==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (LYASE/HYDROLASE) 20-NOV-97 1AZS . COMPND 2 MOLECULE: VC1; . SOURCE 2 ORGANISM_SCIENTIFIC: CANIS LUPUS FAMILIARIS; . AUTHOR J.J.G.TESMER,S.R.SPRANG . 718 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 511 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 40 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 2 2 1 2 0 2 1 2 2 1 0 1 0 0 0 1 0 0 1 2 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 1 3 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 PARALLEL BRIDGES PER LADDER . 1 1 3 0 2 3 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 376 A D 0 0 169 0, 0.0 5,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -71.4 29.2 -27.1 36.9 2 377 A M + 0 0 130 3,-0.1 4,-0.1 2,-0.0 3,-0.1 0.904 360.0 7.9-102.0 -65.2 28.8 -26.5 33.1 3 378 A M S S+ 0 0 43 1,-0.1 2,-0.4 607,-0.1 608,-0.1 0.748 128.2 45.7 -96.6 -28.8 30.3 -23.3 31.7 4 379 A F S S- 0 0 8 606,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.943 101.1-103.8-105.2 138.8 32.1 -21.9 34.8 5 380 A H - 0 0 70 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.1 -0.323 50.8 -90.0 -54.5 143.2 34.2 -24.5 36.7 6 381 A K - 0 0 121 -5,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.317 43.9-136.5 -56.7 131.8 32.4 -25.5 39.8 7 382 A I - 0 0 35 -3,-0.1 2,-0.8 2,-0.1 115,-0.1 -0.809 9.7-156.1 -96.0 137.1 33.4 -23.3 42.7 8 383 A Y E +A 121 0A 106 113,-0.7 113,-2.1 -2,-0.4 2,-0.3 -0.736 57.3 109.4-107.8 74.6 34.2 -24.7 46.2 9 384 A I E -A 120 0A 18 -2,-0.8 2,-0.3 111,-0.2 111,-0.2 -0.988 40.6-176.3-149.1 149.0 33.4 -21.6 48.2 10 385 A Q E -A 119 0A 118 109,-1.8 109,-1.8 -2,-0.3 2,-0.1 -0.994 26.9-112.5-153.7 142.2 30.6 -20.5 50.6 11 386 A K E -A 118 0A 80 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.420 30.5-176.6 -74.6 147.0 29.6 -17.4 52.5 12 387 A H E -A 117 0A 42 105,-2.1 105,-2.4 -2,-0.1 3,-0.2 -0.974 6.5-159.8-145.5 129.1 29.8 -17.3 56.3 13 388 A D E + 0 0 81 -2,-0.3 103,-0.2 103,-0.2 102,-0.0 -0.532 65.7 35.9-102.0 171.5 28.7 -14.5 58.7 14 389 A N E S+ 0 0 83 1,-0.2 63,-0.3 -2,-0.2 2,-0.3 0.861 79.4 136.9 57.1 46.5 29.7 -13.8 62.3 15 390 A V E -A 115 0A 1 100,-2.3 100,-2.1 -3,-0.2 2,-0.4 -0.755 45.2-138.3-117.2 163.1 33.4 -14.9 62.1 16 391 A S E -AB 114 71A 0 55,-2.1 55,-1.7 -2,-0.3 2,-0.5 -0.990 13.4-151.2-129.5 127.2 36.5 -13.2 63.5 17 392 A I E -AB 113 70A 0 96,-2.9 96,-1.2 -2,-0.4 2,-0.4 -0.844 7.4-163.2-106.8 122.8 39.8 -13.1 61.6 18 393 A L E -AB 112 69A 0 51,-2.0 51,-1.1 -2,-0.5 2,-0.4 -0.822 6.1-176.4-107.4 138.5 43.2 -13.0 63.2 19 394 A F E -AB 111 68A 13 92,-2.5 92,-1.7 -2,-0.4 2,-0.4 -0.994 4.2-179.7-131.1 137.5 46.5 -11.9 61.6 20 395 A A E -AB 110 67A 0 47,-2.3 47,-2.4 -2,-0.4 2,-0.3 -1.000 4.8-174.4-141.7 139.7 49.9 -12.0 63.1 21 396 A D E -A 109 0A 23 88,-1.4 88,-1.6 -2,-0.4 2,-0.8 -0.828 32.8-105.8-123.4 163.2 53.4 -11.1 61.9 22 397 A I E > -A 108 0A 6 -2,-0.3 3,-1.5 86,-0.2 2,-0.3 -0.851 29.3-141.2 -98.7 110.9 56.9 -11.4 63.5 23 398 A E E 3 S+A 107 0A 69 84,-3.8 84,-1.4 -2,-0.8 0, 0.0 -0.541 88.9 7.7 -65.3 124.7 58.3 -8.2 64.7 24 399 A G T 3> S+ 0 0 30 -2,-0.3 4,-1.2 82,-0.2 -1,-0.3 0.778 82.9 145.7 70.8 27.5 62.0 -8.0 64.0 25 400 A F H <> + 0 0 37 -3,-1.5 4,-1.8 1,-0.2 5,-0.1 0.854 67.5 55.8 -62.3 -35.7 61.8 -11.2 61.9 26 401 A T H > S+ 0 0 42 -4,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.832 103.4 52.5 -69.6 -34.1 64.5 -9.8 59.6 27 402 A S H > S+ 0 0 57 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.824 108.3 52.9 -70.3 -30.6 67.1 -9.2 62.4 28 403 A L H >X S+ 0 0 11 -4,-1.2 4,-1.5 1,-0.2 3,-0.6 0.911 105.8 52.6 -67.4 -44.2 66.5 -12.8 63.5 29 404 A A H 3< S+ 0 0 39 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.706 104.3 59.1 -64.1 -21.8 67.2 -14.1 59.9 30 405 A S H 3< S+ 0 0 90 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.825 106.5 47.0 -73.6 -35.2 70.5 -12.1 60.1 31 406 A Q H << S+ 0 0 141 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.1 0.879 106.6 51.4 -78.2 -43.7 71.8 -14.0 63.1 32 407 A C S < S- 0 0 24 -4,-1.5 70,-0.0 1,-0.2 2,-0.0 -0.400 86.0 -90.0-101.8 171.7 71.2 -17.6 62.3 33 408 A T > - 0 0 83 -2,-0.1 4,-1.6 1,-0.1 -1,-0.2 -0.256 42.2-108.1 -69.1 162.7 71.9 -20.1 59.5 34 409 A A H > S+ 0 0 68 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.899 120.5 44.6 -60.3 -37.8 69.4 -20.6 56.7 35 410 A Q H > S+ 0 0 115 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.929 108.5 52.4 -72.6 -51.8 68.5 -24.0 58.2 36 411 A E H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.795 106.6 58.3 -54.8 -31.0 68.3 -23.1 61.8 37 412 A L H X S+ 0 0 31 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.930 103.0 50.8 -64.3 -46.7 65.9 -20.3 60.8 38 413 A V H X S+ 0 0 5 -4,-1.2 4,-2.5 -3,-0.3 -1,-0.2 0.749 110.9 50.0 -65.6 -24.9 63.5 -22.8 59.2 39 414 A M H X S+ 0 0 98 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.855 110.1 46.9 -82.7 -39.3 63.5 -24.9 62.4 40 415 A T H X S+ 0 0 17 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.910 120.0 42.9 -63.8 -43.6 62.7 -22.0 64.8 41 416 A L H X S+ 0 0 13 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.970 115.5 46.5 -64.6 -57.3 60.0 -21.0 62.4 42 417 A N H X S+ 0 0 32 -4,-2.5 4,-1.3 1,-0.2 273,-0.4 0.833 115.8 48.0 -57.6 -35.8 58.7 -24.4 61.7 43 418 A E H X S+ 0 0 118 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.920 109.6 50.0 -73.4 -46.3 58.7 -25.2 65.4 44 419 A L H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.902 113.1 47.8 -58.5 -42.6 57.0 -22.0 66.5 45 420 A F H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 271,-0.4 0.799 105.7 57.1 -71.3 -29.5 54.2 -22.6 63.9 46 421 A A H X S+ 0 0 29 -4,-1.3 4,-0.7 -5,-0.2 -1,-0.2 0.877 109.6 47.8 -65.5 -36.2 53.8 -26.2 65.0 47 422 A R H >X S+ 0 0 128 -4,-1.8 4,-1.7 1,-0.2 3,-0.9 0.912 107.7 53.7 -68.5 -45.8 53.1 -24.7 68.5 48 423 A F H 3X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.858 101.6 60.3 -56.8 -38.9 50.7 -22.1 67.1 49 424 A D H 3X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.796 104.1 50.5 -61.0 -30.5 48.7 -24.9 65.4 50 425 A K H XX S+ 0 0 106 -3,-0.9 4,-2.2 -4,-0.7 3,-0.6 0.964 108.0 50.2 -69.1 -54.7 48.1 -26.5 68.9 51 426 A L H 3X S+ 0 0 8 -4,-1.7 4,-3.4 1,-0.3 6,-0.2 0.821 106.2 60.2 -52.3 -34.6 46.9 -23.3 70.5 52 427 A A H 3X>S+ 0 0 2 -4,-1.9 5,-2.5 2,-0.2 4,-0.7 0.924 105.8 44.4 -60.6 -48.1 44.5 -23.0 67.5 53 428 A A H <<5S+ 0 0 64 -4,-1.2 3,-0.2 -3,-0.6 -2,-0.2 0.882 117.4 46.6 -65.2 -39.8 42.8 -26.3 68.2 54 429 A E H <5S+ 0 0 117 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.979 116.3 42.3 -64.8 -56.2 42.6 -25.4 71.9 55 430 A N H <5S- 0 0 22 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.474 113.9-116.5 -73.9 -2.5 41.3 -21.9 71.4 56 431 A H T <5 + 0 0 96 -4,-0.7 16,-0.6 1,-0.3 2,-0.4 0.763 65.7 140.9 73.3 28.0 38.9 -23.1 68.6 57 432 A C E < -C 71 0A 9 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.3 -0.832 49.9-134.1 -97.9 139.2 40.5 -21.1 65.7 58 433 A L E -C 70 0A 52 12,-2.5 12,-1.9 -2,-0.4 2,-0.2 -0.864 24.0-132.8 -91.5 116.0 40.7 -22.8 62.3 59 434 A R E -C 69 0A 10 -2,-0.7 10,-0.3 10,-0.2 3,-0.1 -0.524 25.0-176.7 -68.7 132.4 44.3 -22.1 61.0 60 435 A I E - 0 0 0 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.876 48.9 -28.0 -94.0 -76.1 44.2 -20.9 57.4 61 436 A K E -C 68 0A 7 7,-0.9 7,-1.6 67,-0.1 2,-0.5 -0.895 38.0-133.0-141.6 165.7 47.8 -20.4 56.1 62 437 A I E -C 67 0A 14 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.986 22.1-178.1-119.3 115.6 51.4 -19.6 56.9 63 438 A L E > -C 66 0A 41 3,-2.9 3,-2.0 -2,-0.5 2,-0.6 -0.830 62.5 -65.6-115.2 90.1 52.9 -17.0 54.5 64 439 A G T 3 S- 0 0 34 -2,-0.6 265,-0.0 1,-0.3 260,-0.0 -0.580 119.5 -15.1 70.4-113.3 56.5 -16.5 55.5 65 440 A D T 3 S+ 0 0 28 -2,-0.6 2,-0.6 -43,-0.1 -1,-0.3 0.301 117.9 100.9-102.9 6.5 56.4 -15.0 59.0 66 441 A C E < - C 0 63A 17 -3,-2.0 -3,-2.9 -45,-0.2 2,-0.4 -0.839 50.9-175.7 -98.7 117.5 52.7 -14.1 58.6 67 442 A Y E +BC 20 62A 0 -47,-2.4 -47,-2.3 -2,-0.6 2,-0.3 -0.886 4.4 175.9-114.1 140.1 50.3 -16.5 60.4 68 443 A Y E +BC 19 61A 14 -7,-1.6 -8,-2.5 -2,-0.4 -7,-0.9 -0.986 8.4 158.3-151.7 143.8 46.5 -16.3 60.2 69 444 A C E -BC 18 59A 0 -51,-1.1 -51,-2.0 -2,-0.3 2,-0.3 -0.765 22.3-138.2-143.3-176.3 43.4 -18.2 61.4 70 445 A V E -BC 17 58A 0 -12,-1.9 -12,-2.5 -2,-0.2 3,-0.5 -0.937 4.9-145.2-159.5 128.2 39.7 -17.6 62.1 71 446 A S E S+BC 16 57A 0 -55,-1.7 -55,-2.1 -2,-0.3 -14,-0.2 -0.763 82.2 57.2 -93.0 146.0 37.3 -18.6 64.7 72 447 A G S S+ 0 0 2 -16,-0.6 -1,-0.2 1,-0.5 -15,-0.1 0.332 88.7 141.3 111.6 -1.4 33.7 -19.3 63.7 73 448 A L + 0 0 7 -3,-0.5 -1,-0.5 -17,-0.3 -3,-0.1 -0.949 55.8 6.0-126.4 150.1 34.8 -21.9 61.2 74 449 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.905 138.2 15.2 -72.2 -32.2 34.0 -24.5 60.2 75 450 A E S S- 0 0 155 -2,-0.1 -3,-0.2 1,-0.1 2,-0.0 -0.799 94.3 -90.6-108.2 148.8 30.8 -24.3 62.2 76 451 A A - 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N 0 368B 32 -4,-1.8 -4,-3.3 2,-0.0 -1,-0.3 -0.366 52.3 -17.4 75.6-158.9 70.4 -3.5 51.1 373 1069 B D E + N 0 367B 114 -6,-0.3 2,-0.3 -2,-0.1 -6,-0.2 -0.433 65.5 179.5 -80.6 155.4 70.3 -2.1 47.6 374 1070 B L E - N 0 366B 32 -8,-1.5 -8,-1.9 -2,-0.1 2,-0.3 -0.967 26.9-112.3-162.4 145.1 70.5 -4.2 44.5 375 1071 B K E - N 0 365B 88 -2,-0.3 -28,-0.8 -10,-0.2 2,-0.3 -0.553 34.2-172.7 -85.7 136.5 70.5 -3.9 40.7 376 1072 B T E -MN 346 364B 0 -12,-2.0 -13,-2.1 -2,-0.3 -12,-1.0 -0.781 9.5-155.1-127.9 166.5 67.7 -5.4 38.6 377 1073 B Y E -MN 345 362B 36 -32,-2.5 -32,-2.8 -15,-0.3 2,-0.4 -0.932 13.1-134.9-139.2 156.6 66.7 -6.0 35.0 378 1074 B F E -MN 344 361B 31 -17,-2.3 -17,-2.1 -2,-0.3 -34,-0.2 -0.940 29.0-122.8-110.4 137.0 63.6 -6.4 32.8 379 1075 B V E - N 0 360B 6 -36,-2.0 -36,-0.3 -2,-0.4 2,-0.3 -0.507 28.0-129.8 -77.2 148.2 63.5 -9.2 30.3 380 1076 B N 0 0 57 -21,-2.2 -21,-0.3 -2,-0.2 -1,-0.0 -0.741 360.0 360.0-102.4 151.4 62.9 -8.1 26.7 381 1077 B T 0 0 161 -2,-0.3 -23,-0.0 -23,-0.1 0, 0.0 -0.957 360.0 360.0-116.7 360.0 60.4 -9.5 24.1 382 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 383 36 C V 0 0 172 0, 0.0 3,-0.3 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -89.9 12.1 -21.1 44.5 384 37 C Y > + 0 0 92 1,-0.2 3,-0.6 2,-0.1 0, 0.0 0.767 360.0 52.6 -72.0 -28.9 15.2 -19.9 42.5 385 38 C R T 3 S+ 0 0 109 1,-0.2 -1,-0.2 3,-0.1 335,-0.0 0.697 93.3 69.3 -83.2 -21.6 14.1 -21.8 39.4 386 39 C A T 3 S+ 0 0 62 -3,-0.3 161,-0.9 2,-0.0 2,-0.4 0.328 92.8 78.7 -78.6 8.8 10.6 -20.4 39.2 387 40 C T E < S-o 547 0C 14 -3,-0.6 2,-0.7 159,-0.1 161,-0.2 -0.925 72.7-140.9-121.1 144.7 12.3 -17.0 38.3 388 41 C H E -o 548 0C 7 159,-2.0 161,-2.2 -2,-0.4 2,-0.8 -0.895 11.5-154.7-109.3 107.2 13.7 -15.8 34.9 389 42 C R E -o 549 0C 11 -2,-0.7 182,-2.7 180,-0.3 183,-1.2 -0.714 15.3-167.7 -85.4 105.9 16.9 -13.8 35.2 390 43 C L E -op 550 572C 0 159,-2.4 161,-2.5 -2,-0.8 2,-0.5 -0.809 7.4-157.5 -99.4 133.7 17.2 -11.6 32.1 391 44 C L E -op 551 573C 0 181,-2.0 183,-2.9 -2,-0.4 2,-0.7 -0.946 5.8-151.6-115.2 118.6 20.4 -9.7 31.2 392 45 C L E + p 0 574C 0 159,-2.3 161,-0.4 -2,-0.5 2,-0.3 -0.827 25.2 172.4 -88.3 112.8 20.2 -6.6 29.0 393 46 C L E + p 0 575C 0 181,-2.3 183,-2.9 -2,-0.7 2,-0.2 -0.761 15.3 107.7-118.2 166.7 23.4 -6.2 27.1 394 47 C G E - p 0 576C 0 -2,-0.3 183,-0.1 181,-0.2 3,-0.1 -0.656 62.7 -59.2 144.4 162.5 24.4 -3.9 24.3 395 48 C A S > S- 0 0 15 181,-0.6 3,-1.5 -2,-0.2 5,-0.3 -0.015 72.4 -67.3 -65.6 169.4 26.5 -0.8 23.4 396 49 C G T 3 S+ 0 0 11 159,-0.9 -1,-0.2 1,-0.2 191,-0.1 -0.415 118.7 5.1 -63.8 134.1 26.1 2.6 25.1 397 50 C E T 3 S+ 0 0 31 -2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.572 87.3 129.3 68.2 13.1 22.8 4.5 24.4 398 51 C S S < S- 0 0 4 -3,-1.5 179,-0.2 178,-0.1 181,-0.1 0.842 85.0 -96.3 -65.6 -35.0 21.4 1.5 22.5 399 52 C G S > S+ 0 0 11 -4,-0.3 4,-1.3 177,-0.1 3,-0.3 0.468 81.1 131.4 132.6 10.5 18.2 1.6 24.6 400 53 C K H > S+ 0 0 9 -5,-0.3 4,-1.4 1,-0.2 3,-0.4 0.878 75.5 50.5 -56.5 -48.8 18.6 -0.9 27.4 401 54 C S H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 106.0 58.6 -62.9 -32.1 17.6 1.4 30.3 402 55 C T H > S+ 0 0 23 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.870 99.8 56.0 -64.9 -38.3 14.5 2.3 28.3 403 56 C I H X S+ 0 0 2 -4,-1.3 4,-1.8 -3,-0.4 -1,-0.2 0.931 107.0 49.6 -61.7 -43.0 13.3 -1.3 28.1 404 57 C V H X S+ 0 0 6 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.870 108.6 53.8 -61.5 -40.8 13.4 -1.5 32.0 405 58 C K H >X S+ 0 0 47 -4,-1.7 4,-2.3 1,-0.2 3,-0.8 0.956 106.6 51.2 -56.5 -51.8 11.4 1.7 32.1 406 59 C Q H 3X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.831 105.0 57.7 -55.9 -34.3 8.8 0.1 29.8 407 60 C M H 3X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.841 107.4 46.7 -67.5 -32.2 8.7 -2.8 32.2 408 61 C R H + 0 0 144 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.583 360.0 76.2 -93.0 -18.0 9.1 10.5 42.1 417 88 C K T 4 S+ 0 0 65 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.724 85.9 67.9 -64.2 -19.5 8.2 12.1 38.8 418 89 C A T >> S+ 0 0 72 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.923 96.0 50.4 -66.1 -46.4 9.2 15.4 40.5 419 90 C T H >> S+ 0 0 83 -3,-0.4 3,-1.0 -4,-0.3 4,-0.7 0.907 102.9 59.9 -61.4 -41.1 12.9 14.5 40.8 420 91 C K H 3X S+ 0 0 89 -4,-1.1 4,-1.4 1,-0.2 -1,-0.3 0.553 86.2 76.6 -69.1 -7.2 13.3 13.5 37.1 421 92 C V H <> S+ 0 0 20 -3,-1.3 4,-2.6 -4,-0.3 3,-0.4 0.937 90.5 56.2 -68.6 -43.3 12.2 17.0 36.0 422 93 C Q H X S+ 0 0 6 -4,-2.0 4,-0.7 2,-0.2 3,-0.6 0.947 111.5 52.2 -67.2 -45.9 25.4 25.6 18.8 437 108 C A H >X S+ 0 0 35 -4,-2.2 4,-1.0 1,-0.2 3,-0.7 0.925 109.0 52.3 -53.4 -44.6 28.9 24.5 19.7 438 109 C A H 3X S+ 0 0 11 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.804 90.3 78.2 -62.8 -32.6 29.0 22.2 16.6 439 110 C M H << S+ 0 0 11 -4,-1.3 7,-2.6 -3,-0.6 -1,-0.2 0.854 102.4 34.8 -47.4 -47.1 27.9 25.0 14.2 440 111 C S H << S+ 0 0 83 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.860 115.3 55.6 -77.8 -38.8 31.4 26.5 14.0 441 112 C N H < S+ 0 0 134 -4,-1.0 -2,-0.2 4,-0.1 -1,-0.2 0.622 87.8 94.6 -74.5 -14.0 33.4 23.3 14.3 442 113 C L S < S- 0 0 15 -4,-1.7 4,-0.1 -3,-0.1 56,-0.0 -0.268 82.9-103.3 -70.8 163.4 31.7 21.6 11.4 443 114 C V S S+ 0 0 129 1,-0.4 -2,-0.1 2,-0.1 -3,-0.0 -0.938 117.5 26.0-136.9 110.6 33.3 21.7 7.9 444 115 C P S S- 0 0 88 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 0.564 110.6-131.5 -69.8 152.3 32.0 23.6 6.2 445 116 C P - 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0 0 52 -3,-0.8 3,-0.4 1,-0.1 -3,-0.1 -0.230 45.1-140.3 -53.7 128.9 27.9 26.2 34.9 467 138 C P S S+ 0 0 119 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.952 86.6 12.5 -54.7 -94.3 27.7 23.9 38.0 468 139 C D S S- 0 0 154 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.754 85.0-158.3 -91.1 96.7 24.2 24.3 39.5 469 140 C F - 0 0 23 -2,-1.1 -6,-0.0 -3,-0.4 0, 0.0 -0.607 12.2-148.5 -81.8 135.8 22.3 26.1 36.8 470 141 C D - 0 0 132 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.708 21.0-139.0 -71.8 -28.2 19.2 28.1 37.8 471 142 C F - 0 0 17 1,-0.1 5,-0.1 -46,-0.0 -2,-0.0 0.945 31.3-165.3 58.9 53.0 17.2 27.6 34.5 472 143 C P >> - 0 0 21 0, 0.0 3,-1.3 0, 0.0 4,-0.8 -0.211 34.4 -99.1 -65.1 159.1 16.0 31.2 34.7 473 144 C P H 3> S+ 0 0 101 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.791 121.4 60.0 -48.3 -35.2 13.1 32.4 32.5 474 145 C E H 3> S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.840 92.8 65.9 -62.6 -40.7 15.6 33.9 29.9 475 146 C F H <> S+ 0 0 2 -3,-1.3 4,-3.0 1,-0.2 -1,-0.2 0.917 102.6 46.4 -49.9 -47.9 17.3 30.6 29.3 476 147 C Y H X S+ 0 0 7 -4,-0.8 4,-2.5 -3,-0.3 -1,-0.2 0.843 111.9 50.5 -66.0 -36.7 14.1 29.2 27.7 477 148 C E H X S+ 0 0 120 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.922 115.4 42.4 -66.6 -44.3 13.5 32.2 25.6 478 149 C H H X S+ 0 0 46 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.928 115.4 49.7 -68.5 -46.6 17.1 32.2 24.3 479 150 C A H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.934 113.7 45.5 -57.0 -49.4 17.1 28.5 23.8 480 151 C K H X S+ 0 0 67 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.910 109.2 54.0 -63.4 -47.0 13.8 28.5 21.9 481 152 C A H X S+ 0 0 21 -4,-2.4 4,-1.3 1,-0.2 3,-0.4 0.904 109.0 50.6 -53.0 -45.0 14.7 31.4 19.7 482 153 C L H < S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.2 6,-0.3 0.897 107.2 52.8 -59.6 -42.5 17.8 29.5 18.7 483 154 C W H < S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.728 106.8 53.9 -68.7 -23.0 15.8 26.4 17.8 484 155 C E H < S+ 0 0 104 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.792 84.6 103.5 -78.3 -30.8 13.5 28.6 15.6 485 156 C D >X - 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