==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUN-05 1ZVL . COMPND 2 MOLECULE: NITRIC-OXIDE SYNTHASE, BRAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.MATTER,H.S.KUMAR,R.FEDOROV,A.FREY,P.KOTSONIS,E.HARTMANN, . 842 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 65.4 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 . 85 10.1 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 . 69 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 4 2 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 . 7 7 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 1 297 A G 0 0 57 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-106.7 1.5 28.3 45.1 2 298 A P + 0 0 129 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.704 360.0 28.6 -66.4 -16.1 5.2 27.5 44.4 3 299 A R S S+ 0 0 118 1,-0.1 2,-2.2 2,-0.0 19,-0.1 0.680 104.1 78.8-110.7 -33.1 4.5 28.2 40.7 4 300 A F S S- 0 0 87 13,-0.1 15,-0.2 15,-0.0 -1,-0.1 -0.408 71.3-171.0 -77.0 63.3 1.7 30.7 41.0 5 301 A L E -A 18 0A 31 -2,-2.2 13,-3.0 13,-0.8 2,-0.3 -0.187 9.6-143.6 -54.2 150.4 3.9 33.7 41.9 6 302 A K E -A 17 0A 116 11,-0.2 2,-0.4 -5,-0.1 11,-0.2 -0.898 14.2-164.5-121.0 150.9 1.8 36.7 43.0 7 303 A V E -A 16 0A 0 9,-2.9 9,-3.8 -2,-0.3 2,-0.3 -0.997 12.4-169.4-136.0 129.5 2.4 40.5 42.4 8 304 A K E -A 15 0A 39 -2,-0.4 390,-0.8 7,-0.3 2,-0.7 -0.904 21.8-134.0-123.9 147.7 0.5 43.1 44.4 9 305 A N B > -B 397 0B 6 5,-2.5 4,-1.7 -2,-0.3 5,-0.3 -0.882 12.4-158.6 -98.9 118.0 0.1 46.8 44.2 10 306 A W T 4 S+ 0 0 80 386,-2.2 -1,-0.1 -2,-0.7 387,-0.1 0.528 90.4 53.8 -75.4 -3.4 0.6 48.4 47.6 11 307 A E T 4 S+ 0 0 59 385,-0.2 -1,-0.2 382,-0.2 386,-0.1 0.822 126.7 18.1 -95.6 -37.5 -1.4 51.4 46.6 12 308 A T T 4 S- 0 0 76 2,-0.1 -2,-0.2 384,-0.1 3,-0.1 0.284 94.5-130.7-115.0 5.8 -4.5 49.7 45.4 13 309 A D < + 0 0 109 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.602 53.0 151.9 52.8 16.2 -4.0 46.3 47.1 14 310 A V - 0 0 73 -5,-0.3 -5,-2.5 -6,-0.0 2,-0.4 -0.610 30.6-156.5 -78.0 132.8 -4.7 44.5 43.9 15 311 A V E -A 8 0A 76 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.935 8.2-169.1-113.3 131.8 -3.0 41.1 43.6 16 312 A L E -A 7 0A 31 -9,-3.8 -9,-2.9 -2,-0.4 2,-0.4 -0.910 17.0-130.9-120.0 148.6 -2.2 39.5 40.2 17 313 A T E -A 6 0A 48 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.836 15.5-152.8-100.8 134.6 -1.0 35.9 39.5 18 314 A D E +A 5 0A 0 -13,-3.0 -13,-0.8 -2,-0.4 357,-0.2 -0.914 34.4 146.3-114.2 114.5 2.0 35.4 37.2 19 315 A T > + 0 0 54 355,-2.1 3,-2.1 -2,-0.6 4,-0.4 0.632 60.9 79.4-111.7 -26.9 2.2 32.1 35.3 20 316 A L G > S+ 0 0 3 354,-3.2 3,-1.9 1,-0.3 4,-0.3 0.814 78.3 74.9 -52.5 -33.3 3.9 33.3 32.1 21 317 A H G > S+ 0 0 20 353,-0.3 3,-2.1 1,-0.3 -1,-0.3 0.805 83.0 67.9 -52.6 -30.3 7.2 33.4 33.9 22 318 A L G < S+ 0 0 108 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.815 90.3 61.2 -61.6 -30.1 7.3 29.6 33.7 23 319 A K G < S+ 0 0 141 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.512 82.3 118.1 -74.4 -2.9 7.7 29.8 29.9 24 320 A S < + 0 0 14 -3,-2.1 380,-0.2 -4,-0.3 430,-0.1 -0.294 34.7 171.1 -63.4 150.0 10.9 31.7 30.6 25 321 A T + 0 0 70 378,-1.2 -1,-0.1 429,-0.1 379,-0.1 0.657 50.4 69.8-123.1 -57.1 14.1 30.0 29.3 26 322 A L S S- 0 0 41 377,-0.6 377,-0.4 1,-0.1 2,-0.3 -0.058 80.7-105.3 -65.4 166.6 17.0 32.4 29.7 27 323 A E - 0 0 60 17,-0.1 427,-0.2 1,-0.1 -1,-0.1 -0.754 9.9-151.5-101.5 144.0 18.7 33.6 33.0 28 324 A T - 0 0 15 425,-3.6 426,-0.1 -2,-0.3 16,-0.1 0.575 44.1-112.2 -86.5 -13.1 18.3 36.9 34.7 29 325 A G S S+ 0 0 12 424,-0.4 2,-0.3 1,-0.4 424,-0.1 0.107 81.8 119.5 101.5 -24.5 21.7 37.0 36.4 30 326 A C - 0 0 1 422,-0.3 -1,-0.4 423,-0.2 -2,-0.2 -0.595 46.4-163.8 -77.6 134.3 20.1 36.6 39.9 31 327 A T - 0 0 46 3,-1.3 420,-0.3 -2,-0.3 418,-0.2 -0.381 38.1 -90.5-105.0-172.4 21.1 33.5 41.8 32 328 A E S S+ 0 0 94 1,-0.2 417,-2.1 -2,-0.1 418,-0.6 0.830 125.7 32.2 -71.6 -31.6 19.5 31.9 44.9 33 329 A H S S+ 0 0 72 415,-0.2 791,-0.6 416,-0.1 2,-0.3 0.496 120.8 46.1-103.9 -6.4 21.6 33.9 47.3 34 330 A I E -C 823 0C 6 789,-0.1 -3,-1.3 417,-0.1 2,-0.5 -0.971 61.5-146.0-139.5 153.1 22.1 37.2 45.4 35 331 A C E +C 822 0C 9 787,-2.3 787,-1.6 -2,-0.3 3,-0.2 -0.966 12.1 178.6-123.2 117.4 20.0 39.7 43.4 36 332 A M > + 0 0 37 -2,-0.5 3,-3.5 1,-0.2 -1,-0.1 0.246 40.8 129.3 -96.9 10.0 21.6 41.5 40.4 37 333 A G T 3 S+ 0 0 28 1,-0.3 344,-0.2 785,-0.1 -1,-0.2 0.497 72.6 47.1 -43.9 -12.1 18.4 43.3 39.6 38 334 A S T 3 S+ 0 0 17 782,-0.4 2,-0.6 -3,-0.2 -1,-0.3 0.340 82.5 112.0-113.2 1.7 20.1 46.7 39.5 39 335 A I < - 0 0 17 -3,-3.5 -3,-0.1 1,-0.2 389,-0.0 -0.685 62.1-146.0 -80.1 116.6 23.0 45.6 37.3 40 336 A M S S+ 0 0 54 -2,-0.6 -1,-0.2 1,-0.3 3,-0.0 0.909 86.4 16.2 -46.9 -59.0 22.7 47.3 33.9 41 337 A L - 0 0 61 1,-0.1 -1,-0.3 -3,-0.1 4,-0.1 -0.866 58.6-173.2-123.0 96.2 24.1 44.5 31.7 42 338 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.617 45.8-124.7 -64.4 -2.1 24.2 41.1 33.5 43 339 A S S > S+ 0 0 86 1,-0.1 2,-0.6 2,-0.1 3,-0.6 0.666 70.3 138.5 68.5 16.5 26.1 40.1 30.3 44 340 A Q T 3 S- 0 0 83 1,-0.2 -1,-0.1 -16,-0.1 -17,-0.1 -0.155 89.6 -0.6 -83.6 38.5 23.5 37.4 29.9 45 341 A H T 3 S+ 0 0 37 -2,-0.6 365,-0.4 -4,-0.1 -1,-0.2 0.487 76.4 134.6 142.7 50.2 23.5 38.3 26.2 46 342 A T S < S- 0 0 42 -3,-0.6 365,-0.1 363,-0.1 -2,-0.1 -0.003 73.1-125.5 -99.8 22.8 25.9 41.2 25.4 47 343 A R - 0 0 40 364,-0.2 -3,-0.1 363,-0.2 -4,-0.0 0.793 25.6-142.0 27.9 80.1 26.7 38.8 22.6 48 344 A K - 0 0 152 -5,-0.2 2,-1.8 1,-0.1 -1,-0.1 0.004 29.0 -90.8 -55.9 162.6 30.4 38.3 22.8 49 345 A P S S+ 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.516 90.2 95.4 -81.6 76.7 32.6 38.0 19.6 50 346 A E S S- 0 0 125 -2,-1.8 0, 0.0 1,-0.4 0, 0.0 -0.675 77.3 -38.5-142.5-164.4 32.5 34.2 19.2 51 347 A D - 0 0 146 -2,-0.2 -1,-0.4 1,-0.1 2,-0.2 0.305 53.6-137.3 -51.0-173.1 30.6 31.4 17.3 52 348 A V - 0 0 24 1,-0.2 -1,-0.1 118,-0.0 119,-0.0 -0.726 43.7 -37.0-138.0-173.5 26.8 31.4 16.7 53 349 A R - 0 0 50 -2,-0.2 2,-0.2 227,-0.2 -1,-0.2 -0.168 57.9-135.3 -52.1 139.0 23.8 29.0 16.8 54 350 A T > - 0 0 65 1,-0.1 4,-3.1 -3,-0.1 5,-0.2 -0.633 27.2-106.0 -95.6 155.8 24.6 25.4 15.7 55 351 A K H > S+ 0 0 78 -2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.847 125.4 48.6 -48.2 -32.1 22.3 23.5 13.4 56 352 A D H >4 S+ 0 0 132 2,-0.2 3,-0.8 1,-0.2 -1,-0.2 0.993 111.6 43.3 -70.2 -65.0 21.4 21.6 16.6 57 353 A Q H 3> S+ 0 0 96 1,-0.2 4,-1.2 2,-0.1 -2,-0.2 0.826 110.2 62.4 -49.1 -38.7 20.7 24.6 18.9 58 354 A L H 3X S+ 0 0 7 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.849 95.7 52.7 -62.6 -42.2 18.8 26.3 16.1 59 355 A F H S+ 0 0 73 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.919 112.2 49.7 -48.1 -42.3 14.6 23.6 19.1 61 357 A L H X S+ 0 0 46 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.890 112.7 46.5 -61.9 -40.3 14.6 27.4 19.1 62 358 A A H X S+ 0 0 0 -4,-1.9 4,-3.6 -3,-0.3 5,-0.3 0.936 110.4 53.3 -66.7 -47.5 12.7 27.4 15.8 63 359 A K H X S+ 0 0 94 -4,-3.8 4,-3.0 2,-0.2 5,-0.2 0.939 109.8 47.6 -52.5 -52.9 10.3 24.8 17.1 64 360 A E H X S+ 0 0 59 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.962 115.5 44.5 -54.5 -56.2 9.4 26.8 20.2 65 361 A F H X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 -2,-0.2 0.943 114.4 48.6 -54.5 -52.1 8.9 30.0 18.2 66 362 A L H X S+ 0 0 0 -4,-3.6 4,-2.2 1,-0.2 -1,-0.2 0.900 112.5 48.9 -57.7 -41.0 6.9 28.2 15.5 67 363 A D H X S+ 0 0 25 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.926 111.2 49.9 -64.8 -43.3 4.7 26.6 18.2 68 364 A Q H >X S+ 0 0 44 -4,-3.0 4,-1.8 -5,-0.2 3,-0.9 0.984 110.0 53.0 -55.6 -57.1 4.3 29.9 19.9 69 365 A Y H 3X S+ 0 0 28 -4,-3.5 4,-1.2 1,-0.2 -2,-0.2 0.831 109.1 46.4 -46.6 -46.2 3.2 31.4 16.5 70 366 A Y H 3<>S+ 0 0 24 -4,-2.2 5,-3.2 1,-0.2 -1,-0.2 0.775 106.5 57.2 -73.8 -25.4 0.5 28.8 15.7 71 367 A S H X<5S+ 0 0 44 -4,-1.6 3,-1.3 -3,-0.9 5,-0.2 0.926 105.3 53.6 -67.7 -44.2 -1.1 28.9 19.2 72 368 A S H 3<5S+ 0 0 57 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.852 110.3 44.0 -57.6 -42.3 -1.6 32.7 18.7 73 369 A I T 3<5S- 0 0 74 -4,-1.2 -1,-0.3 2,-0.0 -2,-0.2 0.359 117.5-112.2 -88.2 6.6 -3.4 32.3 15.4 74 370 A K T < 5S+ 0 0 157 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.892 88.3 109.5 66.5 45.1 -5.5 29.4 16.7 75 371 A R > < + 0 0 134 -5,-3.2 3,-0.9 -6,-0.1 2,-0.4 -0.198 39.0 163.1-140.8 42.7 -3.9 26.7 14.5 76 372 A F T 3 S- 0 0 136 1,-0.2 3,-0.1 -5,-0.2 -9,-0.1 -0.530 74.2 -2.1 -71.8 119.8 -1.9 24.7 17.0 77 373 A G T 3 S+ 0 0 36 -2,-0.4 -1,-0.2 1,-0.2 5,-0.2 0.313 95.1 144.4 85.0 -9.1 -1.0 21.3 15.7 78 374 A S <> - 0 0 22 -3,-0.9 4,-2.8 1,-0.1 3,-0.2 -0.059 69.1-102.8 -56.2 165.4 -2.8 21.9 12.4 79 375 A K H > S+ 0 0 159 1,-0.3 4,-4.3 2,-0.2 5,-0.2 0.945 126.0 56.6 -55.8 -49.0 -1.3 20.4 9.3 80 376 A A H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.850 109.1 47.5 -48.8 -41.2 -0.1 23.9 8.4 81 377 A H H > S+ 0 0 4 -6,-0.3 4,-1.5 -3,-0.2 -2,-0.2 0.981 114.1 43.6 -66.1 -58.8 1.7 23.9 11.7 82 378 A M H X S+ 0 0 95 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.905 112.2 58.3 -52.6 -43.7 3.2 20.5 11.3 83 379 A D H X S+ 0 0 69 -4,-4.3 4,-2.7 1,-0.2 3,-0.4 0.933 106.0 43.2 -52.3 -59.5 4.1 21.4 7.7 84 380 A R H X S+ 0 0 7 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.747 110.6 60.0 -63.3 -22.7 6.2 24.5 8.4 85 381 A L H X S+ 0 0 14 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.2 0.899 110.0 38.9 -71.5 -41.6 7.9 22.6 11.2 86 382 A E H X S+ 0 0 108 -4,-1.9 4,-3.4 -3,-0.4 5,-0.2 0.903 117.0 53.3 -73.5 -41.1 9.2 19.9 8.9 87 383 A E H X S+ 0 0 89 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.938 116.0 37.2 -57.3 -52.2 9.9 22.6 6.3 88 384 A V H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.893 114.8 57.9 -65.5 -40.7 12.0 24.6 8.7 89 385 A N H X S+ 0 0 47 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.905 113.4 38.2 -54.2 -45.4 13.3 21.4 10.1 90 386 A K H X S+ 0 0 133 -4,-3.4 4,-1.9 1,-0.2 5,-0.2 0.913 109.5 61.3 -73.3 -42.7 14.6 20.4 6.7 91 387 A E H X S+ 0 0 37 -4,-2.7 4,-2.6 -5,-0.2 6,-0.4 0.816 106.0 47.7 -51.2 -39.3 15.7 23.9 5.7 92 388 A I H X S+ 0 0 4 -4,-1.9 4,-2.5 3,-0.2 -1,-0.2 0.873 104.9 57.6 -73.0 -42.1 18.2 24.0 8.7 93 389 A E H < S+ 0 0 125 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 119.9 30.8 -54.1 -46.8 19.7 20.5 8.0 94 390 A S H < S+ 0 0 92 -4,-1.9 -2,-0.2 3,-0.1 -1,-0.2 0.928 133.3 28.1 -80.3 -50.1 20.7 21.7 4.5 95 391 A T H < S- 0 0 76 -4,-2.6 -3,-0.2 2,-0.4 -2,-0.2 0.615 92.8-128.2 -91.5 -13.5 21.3 25.4 5.0 96 392 A S S < S+ 0 0 66 -4,-2.5 2,-0.3 1,-0.3 -4,-0.2 0.859 88.7 30.8 66.9 33.7 22.4 25.5 8.6 97 393 A T S S- 0 0 39 -6,-0.4 -2,-0.4 -9,-0.1 -1,-0.3 -0.961 73.4-141.6 171.0-173.0 19.7 28.2 9.1 98 394 A Y - 0 0 0 -2,-0.3 2,-0.3 -3,-0.1 -10,-0.1 -0.950 14.7-111.1-162.5-179.5 16.4 29.3 7.8 99 395 A Q - 0 0 102 -2,-0.3 2,-0.3 182,-0.0 -8,-0.1 -0.932 25.9-125.4-125.4 149.0 14.3 32.4 6.9 100 396 A L - 0 0 5 -2,-0.3 5,-0.0 1,-0.1 2,-0.0 -0.723 23.1-120.2 -97.3 143.2 11.2 33.7 8.5 101 397 A K > - 0 0 96 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.354 31.1-108.1 -73.0 160.5 8.0 34.3 6.7 102 398 A D H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.864 121.8 51.8 -57.6 -38.2 6.7 37.8 6.7 103 399 A T H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 111.6 47.4 -65.2 -37.2 3.8 36.8 9.0 104 400 A E H > S+ 0 0 1 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.762 110.6 52.4 -75.8 -27.9 6.4 35.3 11.4 105 401 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.953 110.2 45.6 -73.0 -52.8 8.7 38.3 11.2 106 402 A I H X S+ 0 0 66 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.935 115.3 49.3 -54.7 -49.9 6.0 40.9 12.1 107 403 A Y H X S+ 0 0 32 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.968 112.9 44.7 -54.9 -59.6 4.8 38.6 14.9 108 404 A G H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.822 113.3 51.8 -56.7 -34.4 8.2 38.0 16.4 109 405 A A H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 3,-0.4 0.918 110.0 47.8 -69.4 -44.7 9.1 41.7 16.2 110 406 A K H X S+ 0 0 52 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.782 114.1 49.2 -66.1 -27.0 5.9 42.8 17.9 111 407 A H H X S+ 0 0 16 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.649 100.1 61.0 -87.5 -16.8 6.7 40.2 20.6 112 408 A A H < S+ 0 0 0 -4,-1.0 296,-0.6 -3,-0.4 -1,-0.2 0.736 111.6 43.5 -77.6 -21.2 10.3 41.2 21.1 113 409 A W H >< S+ 0 0 36 -4,-0.9 3,-1.1 2,-0.2 -2,-0.2 0.791 109.8 55.1 -87.8 -34.6 8.7 44.6 22.2 114 410 A R H 3< S+ 0 0 32 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.2 0.758 112.1 44.7 -69.8 -26.3 6.0 42.9 24.2 115 411 A N T 3< S+ 0 0 6 -4,-1.2 2,-1.4 291,-0.3 289,-0.4 0.217 79.9 116.8-101.9 11.1 8.7 41.0 26.2 116 412 A A X - 0 0 25 -3,-1.1 3,-2.4 1,-0.2 6,-0.2 -0.655 44.9-171.6 -85.0 88.4 10.9 44.1 26.7 117 413 A S T 3 S+ 0 0 21 -2,-1.4 262,-2.1 1,-0.3 -1,-0.2 0.719 80.3 57.3 -52.0 -29.1 10.8 44.4 30.5 118 414 A R T 3 S+ 0 0 60 260,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.485 88.0 96.1 -85.0 -1.0 12.6 47.7 30.5 119 415 A C < - 0 0 36 -3,-2.4 3,-0.4 -6,-0.1 264,-0.1 -0.786 48.0-174.5 -96.7 129.6 10.0 49.4 28.2 120 416 A V S S+ 0 0 29 -2,-0.5 3,-0.3 1,-0.2 -1,-0.1 0.535 80.7 65.0 -94.5 -8.8 7.1 51.4 29.8 121 417 A G > + 0 0 28 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 0.268 60.4 118.9 -99.3 13.4 5.4 52.0 26.5 122 418 A R G > + 0 0 0 -3,-0.4 3,-0.9 1,-0.3 4,-0.2 0.396 53.5 83.5 -60.8 3.0 4.5 48.3 25.8 123 419 A I G 3 S+ 0 0 47 -3,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.740 92.3 52.6 -76.4 -17.7 0.8 49.1 25.8 124 420 A Q G X S+ 0 0 65 -3,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.350 76.4 113.6 -91.9 0.2 1.5 50.1 22.2 125 421 A W T < S+ 0 0 44 -3,-0.9 -1,-0.2 1,-0.3 -11,-0.1 0.813 71.7 52.9 -45.4 -42.6 3.1 46.8 21.4 126 422 A S T 3 S+ 0 0 66 -3,-0.3 2,-1.1 -4,-0.2 -1,-0.3 0.710 96.8 70.8 -71.7 -18.7 0.5 45.6 18.9 127 423 A K < + 0 0 160 -3,-1.9 2,-0.4 -17,-0.1 34,-0.2 -0.756 68.6 135.7-101.4 88.5 0.7 48.8 16.8 128 424 A L - 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0 0 7 -2,-2.1 2,-0.3 -5,-0.1 -5,-0.2 0.069 16.6-165.2 -44.5 146.5 4.9 60.0 15.5 160 456 A R - 0 0 78 -7,-1.9 2,-0.3 130,-0.2 -32,-0.1 -0.966 22.6-115.0-134.4 146.6 4.3 56.4 14.6 161 457 A S + 0 0 12 -2,-0.3 -32,-1.4 -34,-0.2 2,-0.3 -0.627 47.1 152.3 -83.4 141.7 6.1 53.3 16.0 162 458 A A E -dE 129 289D 0 127,-2.1 127,-2.9 -2,-0.3 2,-0.3 -0.986 27.1-159.9-166.3 156.3 8.2 51.3 13.5 163 459 A I E -dE 130 288D 1 -34,-2.2 -32,-2.1 -2,-0.3 2,-0.5 -0.992 10.8-147.7-143.9 143.7 11.2 49.1 13.2 164 460 A T E -d 131 0D 0 123,-2.7 2,-0.6 -2,-0.3 -32,-0.2 -0.974 12.2-155.7-116.3 124.8 13.4 48.1 10.2 165 461 A I E -d 132 0D 0 -34,-1.9 -32,-2.5 -2,-0.5 121,-0.2 -0.878 8.9-166.5-107.4 110.8 14.9 44.7 10.0 166 462 A F - 0 0 0 119,-1.9 119,-0.3 -2,-0.6 -32,-0.3 -0.452 47.9 -48.3 -88.2 164.6 18.0 44.1 8.0 167 463 A P - 0 0 18 0, 0.0 9,-0.5 0, 0.0 117,-0.2 0.088 63.0-114.5 -34.1 126.6 19.5 40.7 6.9 168 464 A Q - 0 0 21 115,-0.1 115,-0.2 1,-0.1 2,-0.1 -0.152 41.4 -93.2 -60.5 159.2 19.8 38.2 9.8 169 465 A R - 0 0 53 113,-2.9 113,-0.3 1,-0.1 -1,-0.1 -0.383 36.2-173.4 -78.0 159.7 23.4 37.2 10.7 170 466 A T - 0 0 69 4,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.736 35.9-105.7-113.0 -70.0 25.1 34.2 9.2 171 467 A D S > S+ 0 0 103 3,-0.1 3,-1.0 -119,-0.0 -1,-0.2 -0.619 91.2 2.7 174.5-110.1 28.5 33.4 10.7 172 468 A G T 3 S+ 0 0 61 1,-0.2 3,-0.0 -2,-0.2 -121,-0.0 0.269 116.2 80.4 -85.2 12.1 31.9 34.0 9.1 173 469 A K T 3 S- 0 0 127 1,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.541 99.2-131.2 -91.1 -12.3 30.0 35.6 6.2 174 470 A H < - 0 0 102 -3,-1.0 2,-0.2 58,-0.0 -4,-0.2 0.232 21.4-121.0 80.8 163.7 29.6 38.8 8.3 175 471 A D - 0 0 27 -6,-0.1 57,-1.0 55,-0.1 2,-0.3 -0.780 15.0 -90.0-138.4 179.9 26.7 41.0 9.1 176 472 A F + 0 0 10 -9,-0.5 2,-0.3 -2,-0.2 54,-0.2 -0.656 38.6 168.9 -92.7 143.8 24.9 44.4 9.1 177 473 A R E -H 229 0E 14 52,-2.3 52,-1.8 -2,-0.3 2,-0.7 -0.950 33.0-140.5-157.6 131.4 25.2 47.0 11.9 178 474 A V E -H 228 0E 0 94,-0.5 50,-0.2 106,-0.4 108,-0.1 -0.839 18.9-157.4 -89.1 115.9 24.2 50.6 12.4 179 475 A W + 0 0 17 48,-1.8 -1,-0.1 -2,-0.7 49,-0.1 0.688 67.3 89.8 -71.1 -16.2 27.2 52.0 14.2 180 476 A N S S- 0 0 4 1,-0.1 3,-0.1 92,-0.1 -2,-0.1 -0.452 77.6-136.9 -76.6 155.5 25.2 54.8 15.7 181 477 A S S S+ 0 0 26 1,-0.3 91,-2.4 91,-0.1 92,-1.1 0.775 93.8 9.7 -80.9 -28.8 23.5 54.1 19.0 182 478 A Q B S-F 271 0D 5 89,-0.3 -1,-0.3 90,-0.2 89,-0.2 -0.974 79.9-117.4-144.8 149.6 20.4 55.8 17.7 183 479 A L S S+ 0 0 2 87,-1.8 2,-0.5 -2,-0.3 57,-0.1 0.929 108.0 37.2 -53.9 -47.0 19.5 57.0 14.1 184 480 A I S S+ 0 0 2 84,-0.3 86,-0.3 86,-0.2 2,-0.3 -0.940 77.0 134.8-113.8 121.4 19.4 60.6 15.3 185 481 A R - 0 0 33 -2,-0.5 39,-2.5 39,-0.2 -3,-0.0 -0.914 47.5-111.5-164.3 137.6 21.8 61.8 18.0 186 482 A Y B -J 223 0F 0 -2,-0.3 37,-0.2 37,-0.2 16,-0.1 -0.276 35.6-109.5 -71.6 155.3 23.9 65.0 18.6 187 483 A A - 0 0 0 35,-2.5 12,-2.2 18,-0.1 2,-0.4 -0.295 22.8-144.5 -81.3 166.5 27.7 64.9 18.5 188 484 A G E -K 198 0G 0 14,-0.6 2,-0.4 10,-0.3 10,-0.2 -0.999 12.2-169.9-136.8 135.1 30.1 65.4 21.4 189 485 A Y E -K 197 0G 5 8,-3.7 8,-2.8 -2,-0.4 2,-0.7 -0.964 21.1-132.5-128.4 142.9 33.5 67.1 21.5 190 486 A K E -K 196 0G 157 -2,-0.4 6,-0.3 6,-0.2 5,-0.1 -0.830 28.0-145.2 -94.0 113.2 36.3 67.3 24.1 191 487 A Q > - 0 0 53 4,-1.1 3,-1.2 -2,-0.7 -1,-0.0 -0.272 21.3-115.2 -72.4 161.3 37.4 70.9 24.6 192 488 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.854 113.8 66.9 -66.0 -31.8 41.0 71.9 25.3 193 489 A D T 3 S- 0 0 115 1,-0.1 3,-0.1 0, 0.0 -2,-0.1 0.225 123.5-104.4 -73.5 17.5 40.0 73.2 28.7 194 490 A G S < S+ 0 0 66 -3,-1.2 -1,-0.1 1,-0.2 -3,-0.0 0.259 89.8 120.7 77.3 -15.6 39.1 69.6 29.6 195 491 A S - 0 0 49 -5,-0.1 -4,-1.1 1,-0.0 2,-0.3 0.156 59.5-125.5 -66.9-170.0 35.5 70.6 29.2 196 492 A T E -K 190 0G 51 -6,-0.3 2,-0.4 -3,-0.1 -6,-0.2 -0.938 9.1-149.9-150.3 123.6 33.1 69.0 26.7 197 493 A L E -K 189 0G 45 -8,-2.8 -8,-3.7 -2,-0.3 2,-0.1 -0.744 65.6 -11.0 -93.6 136.8 30.9 70.5 23.9 198 494 A G E S-K 188 0G 7 -2,-0.4 -10,-0.3 -10,-0.2 23,-0.1 -0.437 119.5 -2.6 79.7-152.8 27.7 68.8 22.9 199 495 A D > - 0 0 0 -12,-2.2 3,-1.2 21,-0.2 -2,-0.1 -0.679 54.9-161.7 -82.2 110.2 26.6 65.4 24.1 200 496 A P G > S+ 0 0 41 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.747 85.6 67.8 -61.7 -25.8 29.3 63.7 26.3 201 497 A A G 3 S+ 0 0 55 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.771 102.1 45.1 -67.2 -27.1 27.8 60.3 25.8 202 498 A N G <> S+ 0 0 4 -3,-1.2 4,-2.4 1,-0.2 -14,-0.6 0.069 77.4 115.3-104.3 22.1 28.6 60.2 22.1 203 499 A V H <> S+ 0 0 13 -3,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.910 78.8 41.4 -59.3 -47.8 32.2 61.5 22.4 204 500 A Q H > S+ 0 0 130 -4,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.898 114.9 50.8 -69.9 -40.1 34.0 58.4 21.1 205 501 A F H >> S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 3,-1.3 0.976 108.0 52.4 -59.5 -53.9 31.6 57.7 18.3 206 502 A T H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 5,-0.3 0.847 107.6 53.2 -50.2 -37.2 31.8 61.3 17.1 207 503 A E H 3X S+ 0 0 69 -4,-1.4 4,-1.3 2,-0.2 -1,-0.3 0.811 106.2 52.8 -70.3 -28.1 35.6 60.8 17.0 208 504 A I H << S+ 0 0 25 -4,-1.4 4,-0.4 -3,-1.3 -2,-0.2 0.932 112.6 45.7 -68.0 -45.7 35.1 57.7 14.9 209 505 A C H ><>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 3,-1.5 0.939 114.6 43.7 -61.4 -54.4 33.0 59.8 12.5 210 506 A I H ><5S+ 0 0 40 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.841 111.8 58.1 -61.4 -30.9 35.3 62.8 12.2 211 507 A Q T 3<5S+ 0 0 142 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.612 103.6 52.1 -73.7 -13.6 38.1 60.2 12.0 212 508 A Q T < 5S- 0 0 108 -3,-1.5 -1,-0.3 -4,-0.4 25,-0.2 0.172 136.1 -80.7-107.1 15.0 36.4 58.8 8.9 213 509 A G T < 5S+ 0 0 63 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.009 79.3 147.6 112.7 -28.6 36.1 62.1 7.1 214 510 A W < - 0 0 26 -5,-1.9 2,-1.1 -6,-0.2 -1,-0.3 -0.117 45.8-135.2 -45.5 131.2 33.1 63.6 8.8 215 511 A K - 0 0 185 2,-0.0 -1,-0.1 3,-0.0 -5,-0.1 -0.770 21.4-148.9 -94.4 94.2 33.4 67.4 8.9 216 512 A A - 0 0 19 -2,-1.1 8,-0.0 1,-0.1 -10,-0.0 -0.443 9.9-151.5 -68.9 126.0 32.3 68.2 12.5 217 513 A P - 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.663 30.4-133.4 -69.7 -16.3 30.6 71.7 12.8 218 514 A R + 0 0 133 1,-0.2 2,-0.2 -21,-0.1 -20,-0.1 0.947 56.8 136.8 60.9 50.8 31.8 71.8 16.5 219 515 A G - 0 0 19 -22,-0.1 3,-0.5 1,-0.1 -1,-0.2 -0.637 67.1-108.9-118.8 179.0 28.5 72.9 17.8 220 516 A R S S+ 0 0 70 1,-0.2 2,-0.3 -2,-0.2 -21,-0.2 0.918 113.2 27.6 -77.2 -43.4 26.3 72.1 20.8 221 517 A F S S+ 0 0 21 -23,-0.1 2,-0.7 -35,-0.1 -1,-0.2 -0.495 76.4 157.7-119.3 63.6 23.5 70.3 18.9 222 518 A D - 0 0 23 -3,-0.5 -35,-2.5 -2,-0.3 2,-0.3 -0.785 40.3-130.7 -88.6 114.3 25.2 68.8 15.8 223 519 A V B -J 186 0F 29 -2,-0.7 -37,-0.2 -37,-0.2 -39,-0.1 -0.468 27.4-123.6 -66.0 126.3 23.2 65.9 14.4 224 520 A L - 0 0 2 -39,-2.5 16,-0.4 -2,-0.3 -39,-0.2 -0.245 20.5-112.8 -69.1 156.5 25.6 63.0 13.8 225 521 A P - 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