -66.4 -10.1 -10.1 5.5 57.0 123 419 A I G 3 S+ 0 0 51 -3,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.794 92.7 51.9 -58.4 -20.7 -13.6 3.9 56.9 124 420 A Q G X S+ 0 0 61 -3,-1.6 3,-2.9 1,-0.2 -1,-0.3 0.497 76.7 113.7 -89.9 -8.3 -12.6 3.2 60.6 125 421 A W T < S+ 0 0 40 -3,-2.3 -1,-0.2 1,-0.3 -11,-0.2 0.676 72.0 52.0 -38.5 -39.5 -11.6 6.8 61.4 126 422 A S T 3 S+ 0 0 66 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.522 98.4 71.1 -81.6 -4.5 -14.4 7.6 63.9 127 423 A K < + 0 0 146 -3,-2.9 2,-0.4 -17,-0.1 34,-0.3 -0.717 67.9 131.6-112.7 77.5 -13.6 4.4 65.9 128 424 A L - 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0 0 56 1,-0.1 -1,-0.1 -3,-0.1 5,-0.1 0.616 38.6-100.3-120.3 -77.2 6.8 23.7 73.9 171 467 A D S S+ 0 0 105 -120,-0.0 -1,-0.1 -119,-0.0 4,-0.1 -0.260 94.3 1.7-175.0 -85.7 10.0 25.7 73.2 172 468 A G S S+ 0 0 52 1,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.947 112.7 72.4 -87.6 -62.4 12.9 25.3 75.6 173 469 A K S S- 0 0 158 1,-0.1 -1,-0.1 -4,-0.0 2,-0.1 0.698 102.2-127.2 -19.0 -50.9 11.7 22.8 78.2 174 470 A H - 0 0 102 58,-0.1 57,-0.2 2,-0.0 2,-0.2 -0.124 20.8 -94.9 108.0 160.6 12.0 20.1 75.6 175 471 A D - 0 0 28 56,-0.2 57,-2.4 55,-0.1 2,-0.3 -0.582 18.0-110.8-116.7 171.9 10.0 17.4 73.9 176 472 A F + 0 0 4 -9,-0.5 2,-0.3 -2,-0.2 54,-0.2 -0.725 33.0 170.3 -97.2 140.7 9.0 13.7 73.8 177 473 A R E -H 229 0E 16 52,-2.3 52,-2.4 -2,-0.3 2,-0.8 -0.986 31.2-143.4-150.4 138.1 10.0 11.4 71.0 178 474 A V E -H 228 0E 0 94,-0.6 50,-0.2 106,-0.4 108,-0.1 -0.931 18.4-156.1 -99.9 110.7 9.7 7.6 70.5 179 475 A W + 0 0 16 48,-2.5 2,-0.1 -2,-0.8 -1,-0.1 0.683 66.7 92.6 -63.7 -18.2 13.0 6.9 68.6 180 476 A N S S- 0 0 3 47,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.476 74.1-140.5 -75.8 148.3 11.5 3.8 67.1 181 477 A S S S+ 0 0 32 1,-0.3 91,-1.9 -2,-0.1 92,-0.9 0.813 92.6 11.4 -77.3 -31.1 9.8 4.1 63.7 182 478 A Q B S-F 271 0D 39 89,-0.3 -1,-0.3 90,-0.2 89,-0.2 -0.988 79.2-119.7-144.1 144.3 7.1 1.6 64.9 183 479 A L S S+ 0 0 1 87,-2.2 2,-0.5 -2,-0.3 57,-0.1 0.900 106.5 37.0 -50.2 -45.4 6.5 0.3 68.4 184 480 A I S S+ 0 0 1 84,-0.3 2,-0.3 86,-0.2 86,-0.3 -0.948 78.8 133.7-116.8 118.6 7.1 -3.2 67.2 185 481 A R - 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