==== 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 2NRT . COMPND 2 MOLECULE: UVRABC SYSTEM PROTEIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR E.KARAKAS,J.J.TRUGLIO,C.KISKER . 217 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 11 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 1 0 0 1 0 2 1 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 0 1 2 0 0 1 0 0 0 1 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 1 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 1 341 A G 0 0 70 0, 0.0 2,-0.5 0, 0.0 46,-0.2 0.000 360.0 360.0 360.0 179.5 20.6 47.0 32.0 2 342 A L - 0 0 11 44,-2.8 2,-0.2 1,-0.1 137,-0.0 -0.745 360.0-113.9 -85.8 130.5 18.0 46.6 29.3 3 343 A R > - 0 0 184 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.437 10.2-142.1 -71.7 130.6 15.4 44.1 30.4 4 344 A K H > S+ 0 0 127 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.908 107.9 56.5 -57.2 -46.8 15.4 40.9 28.3 5 345 A E H > S+ 0 0 144 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.918 110.5 42.2 -40.3 -52.1 11.6 41.1 28.7 6 346 A A H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.841 109.1 57.8 -76.5 -30.2 11.7 44.6 27.1 7 347 A L H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.895 106.7 50.9 -61.4 -38.3 14.2 43.6 24.4 8 348 A E H X S+ 0 0 77 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.931 109.8 48.6 -65.4 -44.2 11.6 41.0 23.5 9 349 A E H X S+ 0 0 72 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.892 110.0 52.6 -63.0 -39.3 8.9 43.6 23.3 10 350 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 6,-0.2 0.921 104.9 54.7 -63.0 -42.9 11.2 45.8 21.2 11 351 A M H <>S+ 0 0 34 -4,-2.3 5,-2.4 2,-0.2 4,-0.4 0.941 110.6 47.0 -55.2 -45.2 11.8 43.0 18.7 12 352 A K H ><5S+ 0 0 154 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.963 110.3 51.7 -62.5 -50.5 8.0 42.7 18.3 13 353 A L H 3<5S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.833 116.9 38.4 -56.7 -37.1 7.4 46.4 17.9 14 354 A L T 3<5S- 0 0 4 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.392 107.9-125.0 -95.1 3.7 10.1 46.8 15.1 15 355 A N T < 5 + 0 0 147 -3,-1.6 2,-0.3 -4,-0.4 -3,-0.2 0.858 46.5 173.7 50.5 44.2 9.1 43.4 13.6 16 356 A M < - 0 0 20 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.630 31.4-156.0 -79.3 136.7 12.7 42.2 13.8 17 357 A K S S+ 0 0 198 -2,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.836 79.4 59.8 -74.4 -33.4 13.4 38.6 12.9 18 358 A D S S- 0 0 103 66,-0.1 -2,-0.1 -7,-0.1 0, 0.0 -0.747 92.2-109.0-102.2 141.3 16.5 38.6 15.1 19 359 A F - 0 0 53 -2,-0.3 2,-2.4 1,-0.1 3,-0.3 -0.469 37.5-114.0 -60.5 135.4 16.9 39.2 18.8 20 360 A P + 0 0 0 0, 0.0 26,-0.3 0, 0.0 3,-0.1 -0.424 58.2 152.8 -75.6 68.5 18.6 42.6 19.4 21 361 A Y + 0 0 111 -2,-2.4 24,-2.8 1,-0.2 2,-0.5 0.895 68.0 35.1 -67.4 -44.5 21.7 41.0 21.0 22 362 A R E S+A 44 0A 47 -3,-0.3 62,-1.9 22,-0.2 63,-1.3 -0.969 71.2 176.9-115.7 122.1 24.0 43.8 19.9 23 363 A I E -Ab 43 85A 1 20,-2.5 20,-3.0 -2,-0.5 2,-0.4 -0.984 8.7-165.4-121.2 132.0 22.7 47.3 19.9 24 364 A E E -Ab 42 86A 1 61,-2.1 63,-3.1 -2,-0.4 2,-0.4 -0.925 6.8-164.1-114.5 144.5 24.8 50.4 19.1 25 365 A G E -Ab 41 87A 0 16,-2.1 16,-2.5 -2,-0.4 2,-0.5 -0.986 4.3-150.4-133.6 141.5 23.7 53.9 19.9 26 366 A I E -Ab 40 88A 3 61,-2.1 63,-1.7 -2,-0.4 2,-0.4 -0.947 7.8-170.5-117.2 127.1 24.9 57.3 18.6 27 367 A D E -A 39 0A 7 12,-2.5 12,-2.4 -2,-0.5 2,-0.5 -0.917 12.4-155.2-102.9 136.3 25.0 60.8 20.3 28 368 A I E +A 38 0A 20 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.972 20.3 168.8-109.7 119.6 25.9 63.8 18.1 29 369 A S E -A 37 0A 49 8,-2.3 8,-3.3 -2,-0.5 2,-0.4 -0.999 20.0-145.1-133.1 136.5 27.3 66.7 20.0 30 370 A H E -A 36 0A 45 -2,-0.4 2,-0.7 6,-0.3 6,-0.3 -0.809 7.7-156.4-109.4 138.6 29.0 69.7 18.4 31 371 A L E >> -A 35 0A 28 4,-2.7 3,-2.2 -2,-0.4 4,-1.4 -0.939 35.5-121.7-110.0 106.6 31.9 71.9 19.7 32 372 A Q T 34 S+ 0 0 122 -2,-0.7 30,-0.2 1,-0.3 29,-0.1 -0.164 91.0 9.1 -53.9 131.8 31.5 75.2 18.0 33 373 A G T 34 S+ 0 0 43 28,-2.6 -1,-0.3 1,-0.1 28,-0.2 0.495 131.5 53.0 76.4 7.0 34.5 76.3 15.9 34 374 A K T <4 S- 0 0 117 -3,-2.2 26,-1.1 27,-0.4 2,-0.3 0.550 102.5 -55.5-132.8 -76.6 36.1 72.9 16.3 35 375 A Y E < -AC 31 59A 28 -4,-1.4 -4,-2.7 24,-0.2 2,-0.4 -0.986 38.5 -99.3-171.7 157.9 34.3 69.6 15.5 36 376 A T E -AC 30 58A 0 22,-2.8 22,-2.7 -2,-0.3 2,-0.6 -0.798 32.6-150.3 -85.3 133.5 31.3 67.4 16.0 37 377 A V E -AC 29 57A 4 -8,-3.3 -8,-2.3 -2,-0.4 2,-0.6 -0.958 6.8-163.4-104.9 117.1 31.9 64.5 18.4 38 378 A A E -AC 28 56A 1 18,-3.3 18,-2.2 -2,-0.6 2,-0.5 -0.931 8.6-159.6 -98.1 126.4 29.8 61.4 17.7 39 379 A S E -AC 27 55A 1 -12,-2.4 -12,-2.5 -2,-0.6 2,-0.5 -0.931 3.7-160.3-112.7 128.0 29.8 59.1 20.7 40 380 A L E -AC 26 54A 0 14,-3.1 14,-1.9 -2,-0.5 2,-0.3 -0.936 5.7-169.8-118.4 121.5 28.9 55.5 20.1 41 381 A V E -A 25 0A 0 -16,-2.5 -16,-2.1 -2,-0.5 2,-0.4 -0.733 8.2-148.5-106.2 159.6 27.8 53.1 22.8 42 382 A V E -A 24 0A 0 -2,-0.3 7,-2.5 -18,-0.2 2,-0.5 -0.994 7.5-168.8-132.2 126.7 27.4 49.3 22.7 43 383 A F E -AD 23 48A 7 -20,-3.0 -20,-2.5 -2,-0.4 2,-0.5 -0.984 6.2-167.9-111.4 130.4 24.9 47.1 24.5 44 384 A E E > S-AD 22 47A 55 3,-3.0 3,-1.9 -2,-0.5 -22,-0.2 -0.988 78.4 -15.6-120.3 118.8 25.5 43.3 24.4 45 385 A D T 3 S- 0 0 57 -24,-2.8 -1,-0.2 -2,-0.5 -24,-0.1 0.837 132.7 -51.9 51.7 37.6 22.6 41.2 25.6 46 386 A G T 3 S+ 0 0 2 -25,-0.5 -44,-2.8 -26,-0.3 -1,-0.3 0.415 118.4 107.7 85.5 0.6 21.2 44.3 27.2 47 387 A F E < S-D 44 0A 126 -3,-1.9 -3,-3.0 -46,-0.2 -1,-0.2 -0.894 75.3-105.0-114.3 141.2 24.4 45.3 29.1 48 388 A P E -D 43 0A 52 0, 0.0 2,-0.5 0, 0.0 -5,-0.2 -0.306 23.1-159.8 -56.2 137.0 26.8 48.0 28.4 49 389 A K > - 0 0 73 -7,-2.5 3,-2.0 1,-0.1 4,-0.3 -0.779 11.9-178.6-119.1 81.2 30.1 46.8 26.9 50 390 A K G > S+ 0 0 132 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.778 72.5 65.5 -62.6 -30.4 32.3 49.8 27.7 51 391 A G G 3 S+ 0 0 64 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.731 101.6 51.2 -59.7 -22.1 35.4 48.4 26.0 52 392 A D G < S+ 0 0 45 -3,-2.0 -1,-0.3 -10,-0.1 -2,-0.2 0.435 81.4 118.2 -97.8 -2.7 33.7 48.7 22.7 53 393 A Y < + 0 0 21 -3,-1.5 2,-0.3 -4,-0.3 -12,-0.2 -0.386 41.2 176.9 -64.7 146.7 32.6 52.3 23.0 54 394 A R E -C 40 0A 101 -14,-1.9 -14,-3.1 -2,-0.1 2,-0.3 -0.964 21.2-143.8-146.2 157.8 34.1 54.7 20.4 55 395 A R E -C 39 0A 74 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.893 5.7-158.1-120.3 160.9 34.0 58.3 19.3 56 396 A Y E -C 38 0A 32 -18,-2.2 -18,-3.3 -2,-0.3 2,-0.5 -0.995 9.1-150.7-135.0 133.9 34.2 59.8 15.8 57 397 A K E -C 37 0A 95 -2,-0.4 2,-0.6 -20,-0.2 -20,-0.2 -0.930 5.9-166.9-110.9 130.6 35.2 63.4 15.2 58 398 A I E -C 36 0A 11 -22,-2.7 -22,-2.8 -2,-0.5 2,-0.4 -0.949 21.3-137.1-119.1 106.5 33.9 65.4 12.2 59 399 A E E +C 35 0A 156 -2,-0.6 2,-0.3 -24,-0.2 -24,-0.2 -0.541 51.3 118.3 -73.4 124.0 35.9 68.6 11.7 60 400 A Q - 0 0 48 -26,-1.1 -26,-0.3 -2,-0.4 -29,-0.2 -0.851 59.1-132.2-179.7 139.8 33.7 71.6 10.9 61 401 A D S S+ 0 0 94 -2,-0.3 -28,-2.6 -28,-0.2 -27,-0.4 0.853 93.4 44.3 -69.9 -36.6 33.1 74.9 12.6 62 402 A H S S- 0 0 129 -30,-0.2 -26,-0.1 -29,-0.1 -31,-0.1 -0.798 94.0-101.0-112.8 149.1 29.3 74.7 12.4 63 403 A P + 0 0 68 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.335 33.1 171.4 -69.1 148.6 27.0 71.7 13.0 64 404 A D > + 0 0 79 -4,-0.1 4,-2.5 1,-0.0 5,-0.2 -0.571 8.2 178.3-149.9 82.0 25.6 69.5 10.3 65 405 A D H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.846 76.6 51.3 -65.3 -35.6 24.1 66.6 12.3 66 406 A Y H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 113.7 44.8 -67.9 -41.0 22.6 64.7 9.3 67 407 A E H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.881 111.6 54.9 -68.9 -34.2 26.0 64.8 7.5 68 408 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 107.6 48.2 -60.6 -45.9 27.7 63.8 10.8 69 409 A I H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.938 111.4 51.1 -61.2 -43.4 25.5 60.8 11.2 70 410 A R H X S+ 0 0 73 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.950 111.1 48.2 -57.4 -47.4 26.2 59.8 7.5 71 411 A T H X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.906 110.4 51.0 -60.9 -46.4 29.9 60.1 8.1 72 412 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.4 0.919 110.0 49.6 -56.2 -47.4 29.9 58.1 11.3 73 413 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.939 114.3 44.2 -62.6 -43.4 28.0 55.2 9.7 74 414 A K H X S+ 0 0 58 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.924 116.4 46.4 -68.4 -43.6 30.3 55.1 6.7 75 415 A R H < S+ 0 0 115 -4,-2.7 4,-0.3 -5,-0.2 3,-0.2 0.949 119.3 38.9 -61.4 -50.0 33.5 55.3 8.8 76 416 A R H >X S+ 0 0 2 -4,-2.9 4,-3.0 -5,-0.2 3,-1.6 0.948 116.4 45.8 -70.8 -49.0 32.4 52.8 11.4 77 417 A Y H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.570 99.2 69.2 -84.2 -2.5 30.7 50.2 9.3 78 418 A S T 3< S+ 0 0 95 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.644 120.2 21.7 -71.6 -17.8 33.5 50.1 6.7 79 419 A K T <4 S+ 0 0 171 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.696 122.1 52.0-117.0 -39.6 35.5 48.5 9.5 80 420 A H S < S- 0 0 42 -4,-3.0 -1,-0.2 -5,-0.1 2,-0.1 -0.744 83.3-106.7-107.8 152.0 33.1 47.0 12.0 81 421 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.373 44.3 -97.0 -67.9 158.6 30.2 44.6 11.5 82 422 A L - 0 0 49 -5,-0.1 -60,-0.0 1,-0.1 2,-0.0 -0.453 34.8-126.3 -71.5 147.8 26.7 45.9 11.8 83 423 A P - 0 0 7 0, 0.0 -60,-0.2 0, 0.0 3,-0.1 -0.244 27.2-106.7 -77.6 177.3 24.9 45.5 15.1 84 424 A N S S+ 0 0 46 -62,-1.9 2,-0.3 1,-0.3 -61,-0.2 0.764 105.5 13.1 -73.4 -26.2 21.5 43.9 15.3 85 425 A L E -b 23 0A 0 -63,-1.3 -61,-2.1 24,-0.1 2,-0.5 -0.969 66.4-150.8-153.0 136.8 20.0 47.3 15.8 86 426 A L E -be 24 111A 0 24,-2.4 26,-2.7 -2,-0.3 2,-0.4 -0.957 12.9-159.0-110.5 125.9 21.3 50.9 15.5 87 427 A F E -be 25 112A 0 -63,-3.1 -61,-2.1 -2,-0.5 2,-0.4 -0.882 5.1-167.1-102.3 131.8 19.8 53.6 17.8 88 428 A V E -be 26 113A 2 24,-2.3 2,-1.7 -2,-0.4 26,-1.0 -0.960 26.5-124.5-118.2 138.0 20.1 57.3 16.8 89 429 A D S S+ 0 0 17 -63,-1.7 2,-0.3 -2,-0.4 -61,-0.2 -0.607 83.5 38.9 -80.8 82.6 19.4 60.1 19.2 90 430 A G S S- 0 0 0 -2,-1.7 24,-0.6 24,-0.4 -2,-0.2 -0.905 79.8 -87.9 158.0 179.5 16.7 61.9 17.2 91 431 A G S > S- 0 0 10 -2,-0.3 4,-2.8 22,-0.2 5,-0.3 0.330 72.0 -33.3 -97.7-142.3 13.8 61.5 14.9 92 432 A I H > S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 129.8 50.7 -54.4 -44.2 13.0 61.2 11.2 93 433 A G H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 114.8 41.8 -62.6 -45.7 15.9 63.3 9.9 94 434 A Q H > S+ 0 0 30 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.918 115.5 49.4 -67.5 -45.3 18.5 61.5 11.9 95 435 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.939 111.8 48.8 -61.1 -46.1 17.1 58.0 11.2 96 436 A N H X S+ 0 0 48 -4,-2.6 4,-2.5 -5,-0.3 5,-0.2 0.891 106.0 56.9 -67.1 -32.4 16.9 58.7 7.6 97 437 A A H X S+ 0 0 16 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.919 110.3 45.5 -61.1 -44.4 20.5 60.0 7.4 98 438 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.936 112.4 50.0 -66.0 -43.9 21.7 56.7 8.9 99 439 A I H X S+ 0 0 38 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 111.0 48.8 -59.9 -45.1 19.5 54.5 6.6 100 440 A E H X S+ 0 0 100 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.901 111.2 50.3 -67.0 -38.8 20.7 56.4 3.5 101 441 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.923 109.7 51.0 -61.9 -41.8 24.3 56.0 4.6 102 442 A L H <>S+ 0 0 4 -4,-2.4 5,-2.7 1,-0.2 3,-0.3 0.912 108.4 52.0 -61.2 -41.9 23.9 52.3 5.1 103 443 A K H ><5S+ 0 0 135 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.893 105.5 57.4 -61.9 -39.1 22.3 52.0 1.7 104 444 A E H 3<5S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.8 41.5 -57.3 -40.5 25.4 53.8 0.2 105 445 A I T 3<5S- 0 0 52 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.231 117.8-109.1 -98.8 11.8 27.9 51.3 1.6 106 446 A G T < 5S+ 0 0 71 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.836 75.3 129.7 69.4 36.3 25.7 48.3 0.7 107 447 A K < - 0 0 77 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.838 39.3-160.4-122.1 157.5 24.7 47.4 4.3 108 448 A D + 0 0 147 -2,-0.3 -26,-0.1 2,-0.0 -9,-0.0 -0.948 24.6 137.3-144.5 117.7 21.4 46.7 6.0 109 449 A C - 0 0 11 -2,-0.4 -24,-0.1 -10,-0.1 -25,-0.1 -0.976 55.5 -89.9-150.0 154.4 20.4 46.8 9.6 110 450 A P - 0 0 43 0, 0.0 -24,-2.4 0, 0.0 2,-0.4 -0.408 38.6-160.0 -61.6 139.2 17.3 48.2 11.5 111 451 A V E -e 86 0A 4 -26,-0.2 13,-0.5 -2,-0.1 2,-0.3 -0.996 10.1-178.4-125.6 127.2 17.6 51.8 12.6 112 452 A V E -eF 87 123A 0 -26,-2.7 -24,-2.3 -2,-0.4 2,-0.3 -0.942 2.0-172.8-125.6 142.8 15.4 53.2 15.4 113 453 A G E -eF 88 122A 0 9,-2.4 9,-2.4 -2,-0.3 2,-0.4 -0.873 19.1-141.9-126.2 172.8 15.3 56.7 16.8 114 454 A L E - F 0 121A 1 -26,-1.0 -24,-0.4 -24,-0.6 7,-0.2 -0.998 31.7-119.0-132.8 121.3 13.7 58.6 19.6 115 455 A A > - 0 0 14 5,-3.1 4,-1.1 -2,-0.4 -25,-0.1 -0.388 23.3-130.0 -61.5 142.2 12.5 62.1 18.9 116 456 A K T 4 S+ 0 0 112 1,-0.2 -1,-0.1 2,-0.1 -26,-0.0 0.912 96.9 24.3 -66.5 -43.1 14.4 64.5 21.1 117 457 A K T 4 S+ 0 0 182 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.805 129.4 36.4 -91.3 -35.6 11.5 66.5 22.5 118 458 A E T 4 S- 0 0 126 2,-0.1 -2,-0.1 0, 0.0 3,-0.1 0.532 89.4-132.0-101.7 -12.4 8.4 64.2 22.2 119 459 A E < + 0 0 59 -4,-1.1 11,-0.3 1,-0.2 2,-0.3 0.815 50.7 157.7 55.8 34.9 9.9 60.8 22.9 120 460 A T - 0 0 6 9,-0.1 -5,-3.1 1,-0.0 2,-0.3 -0.641 42.9-121.9 -82.1 142.7 8.2 59.5 19.9 121 461 A V E -FG 114 128A 0 7,-2.6 7,-2.8 -2,-0.3 2,-0.5 -0.715 23.3-155.7 -87.5 133.8 9.8 56.3 18.4 122 462 A V E +FG 113 127A 0 -9,-2.4 -9,-2.4 -2,-0.3 2,-0.3 -0.975 26.7 147.2-118.2 127.5 10.9 56.6 14.8 123 463 A F E > -FG 112 126A 7 3,-2.4 3,-1.3 -2,-0.5 -11,-0.1 -0.949 62.5 -0.7-160.9 132.1 11.2 53.5 12.6 124 464 A E T 3 S- 0 0 134 -13,-0.5 3,-0.1 -2,-0.3 -12,-0.1 0.894 127.8 -54.4 47.7 48.8 10.7 52.7 8.9 125 465 A N T 3 S+ 0 0 109 1,-0.2 2,-0.3 -33,-0.1 -1,-0.3 0.755 118.4 102.7 59.3 29.9 9.7 56.2 8.1 126 466 A R E < -G 123 0A 138 -3,-1.3 -3,-2.4 2,-0.0 2,-0.4 -0.973 66.3-129.9-135.7 152.3 7.0 56.4 10.7 127 467 A E E -G 122 0A 95 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.811 17.3-159.4 -93.2 139.1 6.5 57.9 14.1 128 468 A I E -G 121 0A 22 -7,-2.8 -7,-2.6 -2,-0.4 2,-0.8 -0.993 4.1-159.2-119.8 116.0 5.1 55.5 16.8 129 469 A H - 0 0 126 -2,-0.5 -9,-0.1 -9,-0.2 -10,-0.1 -0.882 17.3-174.8-101.3 106.5 3.6 57.4 19.6 130 470 A L - 0 0 34 -2,-0.8 2,-0.0 -11,-0.3 -2,-0.0 -0.615 34.2 -90.5 -97.2 157.4 3.5 55.1 22.7 131 471 A P > - 0 0 78 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.366 46.4-107.3 -62.2 153.2 2.0 55.7 26.1 132 472 A H T 3 S+ 0 0 141 1,-0.3 -2,-0.1 5,-0.1 6,-0.0 0.807 116.4 44.5 -60.4 -34.2 4.5 57.2 28.5 133 473 A D T 3 S+ 0 0 110 4,-0.1 -1,-0.3 5,-0.0 5,-0.0 0.295 78.7 136.3 -96.4 12.8 5.0 54.1 30.6 134 474 A H <> - 0 0 49 -3,-2.1 4,-2.3 1,-0.2 5,-0.2 -0.342 58.9-130.7 -60.7 136.2 5.3 51.7 27.7 135 475 A P H > S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.803 105.9 52.6 -59.9 -33.6 8.2 49.3 28.3 136 476 A V H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.899 108.6 50.3 -71.5 -37.2 9.7 49.9 24.8 137 477 A L H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.953 110.9 49.3 -63.0 -42.6 9.7 53.6 25.3 138 478 A R H X S+ 0 0 104 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.877 110.1 51.5 -64.2 -39.8 11.5 53.1 28.7 139 479 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 109.8 48.5 -62.5 -45.7 14.0 50.8 27.1 140 480 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.887 109.0 53.6 -66.7 -34.6 14.8 53.4 24.4 141 481 A V H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.901 105.5 54.7 -62.9 -36.4 15.1 56.1 27.0 142 482 A Q H X S+ 0 0 70 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.897 109.3 47.1 -64.6 -40.9 17.7 53.9 28.8 143 483 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.935 112.4 49.4 -63.4 -46.5 19.7 53.7 25.6 144 484 A R H X S+ 0 0 40 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.913 108.5 53.5 -58.4 -43.0 19.5 57.4 25.0 145 485 A D H X S+ 0 0 58 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.886 109.1 48.3 -64.4 -36.2 20.5 58.1 28.6 146 486 A E H X S+ 0 0 16 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.892 109.3 52.5 -71.9 -36.0 23.7 55.9 28.2 147 487 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.926 113.1 46.4 -61.8 -41.8 24.6 57.7 24.8 148 488 A H H X S+ 0 0 65 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.905 109.3 52.5 -65.0 -45.8 24.3 61.0 26.7 149 489 A R H X S+ 0 0 150 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.942 113.1 44.9 -57.3 -45.9 26.3 59.9 29.7 150 490 A F H < S+ 0 0 35 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.921 112.5 52.2 -67.0 -41.4 29.1 58.7 27.4 151 491 A A H >< S+ 0 0 8 -4,-2.3 3,-1.8 -5,-0.3 4,-0.3 0.958 107.5 50.8 -56.6 -46.1 28.9 61.9 25.3 152 492 A V H >< S+ 0 0 107 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.827 98.3 68.3 -64.8 -29.0 29.1 64.2 28.4 153 493 A S G >< S+ 0 0 46 -4,-1.5 3,-1.7 1,-0.3 4,-0.3 0.616 76.1 83.3 -72.2 -8.4 32.2 62.3 29.5 154 494 A Y G < S+ 0 0 78 -3,-1.8 3,-0.3 -4,-0.4 -1,-0.3 0.915 97.1 43.2 -55.8 -37.3 34.2 63.7 26.6 155 495 A H G <> S+ 0 0 94 -3,-1.4 4,-2.6 -4,-0.3 5,-0.3 0.322 85.2 113.4 -84.2 8.1 34.7 66.7 28.8 156 496 A R H <> S+ 0 0 147 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.861 70.9 45.7 -60.1 -53.8 35.5 64.8 31.9 157 497 A K H > S+ 0 0 70 -4,-0.3 4,-1.8 -3,-0.3 -1,-0.2 0.899 119.0 44.2 -62.3 -38.3 39.1 65.6 32.7 158 498 A R H > S+ 0 0 58 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.967 113.7 48.4 -66.6 -54.7 38.6 69.3 32.1 159 499 A R H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.866 111.4 53.3 -51.0 -40.4 35.3 69.6 34.0 160 500 A E H X S+ 0 0 48 -4,-2.7 4,-2.1 -5,-0.3 29,-0.3 0.880 107.8 46.9 -68.8 -44.9 36.9 67.7 36.9 161 501 A K H X S+ 0 0 59 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.916 113.2 51.0 -61.8 -42.2 39.9 70.0 37.3 162 502 A E H X S+ 0 0 113 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.887 111.9 45.5 -63.7 -41.9 37.6 73.0 37.1 163 503 A S H X S+ 0 0 49 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.843 112.2 51.9 -70.0 -35.3 35.2 71.7 39.8 164 504 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 23,-0.2 -2,-0.2 0.928 109.8 50.4 -61.4 -48.4 38.2 70.7 42.1 165 505 A R H X S+ 0 0 92 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.908 107.5 53.0 -57.0 -46.9 39.6 74.2 41.7 166 506 A S H < S+ 0 0 78 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.881 111.7 45.2 -57.6 -43.4 36.2 75.8 42.6 167 507 A V H >< S+ 0 0 31 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.930 112.1 51.6 -69.1 -43.8 36.0 73.7 45.9 168 508 A L H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.774 96.1 70.2 -62.7 -27.9 39.6 74.4 46.8 169 509 A D T 3< S+ 0 0 91 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.622 92.9 58.4 -68.9 -11.9 39.1 78.2 46.3 170 510 A N T < S+ 0 0 124 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.417 80.4 103.6 -91.2 -1.3 36.9 78.1 49.5 171 511 A V S X S- 0 0 7 -3,-1.9 3,-0.9 -4,-0.2 2,-0.2 -0.698 76.6-127.1 -79.6 118.8 39.8 76.7 51.6 172 512 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.471 80.0 6.8 -70.8 137.5 41.1 79.6 53.6 173 513 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -2,-0.2 36,-0.0 0.768 86.7 125.3 73.2 26.5 44.8 80.4 53.5 174 514 A I < - 0 0 11 -3,-0.9 -1,-0.2 -6,-0.1 -3,-0.1 -0.984 51.0-142.3-111.9 127.6 46.0 78.1 50.8 175 515 A G > - 0 0 36 -2,-0.5 4,-2.0 -3,-0.1 5,-0.2 -0.197 25.6 -97.7 -81.6 176.6 47.8 79.9 48.0 176 516 A P H > S+ 0 0 83 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.845 117.9 56.7 -66.4 -36.9 47.6 79.2 44.2 177 517 A I H > S+ 0 0 125 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.932 111.4 43.2 -63.5 -46.1 50.9 77.1 44.0 178 518 A R H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 112.6 53.0 -64.6 -38.8 49.6 74.6 46.7 179 519 A K H X S+ 0 0 35 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.910 110.6 48.3 -61.6 -39.2 46.1 74.5 45.1 180 520 A K H X S+ 0 0 104 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.873 106.4 55.3 -70.6 -35.1 47.7 73.7 41.8 181 521 A K H X S+ 0 0 108 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.896 110.4 48.1 -61.5 -35.4 49.9 71.0 43.3 182 522 A L H X>S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.913 111.4 48.5 -71.5 -44.3 46.7 69.4 44.5 183 523 A I H X5S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.937 113.4 47.5 -61.4 -45.4 44.9 69.7 41.2 184 524 A E H <5S+ 0 0 129 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.926 118.4 40.6 -67.0 -37.3 47.8 68.2 39.4 185 525 A H H <5S+ 0 0 121 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.920 129.4 25.1 -72.5 -49.4 48.2 65.3 41.8 186 526 A F H <5S- 0 0 14 -4,-2.9 2,-1.4 -5,-0.2 -3,-0.2 0.749 77.6-163.7 -92.9 -30.7 44.6 64.4 42.5 187 527 A G << + 0 0 18 -4,-2.0 2,-0.3 -5,-0.5 -23,-0.2 -0.058 63.5 30.6 75.3 -38.9 42.9 65.6 39.3 188 528 A S S > S- 0 0 7 -2,-1.4 4,-2.1 -24,-0.1 5,-0.2 -0.965 78.0-109.4-149.0 164.7 39.3 65.6 40.7 189 529 A L H > S+ 0 0 24 -29,-0.3 4,-1.7 -2,-0.3 5,-0.1 0.847 116.2 54.3 -60.2 -43.7 37.1 65.9 43.8 190 530 A E H > S+ 0 0 142 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.905 110.7 48.6 -56.8 -40.6 36.2 62.2 43.9 191 531 A N H >4 S+ 0 0 80 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.917 112.2 44.6 -67.2 -49.3 40.0 61.5 44.0 192 532 A I H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.755 108.3 60.0 -72.6 -21.7 40.9 64.0 46.7 193 533 A R H 3< S+ 0 0 136 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.687 102.1 53.3 -77.4 -16.6 37.9 62.8 48.7 194 534 A S T << S+ 0 0 93 -3,-0.8 2,-0.2 -4,-0.7 -1,-0.2 0.442 94.8 101.8 -90.8 -1.2 39.4 59.3 48.8 195 535 A A S < S- 0 0 17 -3,-0.7 2,-0.1 -4,-0.2 -3,-0.0 -0.595 70.1-122.4 -89.5 146.7 42.7 60.6 50.1 196 536 A S > - 0 0 44 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.356 27.5-111.9 -73.7 156.9 44.1 60.5 53.7 197 537 A L H > S+ 0 0 58 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.924 121.1 51.5 -47.8 -52.3 45.1 63.6 55.6 198 538 A E H > S+ 0 0 134 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.860 107.8 51.0 -56.9 -41.2 48.7 62.5 55.4 199 539 A E H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.957 113.9 43.7 -64.9 -47.8 48.4 62.0 51.6 200 540 A I H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 6,-0.2 0.922 114.1 51.6 -61.2 -45.6 47.0 65.5 51.1 201 541 A A H X>S+ 0 0 6 -4,-3.0 4,-1.3 1,-0.2 5,-1.2 0.872 106.1 53.7 -59.4 -42.8 49.6 67.0 53.6 202 542 A R H <5S+ 0 0 171 -4,-2.3 3,-0.2 1,-0.2 -1,-0.2 0.887 105.0 55.3 -61.9 -39.6 52.5 65.3 51.8 203 543 A V H <5S+ 0 0 29 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 122.0 26.1 -62.5 -37.2 51.5 66.8 48.5 204 544 A I H <5S- 0 0 4 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.408 103.9-119.2-109.7 1.9 51.5 70.4 49.8 205 545 A G T <5S+ 0 0 64 -4,-1.3 2,-0.3 -3,-0.2 -3,-0.2 0.702 82.3 93.0 71.2 21.5 54.0 70.1 52.7 206 546 A S >< - 0 0 24 -5,-1.2 4,-2.2 -6,-0.2 -2,-0.1 -0.868 47.0-174.3-155.8 115.9 51.5 71.1 55.3 207 547 A T H > S+ 0 0 65 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.813 93.7 59.7 -73.0 -34.9 49.2 69.2 57.6 208 548 A E H > S+ 0 0 118 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.972 111.7 38.8 -58.6 -50.0 47.7 72.4 58.9 209 549 A I H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.910 113.8 55.5 -67.9 -39.8 46.6 73.3 55.4 210 550 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.889 103.2 56.5 -61.3 -36.0 45.6 69.7 54.5 211 551 A R H X S+ 0 0 142 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.913 108.1 48.3 -60.9 -40.0 43.3 69.6 57.6 212 552 A R H X S+ 0 0 71 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.855 106.6 54.6 -71.9 -36.0 41.4 72.6 56.2 213 553 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.948 110.1 48.4 -56.5 -45.2 41.1 71.1 52.8 214 554 A L H < S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.912 108.2 55.1 -64.6 -40.8 39.5 68.1 54.5 215 555 A D H < S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.956 113.7 39.4 -51.3 -55.6 37.1 70.4 56.5 216 556 A I H < 0 0 59 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 360.0 360.0 -78.9 -23.1 35.8 72.1 53.4 217 557 A L < 0 0 44 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.758 360.0 360.0 -67.5 360.0 35.7 68.9 51.2