==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-NOV-06 2NRV . COMPND 2 MOLECULE: UVRABC SYSTEM PROTEIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR E.KARAKAS,J.J.TRUGLIO,C.KISKER . 432 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 1 0 1 2 0 2 3 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 . 0 2 3 1 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 340 A R 0 0 249 0, 0.0 2,-0.3 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 125.7 15.6 2.3 7.1 2 341 A G - 0 0 6 46,-0.1 2,-0.5 42,-0.0 46,-0.2 -0.811 360.0 -76.7-142.1 179.6 14.9 5.8 6.1 3 342 A L - 0 0 4 44,-3.0 2,-0.1 -2,-0.3 137,-0.0 -0.757 52.2-115.8 -87.4 131.2 12.0 8.3 6.1 4 343 A R > - 0 0 127 -2,-0.5 4,-2.2 1,-0.1 3,-0.4 -0.423 12.7-131.7 -70.4 136.7 9.5 7.6 3.3 5 344 A K H > S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.880 107.4 54.3 -54.8 -41.2 9.2 10.4 0.7 6 345 A E H > S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 108.7 47.6 -63.1 -38.6 5.4 10.3 1.0 7 346 A A H > S+ 0 0 12 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.852 109.1 54.8 -70.4 -34.1 5.5 10.8 4.8 8 347 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.921 107.9 49.3 -64.1 -42.1 8.0 13.7 4.3 9 348 A E H X S+ 0 0 81 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.917 110.7 50.1 -59.7 -42.1 5.5 15.3 1.9 10 349 A E H X S+ 0 0 65 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.861 110.9 49.2 -64.3 -39.8 2.8 14.8 4.6 11 350 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.940 108.3 54.2 -61.2 -49.4 5.1 16.4 7.2 12 351 A M H <>S+ 0 0 41 -4,-2.9 5,-2.4 1,-0.2 4,-0.3 0.933 111.2 45.4 -49.6 -52.5 5.7 19.3 4.7 13 352 A K H ><5S+ 0 0 161 -4,-2.4 3,-1.0 3,-0.2 -1,-0.2 0.900 111.0 52.4 -59.7 -46.2 1.9 19.9 4.4 14 353 A L H 3<5S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.935 115.9 39.3 -57.9 -45.9 1.3 19.7 8.2 15 354 A L T 3<5S- 0 0 4 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.355 107.7-123.7 -88.5 6.1 4.0 22.3 9.0 16 355 A N T < 5 + 0 0 138 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.901 47.7 172.6 47.3 47.2 3.1 24.5 6.0 17 356 A M < - 0 0 21 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.716 29.0-160.6 -81.3 132.8 6.7 24.2 4.9 18 357 A K S S+ 0 0 200 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.701 77.2 63.5 -81.1 -23.3 7.2 25.8 1.4 19 358 A D S S- 0 0 108 66,-0.1 -2,-0.1 -7,-0.1 0, 0.0 -0.832 92.3-110.3-107.3 140.4 10.5 23.8 1.1 20 359 A F - 0 0 59 -2,-0.3 2,-2.4 1,-0.1 3,-0.3 -0.456 35.6-114.9 -64.6 135.0 10.9 20.0 0.9 21 360 A P + 0 0 1 0, 0.0 26,-0.3 0, 0.0 3,-0.1 -0.419 57.6 151.9 -74.5 69.6 12.6 18.7 4.1 22 361 A Y + 0 0 110 -2,-2.4 24,-2.9 1,-0.2 2,-0.5 0.873 69.4 34.2 -67.5 -43.0 15.7 17.5 2.3 23 362 A R E S+A 45 0A 49 -3,-0.3 62,-2.0 22,-0.2 63,-1.4 -0.980 71.3 177.0-117.3 122.0 18.0 18.0 5.4 24 363 A I E -Ab 44 86A 2 20,-2.5 20,-3.3 -2,-0.5 2,-0.4 -0.984 7.9-166.5-120.4 132.7 16.5 17.4 8.8 25 364 A E E -Ab 43 87A 0 61,-2.1 63,-3.2 -2,-0.4 2,-0.3 -0.924 4.6-163.7-119.1 145.9 18.6 17.7 11.9 26 365 A G E -Ab 42 88A 0 16,-2.0 16,-2.6 -2,-0.4 2,-0.4 -0.977 3.6-151.5-133.7 145.5 17.5 16.4 15.3 27 366 A I E -Ab 41 89A 1 61,-2.1 63,-1.7 -2,-0.3 2,-0.4 -0.961 6.7-169.0-124.5 128.9 18.8 17.1 18.8 28 367 A D E -A 40 0A 10 12,-2.5 12,-2.5 -2,-0.4 2,-0.5 -0.960 11.0-156.5-106.7 134.3 18.8 15.0 22.0 29 368 A I E +A 39 0A 16 -2,-0.4 2,-0.4 61,-0.3 10,-0.2 -0.969 19.2 170.0-108.2 119.8 19.7 16.7 25.2 30 369 A S E -A 38 0A 51 8,-2.5 8,-3.3 -2,-0.5 2,-0.4 -0.993 20.0-145.1-134.9 126.2 21.0 14.3 27.9 31 370 A H E -A 37 0A 45 -2,-0.4 2,-0.7 6,-0.3 6,-0.3 -0.751 7.5-156.1-100.8 138.4 22.5 15.5 31.2 32 371 A L E >> -A 36 0A 39 4,-2.5 3,-2.2 -2,-0.4 4,-1.0 -0.932 38.0-117.8-105.1 106.5 25.4 13.9 33.1 33 372 A Q T 34 S+ 0 0 69 -2,-0.7 30,-0.2 1,-0.3 29,-0.1 -0.093 90.2 6.3 -53.9 136.8 24.9 15.1 36.7 34 373 A G T 34 S+ 0 0 19 28,-3.6 -1,-0.3 1,-0.2 28,-0.2 0.469 131.7 54.3 76.1 2.4 27.6 17.2 38.2 35 374 A K T <4 S- 0 0 134 -3,-2.2 26,-1.3 27,-0.5 2,-0.3 0.599 103.6 -50.4-124.9 -81.5 29.5 17.3 34.9 36 375 A Y E < -AC 32 60A 53 -4,-1.0 -4,-2.5 24,-0.3 2,-0.4 -0.972 39.8-106.9-164.1 155.8 27.9 18.4 31.6 37 376 A T E -AC 31 59A 0 22,-2.9 22,-2.5 -2,-0.3 2,-0.6 -0.808 31.1-147.2 -85.5 134.3 24.9 18.0 29.3 38 377 A V E -AC 30 58A 3 -8,-3.3 -8,-2.5 -2,-0.4 2,-0.5 -0.928 9.2-161.9-103.1 122.3 25.7 16.1 26.1 39 378 A A E -AC 29 57A 0 18,-3.4 18,-2.4 -2,-0.6 2,-0.5 -0.943 5.4-158.4-100.6 130.3 23.7 17.2 23.1 40 379 A S E -AC 28 56A 2 -12,-2.5 -12,-2.5 -2,-0.5 2,-0.5 -0.939 4.7-161.3-115.9 126.6 23.6 14.7 20.3 41 380 A L E -AC 27 55A 1 14,-3.4 14,-1.9 -2,-0.5 2,-0.3 -0.928 5.2-169.9-118.3 120.2 22.8 15.9 16.8 42 381 A V E -A 26 0A 0 -16,-2.6 -16,-2.0 -2,-0.5 2,-0.4 -0.741 7.4-150.6-105.1 159.5 21.7 13.7 14.0 43 382 A V E -A 25 0A 0 -2,-0.3 7,-2.6 -18,-0.2 2,-0.5 -0.995 6.9-168.9-133.5 128.4 21.3 14.5 10.3 44 383 A F E -AD 24 49A 8 -20,-3.3 -20,-2.5 -2,-0.4 2,-0.5 -0.979 6.9-169.7-112.9 129.6 18.9 13.0 7.8 45 384 A E E > S-AD 23 48A 64 3,-3.0 3,-2.1 -2,-0.5 -22,-0.2 -0.986 77.2 -13.6-119.7 125.9 19.6 13.8 4.2 46 385 A D T 3 S- 0 0 88 -24,-2.9 -1,-0.1 -2,-0.5 -24,-0.1 0.830 133.1 -51.7 46.7 39.7 16.9 12.9 1.7 47 386 A G T 3 S+ 0 0 2 -25,-0.4 -44,-3.0 -26,-0.3 -1,-0.3 0.399 119.5 100.6 84.7 2.1 15.3 10.7 4.5 48 387 A F E < S-D 45 0A 103 -3,-2.1 -3,-3.0 -46,-0.2 -1,-0.2 -0.958 79.2-100.9-122.0 142.3 18.4 8.8 5.4 49 388 A P E -D 44 0A 43 0, 0.0 2,-0.7 0, 0.0 -5,-0.3 -0.200 22.4-156.7 -53.3 135.1 20.9 9.2 8.2 50 389 A K > - 0 0 69 -7,-2.6 3,-2.1 1,-0.1 4,-0.4 -0.812 15.5-176.5-114.5 80.1 24.1 10.9 7.1 51 390 A K G > S+ 0 0 145 -2,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.757 72.4 62.6 -62.3 -28.2 26.2 9.5 9.9 52 391 A G G 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.671 101.8 54.1 -65.7 -20.3 29.5 11.4 9.1 53 392 A D G < S+ 0 0 38 -3,-2.1 -1,-0.2 -10,-0.1 -2,-0.2 0.491 81.2 117.4 -97.2 -2.0 27.7 14.7 9.8 54 393 A Y < + 0 0 18 -3,-1.1 2,-0.3 -4,-0.4 -12,-0.2 -0.361 42.0 176.4 -64.7 145.5 26.6 13.6 13.3 55 394 A R E -C 41 0A 103 -14,-1.9 -14,-3.4 -2,-0.0 2,-0.3 -0.965 22.2-143.9-145.1 159.9 28.0 15.8 16.1 56 395 A R E -C 40 0A 70 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.879 8.0-159.9-122.1 160.4 27.8 16.3 19.8 57 396 A Y E -C 39 0A 31 -18,-2.4 -18,-3.4 -2,-0.3 2,-0.5 -0.993 8.7-148.9-133.6 141.0 28.0 19.4 21.9 58 397 A K E -C 38 0A 96 -2,-0.4 2,-0.6 -20,-0.2 -20,-0.2 -0.949 6.0-166.1-121.5 130.5 28.9 19.6 25.6 59 398 A I E -C 37 0A 8 -22,-2.5 -22,-2.9 -2,-0.5 2,-0.4 -0.969 19.6-139.5-119.9 111.1 27.4 22.2 27.9 60 399 A E E +C 36 0A 170 -2,-0.6 2,-0.3 -24,-0.2 -24,-0.3 -0.600 48.7 122.4 -82.9 124.4 29.3 22.3 31.2 61 400 A Q - 0 0 40 -26,-1.3 -26,-0.3 -2,-0.4 -2,-0.1 -0.827 58.2-131.4-178.2 138.0 27.1 22.8 34.2 62 401 A D S S+ 0 0 99 -2,-0.3 -28,-3.6 -28,-0.2 -27,-0.5 0.914 93.4 42.5 -67.4 -42.9 26.6 20.6 37.3 63 402 A H S S- 0 0 128 -30,-0.2 -26,-0.1 -29,-0.2 -31,-0.1 -0.756 97.0 -95.2-108.5 150.4 22.8 20.6 37.1 64 403 A P + 0 0 73 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.237 38.0 168.3 -63.4 147.5 20.6 20.2 34.0 65 404 A D > + 0 0 78 -4,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.567 5.4 177.7-155.5 83.1 19.2 23.2 32.2 66 405 A D H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.834 77.8 54.0 -66.9 -31.6 17.8 21.8 29.0 67 406 A Y H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 112.2 44.2 -69.9 -45.8 16.5 25.1 27.7 68 407 A E H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.883 112.5 53.8 -59.9 -38.9 19.9 26.7 28.1 69 408 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.929 109.8 46.0 -62.9 -45.6 21.5 23.6 26.5 70 409 A I H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.929 113.6 50.2 -62.3 -44.1 19.3 23.7 23.5 71 410 A R H X S+ 0 0 61 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.945 112.3 47.4 -57.3 -48.5 20.0 27.5 23.2 72 411 A T H X S+ 0 0 25 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.926 112.4 49.0 -61.9 -46.9 23.7 26.9 23.4 73 412 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.914 111.6 48.3 -58.5 -46.4 23.7 24.1 20.9 74 413 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.947 114.3 46.3 -63.4 -45.1 21.7 26.1 18.3 75 414 A K H X S+ 0 0 49 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.921 114.6 46.4 -65.0 -45.2 23.9 29.1 18.7 76 415 A R H < S+ 0 0 116 -4,-2.8 3,-0.4 -5,-0.2 4,-0.3 0.957 119.3 39.0 -59.4 -51.6 27.2 27.1 18.5 77 416 A R H >X S+ 0 0 3 -4,-2.7 4,-3.6 -5,-0.2 3,-1.5 0.943 117.0 43.7 -70.0 -50.7 26.1 25.1 15.5 78 417 A Y H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 0.469 103.1 65.0 -85.4 0.8 24.2 27.5 13.3 79 418 A S T 3< S+ 0 0 84 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.581 121.9 23.2 -82.8 -15.2 26.7 30.3 13.7 80 419 A K T <4 S+ 0 0 168 -3,-1.5 -2,-0.2 -4,-0.3 -3,-0.1 0.700 122.5 49.3-116.2 -42.3 29.1 27.9 11.9 81 420 A H S < S- 0 0 45 -4,-3.6 -1,-0.2 -5,-0.2 0, 0.0 -0.730 87.7 -96.1-107.0 154.7 27.0 25.5 9.8 82 421 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.233 45.8-102.8 -63.5 152.9 24.0 26.0 7.4 83 422 A L - 0 0 53 -5,-0.1 2,-0.1 1,-0.1 -60,-0.0 -0.477 33.6-124.4 -71.7 151.6 20.5 25.7 8.7 84 423 A P - 0 0 8 0, 0.0 -60,-0.2 0, 0.0 3,-0.2 -0.301 24.8-109.8 -80.0 177.3 18.6 22.5 7.9 85 424 A N S S+ 0 0 48 -62,-2.0 2,-0.3 1,-0.3 -61,-0.2 0.754 105.2 12.2 -72.7 -28.0 15.3 22.7 6.1 86 425 A L E -b 24 0A 0 -63,-1.4 -61,-2.1 24,-0.1 2,-0.5 -0.976 67.4-151.7-151.8 134.2 13.8 21.5 9.4 87 426 A L E -be 25 112A 0 24,-2.3 26,-3.1 -2,-0.3 2,-0.5 -0.952 11.7-159.6-106.6 129.9 15.1 21.1 13.0 88 427 A F E -be 26 113A 0 -63,-3.2 -61,-2.1 -2,-0.5 2,-0.4 -0.903 5.1-168.6-104.5 134.9 13.6 18.5 15.3 89 428 A V E -be 27 114A 0 24,-2.4 2,-1.5 -2,-0.5 26,-0.9 -0.963 24.7-128.2-123.6 135.6 14.0 18.8 19.1 90 429 A D E S+ e 0 115A 14 -63,-1.7 -61,-0.3 -2,-0.4 2,-0.2 -0.748 79.3 49.9 -86.8 91.8 13.2 16.0 21.4 91 430 A G S S- 0 0 0 -2,-1.5 24,-0.4 24,-0.9 -2,-0.2 -0.822 82.3 -73.5 159.0-179.1 10.9 17.7 23.8 92 431 A G >> - 0 0 9 -2,-0.2 4,-2.4 22,-0.1 3,-0.6 0.282 66.2 -54.8 -91.0-160.6 7.8 20.0 24.1 93 432 A I H 3> S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.842 129.0 52.2 -47.0 -44.6 6.8 23.6 23.6 94 433 A G H 3> S+ 0 0 21 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 112.0 45.2 -62.8 -41.9 9.5 25.0 25.9 95 434 A Q H <> S+ 0 0 23 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.910 114.4 48.7 -71.7 -41.9 12.4 23.2 24.2 96 435 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.941 113.0 47.0 -60.2 -47.9 11.1 24.1 20.7 97 436 A N H X S+ 0 0 52 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.850 106.9 58.1 -64.4 -33.5 10.7 27.8 21.7 98 437 A A H X S+ 0 0 1 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.914 108.6 46.5 -62.8 -41.4 14.2 27.8 23.3 99 438 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.903 112.3 50.0 -64.1 -43.9 15.6 26.7 19.9 100 439 A I H X S+ 0 0 36 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.900 111.3 47.5 -64.3 -39.8 13.6 29.3 18.0 101 440 A E H X S+ 0 0 87 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.902 110.8 52.2 -73.1 -35.7 14.6 32.1 20.3 102 441 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.885 108.4 51.2 -61.6 -42.6 18.3 31.1 20.0 103 442 A L H ><>S+ 0 0 3 -4,-2.2 5,-3.2 1,-0.2 3,-0.9 0.926 110.4 49.0 -61.6 -44.1 18.0 31.1 16.2 104 443 A K H ><5S+ 0 0 146 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.864 101.7 63.9 -59.3 -35.4 16.6 34.6 16.5 105 444 A E H 3<5S+ 0 0 124 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 111.1 37.4 -63.6 -27.4 19.5 35.5 18.8 106 445 A I T <<5S- 0 0 40 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.161 121.7-103.8-111.2 15.5 21.8 34.9 15.8 107 446 A G T < 5S+ 0 0 70 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.649 78.6 130.4 82.1 18.9 19.6 36.3 13.1 108 447 A K < - 0 0 77 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.3 -0.696 36.3-169.0-112.5 156.4 18.5 32.9 11.8 109 448 A D + 0 0 133 -2,-0.3 -26,-0.1 -3,-0.1 -9,-0.1 -0.955 19.4 140.4-147.6 124.2 15.2 31.4 11.0 110 449 A C - 0 0 11 -2,-0.3 -24,-0.1 -10,-0.1 -25,-0.1 -0.972 55.8 -85.3-153.2 157.1 14.1 27.8 10.2 111 450 A P - 0 0 44 0, 0.0 -24,-2.3 0, 0.0 2,-0.4 -0.405 41.3-163.8 -62.3 137.7 11.1 25.6 11.1 112 451 A V E -e 87 0A 3 -26,-0.2 13,-0.5 -2,-0.1 2,-0.3 -0.997 8.6-178.8-126.0 128.8 11.5 23.8 14.4 113 452 A V E -eF 88 124A 0 -26,-3.1 -24,-2.4 -2,-0.4 2,-0.3 -0.939 2.1-177.0-124.3 150.7 9.3 20.9 15.4 114 453 A G E -eF 89 123A 0 9,-2.8 9,-2.5 -2,-0.3 2,-0.4 -0.856 25.3-133.5-132.8 173.6 9.2 18.7 18.5 115 454 A L E -eF 90 122A 0 -26,-0.9 -24,-0.9 -24,-0.4 7,-0.2 -0.996 40.7-110.1-119.1 132.2 7.5 15.8 20.1 116 455 A A > - 0 0 11 5,-2.5 3,-1.0 -2,-0.4 5,-0.3 -0.353 61.1 -68.3 -64.8 140.9 6.4 16.3 23.7 117 456 A K T 3 S- 0 0 105 1,-0.3 -1,-0.2 3,-0.1 -27,-0.0 -0.001 104.6 -39.4 -45.3 101.8 8.6 14.2 26.2 118 457 A K T 3 S+ 0 0 159 -3,-0.2 2,-1.3 1,-0.1 -1,-0.3 0.234 114.6 110.6 58.1 -8.0 7.6 10.7 25.3 119 458 A E S < S- 0 0 145 -3,-1.0 -3,-0.3 2,-0.1 2,-0.3 -0.523 79.6-127.7 -91.3 72.2 3.9 11.7 24.9 120 459 A E + 0 0 79 -2,-1.3 2,-0.4 -5,-0.1 11,-0.3 0.301 64.8 132.5 -23.6 65.6 3.6 11.3 21.1 121 460 A T - 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0 0 11 -3,-1.0 -1,-0.2 -6,-0.2 0, 0.0 -0.780 46.7-162.6 -82.6 102.4 54.6 41.3 54.9 395 515 B G > - 0 0 36 -2,-1.1 4,-0.9 -3,-0.1 5,-0.1 0.412 35.5 -73.6 -69.7-149.6 52.0 42.8 52.4 396 516 B P H > S+ 0 0 109 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.933 123.4 47.7 -79.9 -42.9 50.4 41.0 49.5 397 517 B I H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.915 109.8 49.3 -67.0 -53.5 53.3 40.8 47.0 398 518 B R H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.896 108.8 51.1 -56.7 -48.9 56.1 39.5 49.3 399 519 B K H X S+ 0 0 24 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.920 113.7 47.3 -54.4 -44.6 54.0 36.6 50.8 400 520 B K H X S+ 0 0 120 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.754 109.2 51.8 -69.1 -31.0 53.2 35.5 47.2 401 521 B K H X S+ 0 0 101 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.854 109.6 51.1 -70.6 -38.2 56.8 35.8 46.0 402 522 B L H X>S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.5 0.885 111.4 49.1 -64.9 -38.3 57.7 33.6 48.9 403 523 B I H X5S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.943 114.0 42.3 -70.6 -49.9 55.0 31.1 47.8 404 524 B E H <5S+ 0 0 114 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.900 121.3 43.5 -63.0 -40.3 56.0 30.9 44.2 405 525 B H H <5S+ 0 0 102 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.960 129.9 21.7 -69.2 -52.6 59.7 30.8 45.1 406 526 B F H <5S- 0 0 10 -4,-2.9 2,-0.9 -5,-0.2 -3,-0.2 0.798 75.0-167.2 -90.5 -34.0 59.6 28.4 48.0 407 527 B G << + 0 0 19 -4,-2.1 -23,-0.2 -5,-0.5 2,-0.2 0.005 64.9 23.5 72.3 -31.5 56.3 26.5 47.4 408 528 B S S > S- 0 0 11 -2,-0.9 4,-1.1 1,-0.1 -27,-0.1 -0.801 77.9-105.7-147.1-174.5 56.3 24.9 50.9 409 529 B L H > S+ 0 0 30 -2,-0.2 4,-2.3 2,-0.2 5,-0.3 0.824 113.9 61.3 -88.7 -44.6 57.5 25.0 54.6 410 530 B E H 4 S+ 0 0 136 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.874 112.0 44.4 -47.7 -36.0 60.1 22.2 54.2 411 531 B N H >4 S+ 0 0 72 2,-0.2 3,-1.0 -5,-0.2 4,-0.2 0.958 113.1 42.8 -75.4 -56.2 61.7 24.6 51.7 412 532 B I H >< S+ 0 0 13 -4,-1.1 3,-0.6 1,-0.3 -2,-0.2 0.709 110.6 57.4 -67.8 -24.3 61.6 28.0 53.3 413 533 B R T 3< S+ 0 0 168 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.636 103.7 53.9 -81.9 -15.6 62.8 26.6 56.6 414 534 B S T < S+ 0 0 98 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.496 96.1 101.8 -87.6 -0.9 65.9 25.2 54.9 415 535 B A S < S- 0 0 19 -3,-0.6 2,-0.2 -4,-0.2 -3,-0.0 -0.291 72.0-118.9 -88.4 161.7 66.6 28.7 53.6 416 536 B S > - 0 0 51 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.573 26.1-114.8 -90.2 158.6 69.1 31.3 54.7 417 537 B L H > S+ 0 0 25 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.891 119.5 55.0 -49.1 -42.5 68.1 34.7 55.9 418 538 B E H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 105.7 50.0 -65.1 -40.4 69.9 36.0 52.8 419 539 B E H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.969 111.2 48.7 -64.8 -48.2 67.9 33.9 50.4 420 540 B I H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 5,-0.2 0.909 109.3 52.7 -57.3 -43.7 64.6 35.0 52.0 421 541 B A H X>S+ 0 0 7 -4,-2.2 4,-2.8 1,-0.2 5,-1.3 0.894 107.7 51.4 -61.5 -40.9 65.6 38.7 51.8 422 542 B R H <5S+ 0 0 185 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.861 105.5 55.7 -62.1 -40.1 66.4 38.5 48.1 423 543 B V H <5S+ 0 0 24 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.908 126.2 21.0 -56.3 -44.3 63.1 36.9 47.3 424 544 B I H <5S- 0 0 4 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.524 103.3-120.7-106.1 -9.7 61.3 39.8 48.9 425 545 B G T <5S+ 0 0 57 -4,-2.8 2,-0.2 -5,-0.2 -3,-0.2 0.911 79.0 99.2 67.2 42.9 64.0 42.6 48.8 426 546 B S >< - 0 0 23 -5,-1.3 4,-1.6 -6,-0.1 -2,-0.1 -0.764 47.4-171.2-159.9 114.5 64.1 43.2 52.6 427 547 B T H > S+ 0 0 63 -2,-0.2 4,-2.1 2,-0.2 5,-0.2 0.899 93.1 55.7 -68.0 -38.4 66.6 41.8 55.1 428 548 B E H > S+ 0 0 134 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.938 110.1 43.5 -61.0 -48.9 64.4 43.2 58.0 429 549 B I H > S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.847 108.5 59.1 -65.3 -36.9 61.3 41.3 56.9 430 550 B A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.924 104.5 50.4 -55.7 -43.9 63.3 38.2 56.2 431 551 B R H < S+ 0 0 147 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.899 110.5 52.2 -57.8 -38.7 64.4 38.3 59.9 432 552 B R H < S+ 0 0 48 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.946 108.5 46.9 -61.5 -55.2 60.6 38.6 60.6 433 553 B V H < 0 0 28 -4,-2.9 -1,-0.2 -42,-0.1 -2,-0.2 0.871 360.0 360.0 -53.9 -40.1 59.7 35.5 58.6 434 554 B L < 0 0 121 -4,-2.5 -3,-0.1 -5,-0.2 -21,-0.0 0.350 360.0 360.0 -61.6 360.0 62.6 33.8 60.4