==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUL-97 1RHS . COMPND 2 MOLECULE: SULFUR-SUBSTITUTED RHODANESE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.ZANOTTI,F.GLIUBICH,M.COLAPIETRO,L.BARBA . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 2 1 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 1 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A V 0 0 180 0, 0.0 2,-0.1 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 64.1 58.1 25.6 63.9 2 2 A H + 0 0 72 3,-0.0 3,-0.1 119,-0.0 4,-0.0 -0.297 360.0 169.2-176.2 128.6 54.9 24.7 65.3 3 3 A Q S S+ 0 0 163 1,-0.1 2,-0.4 -2,-0.1 0, 0.0 0.973 74.1 52.4 -99.6 -59.4 54.2 22.1 67.9 4 4 A V S S- 0 0 117 1,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.626 91.5-133.2 -75.9 126.9 50.6 22.7 68.9 5 5 A L - 0 0 51 -2,-0.4 2,-0.1 256,-0.1 3,-0.1 -0.690 7.0-130.7 -87.7 132.8 48.7 22.5 65.6 6 6 A Y - 0 0 42 -2,-0.5 117,-0.0 1,-0.1 -1,-0.0 -0.467 46.3 -80.8 -77.9 143.9 46.0 25.1 64.7 7 7 A R - 0 0 111 1,-0.2 116,-0.2 -2,-0.1 -1,-0.1 -0.130 39.0-171.3 -46.5 130.4 42.8 23.7 63.5 8 8 A A S S+ 0 0 3 116,-0.1 117,-3.1 1,-0.1 2,-0.4 0.668 70.0 52.2 -98.8 -16.1 42.9 22.7 59.8 9 9 A L E -a 125 0A 49 115,-0.2 2,-0.3 117,-0.1 117,-0.2 -0.949 57.4-177.0-124.7 137.7 39.2 22.0 59.5 10 10 A V E -a 126 0A 7 115,-1.9 117,-2.7 -2,-0.4 2,-0.1 -0.958 27.2-122.9-122.6 143.5 36.2 24.2 60.4 11 11 A S > - 0 0 54 -2,-0.3 4,-2.4 115,-0.2 5,-0.2 -0.427 18.2-118.1 -86.3 159.8 32.6 22.9 60.0 12 12 A T H > S+ 0 0 8 115,-0.4 4,-2.8 2,-0.2 5,-0.2 0.913 116.8 56.2 -57.5 -41.4 29.8 24.6 57.9 13 13 A K H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 108.7 46.6 -55.6 -50.2 27.9 25.1 61.1 14 14 A W H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.897 113.5 47.3 -58.5 -48.5 30.8 27.0 62.7 15 15 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.936 112.2 50.3 -63.6 -42.9 31.4 29.2 59.6 16 16 A A H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.935 111.1 48.2 -59.7 -41.1 27.6 30.0 59.3 17 17 A E H X S+ 0 0 88 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.894 111.4 51.3 -66.1 -38.4 27.4 30.9 63.0 18 18 A S H <>S+ 0 0 8 -4,-2.5 5,-2.5 2,-0.2 6,-0.4 0.910 110.7 47.6 -64.6 -44.5 30.5 33.1 62.6 19 19 A V H ><5S+ 0 0 29 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.954 112.1 50.1 -64.7 -37.0 29.0 34.9 59.5 20 20 A R H 3<5S+ 0 0 176 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.841 107.7 55.3 -60.9 -40.4 25.7 35.4 61.4 21 21 A A T 3<5S- 0 0 66 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.408 117.8-112.5 -68.6 -10.5 27.7 36.8 64.3 22 22 A G T < 5S+ 0 0 60 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.734 71.7 139.5 84.7 15.9 29.4 39.4 62.1 23 23 A K < + 0 0 131 -5,-2.5 5,-0.3 -6,-0.2 4,-0.3 0.721 31.1 103.9 -73.4 -19.8 32.8 37.9 62.4 24 24 A V + 0 0 36 -6,-0.4 5,-0.2 -5,-0.2 31,-0.0 -0.493 57.7 84.5 -63.1 133.6 34.0 38.3 58.8 25 25 A G B > S-B 28 0A 12 3,-2.3 3,-1.6 -2,-0.1 -2,-0.1 -0.940 101.6 -30.2 162.0-162.5 36.4 41.1 58.9 26 26 A P T 3 S+ 0 0 70 0, 0.0 64,-0.4 0, 0.0 3,-0.2 0.747 137.0 50.4 -52.2 -32.6 40.1 41.6 59.7 27 27 A G T 3 S+ 0 0 49 -4,-0.3 67,-2.4 1,-0.3 2,-0.4 0.675 120.5 29.6 -82.9 -16.9 40.0 38.7 62.1 28 28 A L E < +Bc 25 94A 9 -3,-1.6 -3,-2.3 -5,-0.3 2,-0.4 -0.920 63.3 176.0-147.5 113.6 38.2 36.2 59.7 29 29 A R E - c 0 95A 23 65,-2.4 67,-2.4 -2,-0.4 2,-0.4 -0.966 14.6-153.0-124.1 143.1 38.5 36.2 55.9 30 30 A V E - c 0 96A 2 -2,-0.4 26,-2.6 24,-0.4 2,-0.4 -0.945 10.5-165.1-119.4 131.1 36.9 33.5 53.7 31 31 A L E -dc 56 97A 1 65,-2.7 67,-2.8 -2,-0.4 2,-0.7 -0.962 20.1-153.0-124.0 134.5 38.1 32.5 50.3 32 32 A D E +dc 57 98A 4 24,-2.6 26,-2.9 -2,-0.4 67,-0.2 -0.932 20.3 177.6 -93.9 113.7 36.7 30.5 47.4 33 33 A A + 0 0 0 65,-3.0 66,-0.2 -2,-0.7 27,-0.1 0.080 21.0 151.2-104.0 21.9 39.9 29.0 45.8 34 34 A S + 0 0 5 64,-0.2 2,-0.3 9,-0.1 26,-0.2 -0.243 16.1 172.9 -58.4 143.6 38.1 27.1 43.1 35 35 A W - 0 0 58 24,-0.1 2,-0.3 8,-0.1 72,-0.1 -0.971 9.3-165.2-146.5 137.0 39.9 26.4 39.8 36 36 A Y - 0 0 40 -2,-0.3 3,-0.1 5,-0.2 7,-0.1 -0.948 27.2-101.5-125.9 151.0 38.7 24.2 36.9 37 37 A S > - 0 0 58 -2,-0.3 3,-1.0 1,-0.1 4,-0.1 -0.254 58.7 -77.9 -65.0 153.7 40.4 22.7 33.8 38 38 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.171 116.0 25.4 -51.7 143.2 39.7 24.4 30.5 39 39 A G T 3 S+ 0 0 90 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.703 110.5 75.6 82.3 10.0 36.4 23.7 29.0 40 40 A T S < S- 0 0 88 -3,-1.0 -1,-0.2 1,-0.4 -4,-0.1 -0.012 89.5 -4.3-120.0-120.2 34.6 22.8 32.2 41 41 A R - 0 0 73 -3,-0.1 2,-0.7 -4,-0.1 -1,-0.4 -0.311 58.7-125.6 -82.0 162.3 33.2 25.0 35.0 42 42 A E > - 0 0 123 1,-0.2 4,-2.6 -3,-0.1 5,-0.2 -0.877 23.7-171.6-112.2 92.4 33.7 28.7 35.3 43 43 A A H > S+ 0 0 14 -2,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.924 81.7 43.1 -55.2 -52.4 35.2 29.4 38.7 44 44 A R H > S+ 0 0 158 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 114.4 50.6 -63.1 -45.2 35.0 33.1 38.9 45 45 A K H > S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.941 109.9 50.8 -62.5 -39.8 31.4 33.2 37.5 46 46 A E H X S+ 0 0 58 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 111.0 48.5 -59.8 -44.9 30.3 30.6 40.1 47 47 A Y H < S+ 0 0 20 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.921 109.4 53.2 -59.4 -41.0 31.8 32.7 42.8 48 48 A L H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.894 115.1 41.5 -62.9 -37.2 30.1 35.8 41.4 49 49 A E H < S+ 0 0 113 -4,-2.1 2,-0.4 1,-0.3 -1,-0.2 0.873 129.8 14.7 -78.6 -41.3 26.7 34.1 41.5 50 50 A R S < S+ 0 0 114 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.3 -0.937 70.9 143.6-146.0 111.2 27.1 32.3 44.8 51 51 A H B -F 141 0B 3 90,-1.6 90,-1.9 -2,-0.4 92,-0.1 -0.990 55.6 -90.2-138.6 158.2 29.5 32.8 47.7 52 52 A V > - 0 0 0 -2,-0.3 3,-2.6 88,-0.2 88,-0.2 -0.457 67.5 -87.3 -59.2 133.8 29.5 32.7 51.5 53 53 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.320 114.0 11.3 -54.8 127.7 28.7 36.3 52.6 54 54 A G T 3 S+ 0 0 29 1,-0.3 -24,-0.4 89,-0.2 2,-0.1 0.307 96.4 135.7 87.0 -0.4 31.8 38.4 52.8 55 55 A A < - 0 0 0 -3,-2.6 -1,-0.3 -26,-0.1 2,-0.3 -0.428 41.1-145.8 -78.9 154.2 34.0 35.8 51.0 56 56 A S E -d 31 0A 11 -26,-2.6 -24,-2.6 -2,-0.1 2,-0.5 -0.811 19.4-109.8-109.1 160.1 36.5 36.7 48.3 57 57 A F E -d 32 0A 31 -2,-0.3 2,-0.8 -26,-0.2 -24,-0.2 -0.749 23.7-152.8 -89.1 119.2 37.7 34.9 45.2 58 58 A F - 0 0 0 -26,-2.9 2,-1.1 -2,-0.5 3,-0.1 -0.883 13.3-151.9 -95.4 110.2 41.4 33.6 45.5 59 59 A D >> - 0 0 49 -2,-0.8 4,-2.6 1,-0.2 3,-1.2 -0.720 15.9-175.2 -90.5 100.1 42.6 33.5 42.0 60 60 A I T 34 S+ 0 0 4 -2,-1.1 -1,-0.2 1,-0.3 -25,-0.1 0.725 82.2 64.9 -67.1 -18.7 45.2 30.8 41.7 61 61 A E T 34 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.1 3,-0.2 0.814 113.8 33.9 -73.2 -25.7 45.9 31.7 38.1 62 62 A E T <4 S+ 0 0 93 -3,-1.2 2,-2.2 1,-0.2 -2,-0.2 0.877 107.6 66.7 -90.5 -43.9 47.2 35.1 39.4 63 63 A C S < S+ 0 0 4 -4,-2.6 2,-0.3 2,-0.1 -1,-0.2 -0.451 92.3 73.0 -83.0 64.5 48.7 34.1 42.7 64 64 A R S S- 0 0 47 -2,-2.2 2,-1.2 -3,-0.2 10,-0.2 -0.962 98.3 -74.4-158.5 171.0 51.6 32.1 41.3 65 65 A D > - 0 0 67 8,-2.2 3,-1.1 -2,-0.3 8,-0.3 -0.715 43.1-175.0 -81.0 98.3 54.9 32.5 39.5 66 66 A K T 3 S+ 0 0 105 -2,-1.2 -1,-0.2 1,-0.3 -3,-0.0 0.641 78.1 61.2 -62.5 -24.4 53.7 33.4 36.0 67 67 A A T 3 S+ 0 0 92 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.619 82.0 100.9 -85.6 -14.8 57.2 33.4 34.6 68 68 A S S < S- 0 0 21 -3,-1.1 4,-0.1 1,-0.1 5,-0.1 -0.447 70.4-141.6 -67.3 147.0 57.8 29.7 35.4 69 69 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.620 81.5 81.1 -75.4 -16.0 57.5 27.2 32.6 70 70 A Y S S- 0 0 49 -5,-0.1 3,-0.5 1,-0.1 2,-0.3 -0.391 87.5 -89.8 -96.1 162.5 55.8 24.9 35.1 71 71 A E S S- 0 0 33 202,-0.3 206,-0.1 1,-0.2 -1,-0.1 -0.636 88.3 -16.0 -81.9 140.0 52.3 24.6 36.6 72 72 A V S S+ 0 0 16 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.893 79.8 175.8 40.9 57.3 50.9 26.3 39.6 73 73 A M - 0 0 30 -3,-0.5 -8,-2.2 -8,-0.3 -1,-0.2 -0.713 38.0 -93.2 -92.2 146.4 54.2 27.3 41.1 74 74 A L - 0 0 21 -2,-0.3 -10,-0.2 -10,-0.2 -1,-0.1 -0.217 38.9-130.4 -49.9 139.7 54.5 29.4 44.3 75 75 A P - 0 0 14 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.210 39.7 -78.7 -74.8 178.7 54.7 33.2 43.7 76 76 A S > - 0 0 78 -12,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.340 45.2-103.2 -70.8 167.4 57.5 35.2 45.5 77 77 A E H > S+ 0 0 89 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 124.9 49.2 -53.0 -50.6 56.9 36.1 49.2 78 78 A A H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.917 108.7 51.5 -59.5 -42.8 56.1 39.7 48.0 79 79 A G H > S+ 0 0 30 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 113.8 44.0 -63.1 -42.9 53.6 38.5 45.4 80 80 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.962 115.7 48.0 -61.9 -46.3 51.8 36.4 47.9 81 81 A A H X S+ 0 0 11 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.932 111.7 48.5 -62.5 -42.5 51.8 39.1 50.5 82 82 A D H X S+ 0 0 121 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.912 114.3 47.6 -65.1 -41.0 50.6 41.8 48.2 83 83 A Y H X S+ 0 0 48 -4,-1.8 4,-0.7 -5,-0.3 -2,-0.2 0.965 114.3 43.1 -68.1 -50.0 47.8 39.5 46.9 84 84 A V H ><>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 3,-1.1 0.887 110.6 57.0 -65.2 -33.7 46.5 38.3 50.3 85 85 A G H ><5S+ 0 0 4 -4,-2.4 65,-2.3 -5,-0.3 3,-1.8 0.906 101.3 57.4 -61.4 -35.6 46.8 41.8 51.7 86 86 A S H 3<5S+ 0 0 64 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.729 102.8 54.5 -69.7 -19.3 44.5 43.0 48.9 87 87 A L T <<5S- 0 0 19 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.192 126.2-100.6 -95.7 10.4 41.9 40.5 50.2 88 88 A G T < 5S+ 0 0 0 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.720 75.9 143.0 79.3 25.2 42.0 42.0 53.7 89 89 A I < + 0 0 0 -5,-2.0 -1,-0.3 61,-0.2 2,-0.2 -0.882 20.2 171.3-106.4 123.7 44.3 39.3 55.2 90 90 A S > - 0 0 26 -2,-0.5 3,-1.4 -64,-0.4 62,-0.2 -0.553 53.9 -90.1-114.3 177.9 47.0 40.2 57.8 91 91 A N T 3 S+ 0 0 57 60,-0.6 31,-0.2 1,-0.3 30,-0.1 0.599 127.0 55.1 -68.4 -9.9 49.2 38.0 59.9 92 92 A D T 3 S+ 0 0 144 -66,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.358 86.3 109.2 -98.9 -3.4 46.4 38.1 62.6 93 93 A T < - 0 0 0 -3,-1.4 2,-0.6 -65,-0.1 -65,-0.2 -0.632 65.5-137.6 -81.7 135.6 43.6 36.9 60.3 94 94 A H E -c 28 0A 14 -67,-2.4 -65,-2.4 -2,-0.3 2,-0.5 -0.828 27.2-155.1 -85.1 111.3 42.0 33.4 60.5 95 95 A V E -ce 29 123A 0 27,-2.5 29,-2.5 -2,-0.6 2,-0.5 -0.891 9.9-167.8 -95.3 131.7 41.7 32.4 56.8 96 96 A V E -ce 30 124A 0 -67,-2.4 -65,-2.7 -2,-0.5 2,-0.4 -0.991 8.4-165.4-118.1 117.0 39.0 29.9 55.9 97 97 A V E +ce 31 125A 0 27,-2.4 29,-2.5 -2,-0.5 2,-0.3 -0.910 13.0 165.4-111.3 137.8 39.3 28.4 52.4 98 98 A Y E -c 32 0A 1 -67,-2.8 -65,-3.0 -2,-0.4 2,-0.3 -0.883 12.9-162.3-132.6 171.9 36.6 26.4 50.4 99 99 A D - 0 0 3 -2,-0.3 31,-2.6 5,-0.2 32,-0.5 -0.888 28.6-117.1-148.0 166.8 36.1 25.3 46.8 100 100 A G + 0 0 7 -2,-0.3 5,-0.1 30,-0.2 -68,-0.0 0.127 52.9 152.0 -92.8 18.3 33.2 24.1 44.7 101 101 A D - 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0 0 51 28,-0.1 4,-2.3 1,-0.1 3,-0.3 -0.190 45.7-107.8 -59.1 153.1 44.5 9.0 40.4 184 184 A Q H > S+ 0 0 117 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.880 113.2 54.6 -52.4 -47.0 45.7 5.5 40.0 185 185 A G H >>S+ 0 0 16 1,-0.2 5,-2.0 2,-0.2 4,-1.8 0.926 111.9 43.2 -60.7 -40.8 45.6 5.2 36.2 186 186 A R H 45S+ 0 0 59 -3,-0.3 16,-2.2 4,-0.2 -1,-0.2 0.909 113.2 53.4 -72.1 -37.7 47.8 8.3 35.7 187 187 A Y H <5S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.953 114.5 41.4 -62.5 -43.1 50.2 7.2 38.4 188 188 A L H <5S- 0 0 42 -4,-2.9 102,-3.6 -5,-0.2 -1,-0.2 0.802 114.6-116.2 -78.1 -20.8 50.6 3.8 36.8 189 189 A G T <5S+ 0 0 13 -4,-1.8 -3,-0.2 -5,-0.3 12,-0.2 0.530 85.5 112.2 98.7 8.9 50.8 5.2 33.2 190 190 A T S -K 287 0D 1 -2,-0.3 3,-1.9 83,-0.2 83,-0.3 -0.499 59.2 -96.2 -69.6 130.0 58.8 8.9 39.9 205 205 A R T 3 S+ 0 0 112 81,-2.8 -1,-0.1 1,-0.2 82,-0.0 -0.244 108.8 23.3 -51.3 138.4 60.7 5.7 40.8 206 206 A G T 3 S+ 0 0 69 1,-0.3 -28,-0.4 -3,-0.1 -1,-0.2 0.296 91.7 135.5 85.6 -2.6 60.2 4.7 44.4 207 207 A S < - 0 0 14 -3,-1.9 2,-0.3 -30,-0.1 -1,-0.3 -0.228 44.9-145.0 -69.7 164.6 56.9 6.5 44.9 208 208 A V E -i 179 0C 42 -30,-1.8 -28,-3.1 2,-0.0 2,-0.5 -0.905 19.4-130.8-122.9 150.7 53.8 5.3 46.6 209 209 A N E +i 180 0C 11 -2,-0.3 -28,-0.2 -30,-0.2 -30,-0.1 -0.919 28.8 169.4-110.1 127.8 50.3 6.3 45.3 210 210 A M - 0 0 3 -30,-2.4 5,-0.1 -2,-0.5 -27,-0.1 -0.773 30.8-141.6-131.7 79.8 47.6 7.7 47.6 211 211 A P > - 0 0 19 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.180 15.3-129.2 -44.2 128.7 44.8 9.0 45.2 212 212 A F G > S+ 0 0 23 -31,-2.7 3,-1.9 1,-0.3 4,-0.2 0.802 100.1 64.3 -57.1 -34.9 43.5 12.2 46.8 213 213 A M G > S+ 0 0 98 1,-0.3 3,-1.4 -32,-0.2 -1,-0.3 0.744 87.0 73.0 -68.2 -12.4 39.8 11.4 46.6 214 214 A N G < S+ 0 0 76 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.720 85.2 68.1 -69.3 -18.0 40.4 8.5 49.0 215 215 A F G < S+ 0 0 1 -3,-1.9 8,-2.3 -4,-0.3 2,-0.3 0.575 95.1 64.7 -72.1 -23.4 40.8 11.0 51.8 216 216 A L B < S-L 222 0E 10 -3,-1.4 6,-0.2 6,-0.2 2,-0.1 -0.798 82.2-118.8-104.1 158.0 37.2 12.1 51.7 217 217 A T > - 0 0 42 4,-2.6 3,-1.8 -2,-0.3 -1,-0.1 -0.333 43.0 -96.0 -77.9 170.0 33.9 10.3 52.5 218 218 A E T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.783 128.1 56.0 -62.0 -23.9 31.3 9.9 49.7 219 219 A D T 3 S- 0 0 62 2,-0.1 -1,-0.3 -115,-0.0 -87,-0.0 0.513 122.1-106.6 -84.5 -8.9 29.6 13.1 51.2 220 220 A G S < S+ 0 0 1 -3,-1.8 -92,-0.7 1,-0.3 2,-0.3 0.554 76.0 131.4 95.1 11.5 32.8 15.1 50.8 221 221 A F - 0 0 60 -94,-0.2 -4,-2.6 -93,-0.1 -1,-0.3 -0.648 66.4 -96.7 -91.1 152.7 33.8 15.3 54.4 222 222 A E B -L 216 0E 22 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.372 44.0-110.5 -63.8 142.3 37.4 14.5 55.6 223 223 A K - 0 0 59 -8,-2.3 -1,-0.1 1,-0.1 -8,-0.0 -0.257 44.5 -88.2 -63.0 160.3 37.7 11.0 56.9 224 224 A S > - 0 0 45 1,-0.1 4,-2.9 -3,-0.1 5,-0.3 -0.280 35.8-108.6 -70.2 162.3 38.3 10.7 60.6 225 225 A P H > S+ 0 0 67 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.913 121.6 52.5 -59.4 -33.5 41.9 10.8 62.0 226 226 A E H > S+ 0 0 147 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.941 111.3 46.7 -66.0 -41.9 41.7 7.0 62.8 227 227 A E H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 112.2 49.6 -59.6 -48.8 40.6 6.4 59.2 228 228 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.912 110.5 50.3 -59.7 -47.2 43.3 8.6 57.8 229 229 A R H X S+ 0 0 110 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.937 108.6 52.0 -58.0 -42.9 46.0 6.9 59.9 230 230 A A H X S+ 0 0 57 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.901 107.2 54.8 -62.7 -35.7 44.8 3.4 58.8 231 231 A M H X S+ 0 0 32 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.914 108.7 45.9 -63.8 -45.0 45.0 4.6 55.1 232 232 A F H ><>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 3,-0.8 0.945 113.2 50.6 -63.0 -43.6 48.7 5.6 55.5 233 233 A E H ><5S+ 0 0 151 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.928 107.4 52.2 -61.3 -39.9 49.5 2.4 57.3 234 234 A A H 3<5S+ 0 0 88 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.648 109.8 51.8 -70.6 -15.0 47.9 0.2 54.6 235 235 A K T <<5S- 0 0 73 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.286 117.0-113.4 -95.8 1.3 50.0 2.1 52.0 236 236 A K T < 5 + 0 0 186 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.816 69.0 144.7 63.2 34.2 53.3 1.5 53.9 237 237 A V < - 0 0 7 -5,-2.7 2,-0.7 -6,-0.2 -1,-0.2 -0.928 39.6-152.7-106.1 112.4 53.6 5.2 54.7 238 238 A D > - 0 0 49 -2,-0.6 3,-1.8 4,-0.1 -61,-0.1 -0.831 3.5-158.1 -89.6 109.0 55.2 5.6 58.2 239 239 A L T 3 S+ 0 0 34 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.572 89.3 64.8 -63.9 -14.4 54.0 8.9 59.6 240 240 A T T 3 S+ 0 0 124 2,-0.1 -1,-0.3 25,-0.0 -2,-0.0 0.504 98.5 68.8 -87.8 -2.6 57.0 8.9 62.0 241 241 A K S < S- 0 0 100 -3,-1.8 -65,-0.1 1,-0.1 -66,-0.0 -0.738 99.6 -77.7-115.0 162.4 59.3 9.2 59.0 242 242 A P - 0 0 59 0, 0.0 -65,-2.5 0, 0.0 2,-0.4 -0.169 48.3-171.3 -61.5 146.3 60.0 12.0 56.5 243 243 A L E -h 177 0C 2 24,-0.3 26,-1.5 -67,-0.2 2,-0.4 -0.984 15.7-166.9-147.4 125.7 57.4 12.4 53.7 244 244 A I E -hj 178 269C 0 -67,-3.2 -65,-2.8 -2,-0.4 2,-0.4 -0.974 17.3-147.9-112.1 131.4 57.3 14.5 50.5 245 245 A A E +hj 179 270C 0 24,-3.0 26,-3.0 -2,-0.4 2,-0.3 -0.846 21.9 172.1-102.3 140.5 53.9 14.8 48.7 246 246 A T E +h 180 0C 0 -67,-2.8 -65,-2.3 -2,-0.4 -64,-0.2 -0.910 9.8 150.6-142.7 156.7 53.7 15.1 44.9 247 247 A C - 0 0 7 24,-0.4 28,-2.8 -2,-0.3 29,-0.2 -0.653 65.0 -54.4-153.3-134.0 51.1 15.1 42.2 248 248 A R S S- 0 0 7 26,-0.2 28,-2.5 -2,-0.2 29,-0.3 0.906 126.6 -6.3 -84.2 -46.6 50.7 16.7 38.7 249 249 A K S S- 0 0 21 26,-0.2 25,-0.1 25,-0.1 -1,-0.1 0.152 104.6 -88.0-143.7 21.0 51.3 20.3 39.7 250 250 A G S S+ 0 0 0 21,-0.1 4,-0.1 -177,-0.0 23,-0.1 0.621 101.0 100.0 81.2 12.6 51.5 20.6 43.5 251 251 A V S > S+ 0 0 0 2,-0.1 3,-1.7 21,-0.1 4,-0.3 0.911 82.7 33.4 -94.7 -68.3 47.8 21.0 44.2 252 252 A T T >> S+ 0 0 4 1,-0.3 3,-2.1 2,-0.2 4,-0.6 0.761 104.3 75.2 -67.1 -17.3 46.3 17.6 45.3 253 253 A A H >> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 3,-0.9 0.806 84.3 68.3 -58.0 -29.8 49.5 16.7 47.0 254 254 A C H <> S+ 0 0 0 -3,-1.7 4,-2.2 1,-0.3 -1,-0.3 0.755 87.4 64.5 -66.3 -16.0 48.3 19.2 49.6 255 255 A H H <> S+ 0 0 2 -3,-2.1 4,-2.2 -4,-0.3 -1,-0.3 0.849 101.5 50.3 -75.4 -28.5 45.5 16.8 50.5 256 256 A I H <>S+ 0 0 0 -4,-3.0 5,-2.5 2,-0.2 3,-0.6 0.876 109.8 54.2 -65.3 -38.6 49.0 13.8 57.7 261 261 A Y H ><5S+ 0 0 11 -4,-2.2 3,-2.3 -5,-0.3 -1,-0.2 0.916 105.7 52.2 -61.9 -43.2 48.6 17.1 59.6 262 262 A L H 3<5S+ 0 0 44 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.697 107.0 55.2 -72.4 -12.0 45.2 15.9 61.1 263 263 A C T <<5S- 0 0 30 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.258 131.4 -96.2 -96.2 16.0 47.1 12.7 62.2 264 264 A G T < 5S+ 0 0 53 -3,-2.3 -3,-0.2 1,-0.1 -2,-0.1 0.574 92.3 115.2 86.7 15.6 49.7 15.0 64.1 265 265 A K < + 0 0 12 -5,-2.5 3,-0.5 -8,-0.1 -2,-0.2 -0.880 27.0 165.6-120.8 90.7 52.4 15.2 61.3 266 266 A P + 0 0 24 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.522 57.0 87.0 -80.8 -7.7 52.7 18.8 60.2 267 267 A D + 0 0 83 -7,-0.1 2,-0.4 2,-0.0 -24,-0.3 0.173 49.2 126.3 -84.0 15.8 56.0 18.2 58.5 268 268 A V - 0 0 2 -3,-0.5 2,-0.3 -11,-0.2 -24,-0.2 -0.596 46.1-150.2 -79.6 132.6 55.1 17.0 55.0 269 269 A A E - j 0 244C 2 -26,-1.5 -24,-3.0 -2,-0.4 2,-0.5 -0.685 7.7-131.4 -95.5 146.8 56.7 19.0 52.2 270 270 A I E -gj 161 245C 0 -110,-2.3 -108,-2.6 -2,-0.3 2,-1.4 -0.893 5.8-141.0-105.8 128.2 55.2 19.6 48.9 271 271 A Y E -g 162 0C 0 -26,-3.0 -24,-0.4 -2,-0.5 3,-0.2 -0.728 24.0-170.5 -77.6 95.4 57.1 19.0 45.7 272 272 A D S S+ 0 0 6 -2,-1.4 -1,-0.2 -110,-0.9 -109,-0.1 0.903 80.7 53.1 -63.2 -38.3 55.5 22.1 44.0 273 273 A G S > S+ 0 0 1 -111,-0.5 4,-1.7 -3,-0.1 -202,-0.3 0.905 87.6 164.8 -62.6 -40.4 57.0 21.3 40.6 274 274 A S H > - 0 0 0 -3,-0.2 4,-2.8 1,-0.2 3,-0.2 0.019 58.0 -29.0 58.3-162.5 55.5 17.8 40.7 275 275 A W H > S+ 0 0 0 -28,-2.8 4,-2.9 1,-0.2 5,-0.4 0.880 133.7 59.9 -57.8 -40.8 55.1 15.5 37.8 276 276 A F H > S+ 0 0 27 -28,-2.5 4,-1.0 -3,-0.3 -1,-0.2 0.946 114.0 36.6 -57.9 -44.8 54.7 18.3 35.2 277 277 A E H X S+ 0 0 13 -4,-1.7 4,-1.9 -29,-0.3 5,-0.3 0.935 115.0 56.1 -70.4 -48.6 58.2 19.6 36.1 278 278 A W H >X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 3,-0.5 0.952 105.4 50.3 -47.7 -51.0 59.7 16.2 36.7 279 279 A F H 3< S+ 0 0 42 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.892 114.2 45.8 -59.3 -36.8 58.8 14.9 33.3 280 280 A H H 3< S+ 0 0 89 -4,-1.0 -1,-0.3 -5,-0.4 -2,-0.2 0.775 125.1 27.6 -80.8 -23.5 60.3 17.9 31.6 281 281 A R H << S+ 0 0 95 -4,-1.9 -2,-0.2 -3,-0.5 -3,-0.2 0.799 101.5 80.3-108.0 -35.4 63.5 18.1 33.6 282 282 A A S < S- 0 0 9 -4,-3.2 5,-0.1 -5,-0.3 -118,-0.0 -0.334 84.3-101.0 -80.5 152.6 64.5 14.6 34.8 283 283 A P > - 0 0 60 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.477 34.4-120.6 -62.7 144.7 66.2 11.8 32.8 284 284 A P G > S+ 0 0 82 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 0.778 108.9 75.8 -61.1 -20.9 63.5 9.3 31.7 285 285 A E G 3 S+ 0 0 142 1,-0.3 -3,-0.0 3,-0.0 -80,-0.0 0.641 85.8 63.4 -61.6 -18.4 65.5 6.7 33.6 286 286 A T G < S+ 0 0 9 -3,-2.5 -81,-2.8 -82,-0.0 2,-0.3 0.509 101.1 54.0 -89.9 1.3 64.1 8.2 36.8 287 287 A W E < -K 204 0D 30 -3,-1.9 2,-0.3 -83,-0.3 -83,-0.2 -0.903 62.5-155.0-135.4 160.5 60.4 7.3 36.1 288 288 A V E -K 203 0D 65 -85,-2.6 -85,-2.2 -2,-0.3 2,-0.3 -0.908 8.9-179.8-130.8 156.2 58.3 4.3 35.2 289 289 A S B > -M 292 0F 18 3,-1.1 3,-0.9 -2,-0.3 -100,-0.3 -0.964 35.4-122.8-149.1 143.5 55.0 3.8 33.4 290 290 A Q T 3 S+ 0 0 134 -102,-3.6 -101,-0.2 -2,-0.3 3,-0.1 0.385 115.0 39.8 -69.2 10.3 53.0 0.6 32.5 291 291 A G T 3 S- 0 0 62 -103,-0.2 -1,-0.2 1,-0.1 2,-0.1 0.304 105.7-166.0-160.0 37.8 53.1 1.4 28.8 292 292 A K B < M 289 0F 163 -3,-0.9 -3,-1.1 -91,-0.0 -1,-0.1 -0.883 360.0 360.0-155.3 -36.3 55.9 2.3 29.5 293 293 A G 0 0 78 -5,-0.1 -5,-0.1 -2,-0.1 -3,-0.0 -0.769 360.0 360.0 125.2 360.0 57.2 3.8 27.4