==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAR-12 3VPT . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE SIGMA; . SOURCE 2 ORGANISM_SCIENTIFIC: BOMBYX MORI; . AUTHOR K.YAMAMOTO,A.HIGASHIURA,M.SUZUKI,A.NAKAGAWA . 203 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 10 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 0 0 1 0 2 0 1 0 0 2 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 101 0, 0.0 2,-0.8 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 159.5 29.4 -42.4 19.6 2 2 A N - 0 0 110 26,-0.1 54,-2.4 2,-0.0 2,-0.4 -0.746 360.0-176.3 -79.6 116.6 25.8 -42.3 20.8 3 3 A V E +A 55 0A 4 -2,-0.8 26,-2.3 24,-0.3 2,-0.4 -0.950 13.1 178.6-119.4 132.4 24.5 -39.1 19.4 4 4 A K E -Ab 54 29A 45 50,-2.6 50,-3.6 -2,-0.4 2,-0.4 -0.993 6.7-167.9-133.3 135.0 21.1 -37.6 20.1 5 5 A F E -Ab 53 30A 0 24,-2.4 26,-2.2 -2,-0.4 2,-0.5 -0.993 5.8-161.3-124.8 131.8 20.0 -34.3 18.7 6 6 A Y E +Ab 52 31A 49 46,-3.0 46,-1.7 -2,-0.4 2,-0.3 -0.975 28.4 128.9-118.0 128.0 16.9 -32.6 20.0 7 7 A Y E - b 0 32A 16 24,-2.1 26,-3.1 -2,-0.5 -2,-0.0 -0.941 58.5 -74.7-155.1 176.8 15.0 -29.9 18.1 8 8 A F - 0 0 55 -2,-0.3 2,-1.4 24,-0.2 26,-0.2 -0.286 56.1 -97.3 -67.2 164.8 11.5 -29.0 16.8 9 9 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.196 100.1 79.6 -82.2 46.3 10.2 -30.8 13.8 10 10 A V S S- 0 0 39 -2,-1.4 4,-0.1 1,-0.2 192,-0.0 -0.840 80.6-124.7-136.3 177.3 11.2 -28.0 11.5 11 11 A K >> + 0 0 44 -2,-0.3 4,-2.6 3,-0.1 3,-2.4 0.931 67.8 117.8 -87.1 -59.9 14.5 -27.0 9.9 12 12 A A T 34 S- 0 0 5 191,-3.3 4,-0.3 1,-0.3 149,-0.2 0.088 96.7 -17.6 31.6-114.6 14.7 -23.3 11.1 13 13 A L T 34 S+ 0 0 41 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.343 137.3 55.6-102.5 4.5 17.9 -23.1 13.3 14 14 A G T X> S+ 0 0 0 -3,-2.4 4,-1.5 143,-0.2 3,-0.9 0.639 83.6 78.3-106.8 -23.2 18.5 -26.8 14.0 15 15 A E H 3X S+ 0 0 14 -4,-2.6 4,-2.9 1,-0.3 5,-0.2 0.854 85.0 64.8 -60.5 -31.8 18.7 -28.3 10.5 16 16 A S H 3> S+ 0 0 6 -5,-0.3 4,-2.5 -4,-0.3 -1,-0.3 0.920 102.7 49.9 -57.5 -38.9 22.3 -27.0 10.0 17 17 A Q H <> S+ 0 0 0 -3,-0.9 4,-2.9 2,-0.2 -1,-0.2 0.915 109.5 49.2 -67.2 -41.3 23.3 -29.4 12.8 18 18 A R H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.936 112.5 49.6 -60.2 -43.9 21.5 -32.4 11.2 19 19 A L H X S+ 0 0 9 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.887 110.5 48.5 -62.3 -44.5 23.3 -31.5 8.0 20 20 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.926 111.1 51.3 -63.3 -43.0 26.7 -31.3 9.6 21 21 A L H <>S+ 0 0 2 -4,-2.9 5,-2.6 1,-0.2 -2,-0.2 0.891 111.3 47.5 -59.2 -43.3 26.0 -34.7 11.4 22 22 A A H ><5S+ 0 0 13 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.878 111.3 53.0 -61.8 -41.5 25.1 -36.3 8.0 23 23 A Y H 3<5S+ 0 0 55 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.936 107.1 50.1 -57.5 -51.8 28.2 -34.7 6.6 24 24 A G T 3<5S- 0 0 30 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.405 115.3-111.8 -70.0 1.3 30.5 -36.1 9.3 25 25 A G T < 5 + 0 0 55 -3,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.759 66.0 153.6 68.4 25.1 29.1 -39.7 8.8 26 26 A Q < - 0 0 47 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.775 36.2-150.1 -90.3 114.8 27.5 -39.5 12.3 27 27 A E + 0 0 172 -2,-0.7 2,-0.3 -3,-0.1 -24,-0.3 -0.589 30.3 166.3 -70.8 145.0 24.5 -41.6 12.9 28 28 A F - 0 0 36 -2,-0.2 2,-0.8 -26,-0.1 -24,-0.2 -0.988 44.7-102.1-157.0 154.3 22.2 -40.0 15.4 29 29 A E E -b 4 0A 72 -26,-2.3 -24,-2.4 -2,-0.3 2,-1.5 -0.797 32.4-148.4 -78.9 114.1 18.7 -40.1 16.9 30 30 A D E -b 5 0A 47 -2,-0.8 2,-1.1 -26,-0.2 -24,-0.1 -0.682 16.8-167.8 -84.6 86.9 16.9 -37.2 15.2 31 31 A N E -b 6 0A 43 -26,-2.2 -24,-2.1 -2,-1.5 2,-0.8 -0.721 2.6-168.8 -84.8 100.7 14.6 -36.4 18.1 32 32 A R E -b 7 0A 57 -2,-1.1 2,-0.6 -26,-0.2 -24,-0.2 -0.831 7.0-161.5 -91.9 107.3 12.0 -34.1 16.7 33 33 A I - 0 0 13 -26,-3.1 -2,-0.0 -2,-0.8 5,-0.0 -0.797 9.3-139.0 -96.8 119.4 10.1 -32.7 19.6 34 34 A S >> - 0 0 27 -2,-0.6 4,-2.3 -26,-0.2 3,-0.7 -0.294 25.7-108.5 -72.5 159.4 6.8 -31.2 18.8 35 35 A S T 34 S+ 0 0 86 1,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.857 119.6 56.2 -50.7 -38.2 5.5 -28.0 20.4 36 36 A E T 34 S+ 0 0 154 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.805 115.2 35.0 -68.4 -33.5 3.0 -30.2 22.4 37 37 A N T X> S+ 0 0 82 -3,-0.7 3,-1.9 1,-0.1 4,-0.7 0.655 93.1 91.7 -94.2 -19.9 5.7 -32.4 24.0 38 38 A W H >X S+ 0 0 37 -4,-2.3 4,-2.7 1,-0.3 3,-1.2 0.829 73.6 67.8 -46.5 -40.6 8.4 -29.8 24.3 39 39 A P H 34 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.806 98.3 52.3 -56.9 -26.3 7.3 -28.8 27.9 40 40 A E H <4 S+ 0 0 129 -3,-1.9 -2,-0.2 1,-0.1 4,-0.1 0.777 115.9 39.9 -78.4 -21.6 8.5 -32.2 29.2 41 41 A F H X< S+ 0 0 62 -3,-1.2 3,-2.2 -4,-0.7 4,-0.3 0.777 95.9 81.7 -91.6 -32.4 12.0 -31.8 27.6 42 42 A K G >< S+ 0 0 103 -4,-2.7 3,-1.7 1,-0.3 6,-0.4 0.855 90.3 48.3 -46.4 -51.6 12.5 -28.1 28.3 43 43 A P G 3 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.690 105.7 60.8 -70.0 -12.6 13.7 -28.5 31.9 44 44 A K G < S+ 0 0 159 -3,-2.2 -2,-0.2 -4,-0.1 -3,-0.1 0.247 90.7 85.9 -91.6 7.6 16.2 -31.2 30.8 45 45 A T S < S- 0 0 20 -3,-1.7 3,-0.2 -4,-0.3 5,-0.1 -0.744 86.5-118.0-106.2 157.7 18.0 -28.8 28.5 46 46 A P S S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.843 108.9 18.4 -65.2 -36.7 20.9 -26.5 29.6 47 47 A F S S- 0 0 129 2,-0.4 3,-0.1 -5,-0.0 -5,-0.1 0.317 107.1-102.7-118.6 8.6 19.1 -23.3 28.7 48 48 A G S S+ 0 0 24 -6,-0.4 2,-0.3 1,-0.3 -6,-0.1 0.821 95.0 93.7 70.4 29.3 15.4 -24.2 28.4 49 49 A Q - 0 0 97 -7,-0.2 -2,-0.4 2,-0.1 -1,-0.3 -0.951 67.7 -97.1-143.7 159.4 15.8 -24.1 24.6 50 50 A M S S+ 0 0 18 -2,-0.3 2,-0.2 -3,-0.1 13,-0.2 -0.848 76.7 71.2-114.4 160.0 16.6 -26.4 21.7 51 51 A P + 0 0 6 0, 0.0 11,-1.0 0, 0.0 2,-0.4 0.475 57.0 167.8 -75.9 159.3 18.7 -27.4 19.8 52 52 A V E -AC 6 61A 2 -46,-1.7 -46,-3.0 9,-0.2 2,-0.5 -0.977 17.8-161.4-137.8 129.0 20.6 -29.6 22.1 53 53 A L E -AC 5 60A 0 7,-3.0 7,-2.6 -2,-0.4 2,-0.5 -0.957 8.7-163.3-106.9 130.5 23.1 -32.1 20.8 54 54 A E E -AC 4 59A 40 -50,-3.6 -50,-2.6 -2,-0.5 2,-0.4 -0.945 8.9-178.3-120.5 128.8 24.0 -34.9 23.2 55 55 A I E > S-AC 3 58A 32 3,-2.1 3,-2.0 -2,-0.5 -52,-0.2 -0.966 76.4 -20.6-130.4 115.7 27.1 -37.0 22.7 56 56 A D T 3 S- 0 0 116 -54,-2.4 -53,-0.1 -2,-0.4 3,-0.1 0.906 129.6 -52.5 48.8 42.6 27.9 -39.8 25.1 57 57 A G T 3 S+ 0 0 53 -55,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.423 110.1 122.7 79.9 -3.6 25.6 -38.0 27.6 58 58 A K E < -C 55 0A 143 -3,-2.0 -3,-2.1 2,-0.0 2,-0.4 -0.777 55.6-136.9 -91.6 138.6 27.3 -34.6 27.4 59 59 A Q E -C 54 0A 92 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.804 17.6-171.3-100.1 137.1 24.9 -31.8 26.3 60 60 A Y E -C 53 0A 55 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.2 -0.997 14.2-175.3-121.3 124.6 25.8 -29.1 23.8 61 61 A A E +C 52 0A 19 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.754 39.0 59.0-117.3 168.6 23.4 -26.3 23.4 62 62 A Q > - 0 0 80 -11,-1.0 4,-2.5 -2,-0.2 5,-0.2 0.805 69.0-122.0 80.6 112.9 23.0 -23.1 21.2 63 63 A S H > S+ 0 0 23 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.831 106.0 43.0 -56.7 -48.5 22.8 -23.6 17.5 64 64 A T H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.918 115.0 50.6 -69.0 -37.8 25.7 -21.5 16.2 65 65 A A H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 111.7 48.4 -62.3 -38.3 28.0 -22.8 19.0 66 66 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.933 111.5 50.1 -70.2 -44.5 27.1 -26.4 18.1 67 67 A C H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.912 109.5 49.6 -59.0 -45.4 27.7 -25.8 14.4 68 68 A R H X S+ 0 0 57 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.896 112.6 49.8 -62.1 -38.6 31.1 -24.2 14.9 69 69 A Y H X S+ 0 0 56 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.950 112.1 44.4 -65.8 -51.2 32.0 -27.2 17.1 70 70 A L H X S+ 0 0 4 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.890 114.0 53.5 -57.9 -35.9 30.9 -29.9 14.6 71 71 A G H <>S+ 0 0 0 -4,-2.3 5,-3.3 -5,-0.3 6,-0.5 0.938 108.4 47.8 -63.9 -47.4 32.7 -27.8 11.9 72 72 A R H ><5S+ 0 0 150 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.911 113.6 48.6 -58.3 -42.2 35.9 -27.8 13.9 73 73 A K H 3<5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.793 114.3 45.4 -71.7 -27.2 35.6 -31.6 14.4 74 74 A Y T 3<5S- 0 0 53 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.268 116.8-106.3-105.2 11.0 34.9 -32.2 10.7 75 75 A G T < 5S+ 0 0 65 -3,-0.9 3,-0.3 -4,-0.4 -3,-0.2 0.743 86.8 117.9 76.6 25.8 37.7 -30.0 9.3 76 76 A L < + 0 0 11 -5,-3.3 74,-2.1 -6,-0.2 75,-0.3 0.105 49.0 80.6-113.4 21.5 35.3 -27.3 8.1 77 77 A A S S- 0 0 14 -6,-0.5 3,-0.2 1,-0.4 -1,-0.2 0.023 100.5 -97.9-120.7 29.5 36.5 -24.3 10.2 78 78 A G - 0 0 32 -3,-0.3 -1,-0.4 1,-0.1 3,-0.1 -0.106 35.5 -88.6 79.9 178.8 39.5 -23.2 8.2 79 79 A A S S+ 0 0 88 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.405 99.4 16.1-114.2 2.3 43.2 -24.1 8.8 80 80 A N S > S- 0 0 79 -3,-0.2 4,-2.4 1,-0.0 3,-0.2 -0.947 90.0 -86.3-159.0 176.8 44.2 -21.2 11.2 81 81 A D H > S+ 0 0 131 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.800 122.0 54.2 -58.1 -36.1 42.7 -18.6 13.5 82 82 A E H > S+ 0 0 140 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.850 111.9 42.8 -72.1 -38.4 42.3 -16.0 10.6 83 83 A E H > S+ 0 0 61 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.912 113.9 50.7 -69.9 -48.6 40.4 -18.4 8.4 84 84 A A H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.888 108.3 55.7 -52.3 -42.6 38.2 -19.6 11.3 85 85 A F H X S+ 0 0 112 -4,-1.8 4,-3.3 -5,-0.2 -1,-0.2 0.886 102.4 55.0 -57.3 -44.2 37.6 -16.0 12.1 86 86 A E H X S+ 0 0 54 -4,-1.1 4,-2.8 1,-0.2 5,-0.3 0.929 107.7 48.5 -62.6 -40.8 36.3 -15.3 8.6 87 87 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.959 113.2 47.9 -61.3 -49.0 33.7 -18.0 8.9 88 88 A D H X S+ 0 0 47 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 112.3 50.1 -54.8 -50.8 32.6 -16.7 12.3 89 89 A Q H X S+ 0 0 93 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.941 112.8 44.1 -54.3 -52.0 32.4 -13.1 11.0 90 90 A N H X S+ 0 0 14 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.846 113.6 50.9 -68.9 -32.0 30.3 -14.0 7.9 91 91 A V H X S+ 0 0 5 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.878 106.4 55.3 -70.8 -33.3 28.0 -16.2 9.9 92 92 A E H X S+ 0 0 135 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.932 106.2 52.0 -66.2 -36.5 27.6 -13.4 12.4 93 93 A F H >X S+ 0 0 37 -4,-2.1 4,-1.6 1,-0.2 3,-0.5 0.929 106.3 52.6 -62.3 -45.0 26.4 -11.2 9.5 94 94 A L H 3X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.898 104.0 59.4 -55.8 -36.8 23.8 -13.9 8.5 95 95 A N H 3X S+ 0 0 61 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.849 99.8 54.8 -59.9 -39.2 22.6 -13.7 12.0 96 96 A D H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 3,-1.0 0.893 112.2 55.2 -63.0 -41.5 13.5 -10.8 9.5 102 102 A A H 3X S+ 0 0 13 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.861 97.0 63.2 -66.6 -31.4 12.5 -12.4 12.9 103 103 A S H 3< S+ 0 0 60 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.775 114.2 36.5 -61.2 -23.0 11.7 -8.9 14.3 104 104 A V H X< S+ 0 0 1 -3,-1.0 3,-1.7 -4,-0.6 -2,-0.2 0.870 114.8 52.0 -93.7 -49.6 9.0 -8.8 11.6 105 105 A H H 3< S+ 0 0 59 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.855 109.2 48.4 -58.9 -36.7 7.9 -12.4 11.6 106 106 A Y T 3< S+ 0 0 131 -4,-2.3 2,-0.7 -5,-0.2 -1,-0.3 0.122 79.2 116.4 -94.5 22.4 7.2 -12.8 15.3 107 107 A E < - 0 0 47 -3,-1.7 6,-0.1 1,-0.1 -4,-0.0 -0.846 48.5-165.6 -90.0 115.1 5.2 -9.6 15.6 108 108 A K + 0 0 196 -2,-0.7 2,-0.8 1,-0.1 -1,-0.1 0.716 66.6 82.7 -77.7 -19.7 1.7 -10.8 16.6 109 109 A D > - 0 0 85 1,-0.2 4,-2.4 2,-0.0 3,-0.5 -0.761 69.7-153.4 -91.3 110.9 -0.1 -7.5 15.8 110 110 A E H > S+ 0 0 143 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.878 90.6 48.9 -54.5 -46.4 -0.8 -7.4 12.1 111 111 A A H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.840 113.8 46.2 -65.7 -34.0 -0.8 -3.6 11.6 112 112 A V H > S+ 0 0 60 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.870 109.7 54.9 -75.3 -36.1 2.5 -3.2 13.5 113 113 A K H X S+ 0 0 37 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.908 106.5 52.7 -62.0 -41.6 4.0 -6.0 11.5 114 114 A A H X S+ 0 0 62 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.887 109.4 47.0 -61.4 -42.4 3.1 -4.3 8.3 115 115 A K H X S+ 0 0 123 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.917 113.2 48.9 -70.5 -40.2 4.7 -1.0 9.3 116 116 A K H X S+ 0 0 70 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.898 110.4 51.5 -60.2 -44.2 7.9 -2.8 10.4 117 117 A K H X S+ 0 0 61 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.945 110.9 47.3 -60.7 -47.0 8.0 -4.8 7.1 118 118 A A H X S+ 0 0 39 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.935 111.7 51.3 -60.9 -44.6 7.7 -1.6 5.1 119 119 A E H >X S+ 0 0 109 -4,-2.4 4,-1.4 1,-0.2 3,-1.3 0.959 112.4 45.4 -56.2 -51.9 10.4 0.1 7.2 120 120 A L H 3X>S+ 0 0 17 -4,-2.8 5,-2.7 1,-0.3 4,-2.1 0.825 105.6 60.7 -64.1 -32.3 12.9 -2.8 6.7 121 121 A E H 3<5S+ 0 0 62 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.753 115.9 33.8 -64.8 -24.5 12.1 -3.0 3.0 122 122 A E H <<5S+ 0 0 152 -3,-1.3 -2,-0.2 -4,-0.9 -1,-0.2 0.611 130.3 29.5-105.2 -14.8 13.4 0.6 2.6 123 123 A T H <5S+ 0 0 78 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.2 0.552 129.7 6.6-129.3 -16.8 16.1 0.7 5.3 124 124 A K T X5S+ 0 0 105 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.510 111.9 64.2-136.3 -47.2 17.9 -2.7 6.0 125 125 A Y H > S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.945 115.4 44.9 -61.1 -37.4 18.1 -3.8 0.3 127 127 A F H > S+ 0 0 140 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.935 113.3 49.1 -72.7 -43.7 21.4 -3.4 2.0 128 128 A F H X S+ 0 0 26 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.902 112.6 48.4 -56.3 -46.5 21.5 -6.9 3.6 129 129 A F H X S+ 0 0 16 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.925 112.1 46.5 -66.4 -42.8 20.6 -8.5 0.3 130 130 A E H X S+ 0 0 109 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.912 114.5 49.8 -61.7 -39.2 23.2 -6.6 -1.7 131 131 A K H X S+ 0 0 94 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.916 111.5 47.0 -68.1 -40.7 25.8 -7.4 1.0 132 132 A L H X S+ 0 0 7 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.935 111.1 52.5 -66.2 -41.6 25.0 -11.1 1.0 133 133 A N H X S+ 0 0 42 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.909 109.6 50.0 -59.7 -37.3 25.1 -11.1 -2.8 134 134 A E H X S+ 0 0 92 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.931 111.9 47.5 -62.9 -47.2 28.6 -9.6 -2.7 135 135 A I H X S+ 0 0 17 -4,-2.2 4,-1.8 2,-0.2 7,-0.2 0.929 112.7 47.1 -62.9 -48.9 29.8 -12.2 -0.1 136 136 A L H <>S+ 0 0 0 -4,-2.8 5,-3.4 2,-0.2 6,-0.6 0.927 116.3 46.2 -62.4 -38.4 28.4 -15.2 -2.1 137 137 A T H ><5S+ 0 0 94 -4,-2.2 3,-1.9 -5,-0.3 -2,-0.2 0.962 111.8 48.8 -67.4 -48.6 29.9 -13.8 -5.3 138 138 A K H 3<5S+ 0 0 156 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.824 116.0 46.7 -56.4 -34.4 33.3 -13.0 -3.7 139 139 A N T ><5S- 0 0 9 -4,-1.8 3,-1.0 3,-0.3 -1,-0.3 0.174 114.3-115.1-102.9 15.8 33.3 -16.5 -2.2 140 140 A N T < 5S- 0 0 129 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.881 84.7 -34.0 61.1 42.3 32.2 -18.3 -5.4 141 141 A G T 3 S+ 0 0 0 3,-0.5 3,-1.7 -5,-0.2 -1,-0.2 -0.994 116.8 16.2-153.8 160.1 33.3 -17.9 3.5 145 145 A L T 3 S- 0 0 33 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 0.481 104.9 -86.0 59.6 7.3 36.8 -18.6 2.4 146 146 A G T 3 S+ 0 0 31 1,-0.2 -1,-0.3 -4,-0.1 2,-0.3 0.682 108.0 63.5 70.3 14.8 35.7 -19.3 -1.2 147 147 A K S < S- 0 0 110 -3,-1.7 -3,-0.5 -6,-0.0 -1,-0.2 -0.934 98.9 -50.4-159.7 178.5 35.0 -22.9 -0.3 148 148 A L + 0 0 38 -2,-0.3 2,-0.3 -3,-0.1 -6,-0.1 -0.409 62.1 155.0 -64.3 130.2 32.8 -25.3 1.7 149 149 A T >> - 0 0 2 -2,-0.1 3,-1.8 -72,-0.1 4,-0.8 -0.929 60.8 -96.2-143.1 169.2 32.8 -24.4 5.4 150 150 A W H 3> S+ 0 0 1 -74,-2.1 4,-2.2 -2,-0.3 3,-0.3 0.781 119.8 70.6 -59.0 -23.3 30.4 -24.9 8.4 151 151 A G H 3> S+ 0 0 0 -75,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.836 92.4 56.6 -64.7 -26.5 29.0 -21.5 7.5 152 152 A D H <> S+ 0 0 0 -3,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.877 106.4 49.5 -72.3 -33.6 27.5 -23.1 4.3 153 153 A F H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.3 5,-0.3 0.907 108.1 53.2 -70.2 -43.6 25.6 -25.6 6.5 154 154 A V H X S+ 0 0 14 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.949 115.3 41.3 -50.4 -50.5 24.4 -22.7 8.8 155 155 A Y H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.932 114.3 50.3 -66.8 -47.5 23.0 -20.9 5.7 156 156 A A H < S+ 0 0 16 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.883 109.8 51.6 -60.7 -39.5 21.6 -24.0 4.0 157 157 A G H < S+ 0 0 1 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.895 120.2 31.9 -66.3 -39.0 19.8 -25.1 7.1 158 158 A M H X S+ 0 0 10 -4,-1.6 4,-2.7 -5,-0.3 5,-0.2 0.489 88.1 100.5-102.5 0.1 18.1 -21.9 7.8 159 159 A Y H X S+ 0 0 5 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.905 85.1 44.9 -55.1 -50.4 17.6 -20.5 4.3 160 160 A D H > S+ 0 0 56 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.909 113.5 52.2 -62.2 -38.5 13.9 -21.5 3.8 161 161 A Y H > S+ 0 0 17 42,-0.4 4,-2.5 -4,-0.3 5,-0.2 0.919 109.2 49.7 -60.1 -45.0 13.1 -20.2 7.3 162 162 A L H X S+ 0 0 6 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.960 112.0 48.3 -57.8 -48.5 14.8 -16.9 6.4 163 163 A K H X>S+ 0 0 23 -4,-2.5 5,-2.9 -5,-0.2 4,-0.6 0.918 110.3 51.0 -60.8 -45.8 12.7 -16.7 3.3 164 164 A A H ><5S+ 0 0 36 -4,-3.0 3,-0.7 3,-0.2 -1,-0.2 0.905 113.1 45.2 -58.5 -41.5 9.5 -17.5 5.1 165 165 A M H 3<5S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.912 113.0 50.4 -72.1 -34.3 10.2 -14.7 7.7 166 166 A L H 3<5S- 0 0 3 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.626 106.6-133.4 -68.5 -10.7 11.1 -12.3 4.9 167 167 A Q T <<5 + 0 0 87 -3,-0.7 -3,-0.2 -4,-0.6 3,-0.1 0.902 68.4 128.2 49.7 44.7 7.9 -13.3 3.2 168 168 A K > < + 0 0 38 -5,-2.9 3,-1.5 -6,-0.2 4,-0.2 -0.639 25.2 161.4-133.0 76.4 10.0 -13.6 0.2 169 169 A P T 3 S+ 0 0 98 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.813 81.5 51.1 -66.8 -29.2 9.6 -17.0 -1.5 170 170 A D T >> S+ 0 0 98 1,-0.2 3,-2.7 -3,-0.1 4,-0.8 0.218 73.0 122.9 -88.9 13.2 11.1 -15.7 -4.8 171 171 A L H X> S+ 0 0 12 -3,-1.5 4,-1.5 1,-0.3 3,-1.4 0.882 72.3 49.3 -49.5 -50.8 14.2 -14.2 -3.1 172 172 A E H 34 S+ 0 0 47 -3,-0.3 -1,-0.3 1,-0.3 7,-0.2 0.522 95.2 75.3 -72.3 -3.6 16.7 -16.2 -5.2 173 173 A Q H <4 S+ 0 0 161 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.838 106.0 33.5 -66.8 -38.8 14.9 -15.1 -8.4 174 174 A K H << S+ 0 0 164 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.1 0.795 133.7 34.0 -78.3 -32.4 16.5 -11.6 -8.0 175 175 A Y >< + 0 0 13 -4,-1.5 3,-1.8 1,-0.1 -1,-0.2 -0.770 64.0 174.7-126.7 81.8 19.6 -13.1 -6.5 176 176 A P G > S+ 0 0 92 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.808 76.0 72.6 -67.4 -22.3 20.4 -16.5 -8.0 177 177 A A G > S+ 0 0 17 1,-0.3 3,-1.8 2,-0.2 -5,-0.1 0.798 81.7 74.7 -51.4 -29.2 23.7 -16.6 -6.0 178 178 A F G < S+ 0 0 0 -3,-1.8 4,-0.3 1,-0.3 -1,-0.3 0.716 90.0 55.7 -63.7 -22.0 21.5 -17.2 -2.9 179 179 A R G <> S+ 0 0 115 -3,-1.7 4,-1.9 -4,-0.2 3,-0.4 0.622 88.2 84.7 -78.7 -16.0 20.9 -20.8 -4.0 180 180 A K H <> S+ 0 0 103 -3,-1.8 4,-2.6 -4,-0.4 5,-0.2 0.862 80.7 51.5 -70.5 -43.7 24.5 -21.7 -4.2 181 181 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.827 111.1 53.6 -57.4 -32.1 25.6 -22.6 -0.7 182 182 A I H > S+ 0 0 18 -3,-0.4 4,-2.7 -4,-0.3 -2,-0.2 0.904 108.6 48.1 -66.5 -44.3 22.7 -25.0 -0.6 183 183 A E H X S+ 0 0 91 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.900 109.8 52.9 -61.1 -39.2 23.9 -26.6 -3.9 184 184 A A H < S+ 0 0 24 -4,-2.6 3,-0.3 -43,-0.2 4,-0.3 0.925 113.5 42.6 -62.7 -44.7 27.4 -26.9 -2.4 185 185 A V H >< S+ 0 0 1 -4,-1.9 3,-1.4 1,-0.2 7,-0.2 0.897 113.5 51.2 -67.7 -43.2 26.1 -28.7 0.7 186 186 A L H 3< S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.604 95.2 73.5 -74.7 -6.1 23.7 -30.9 -1.3 187 187 A A T 3< S+ 0 0 73 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.715 75.4 94.7 -72.3 -20.5 26.5 -31.9 -3.6 188 188 A I S X> S- 0 0 37 -3,-1.4 4,-2.8 -4,-0.3 3,-0.8 -0.596 73.8-143.7 -82.4 118.8 28.0 -34.1 -0.8 189 189 A P H 3> S+ 0 0 106 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.896 99.1 51.3 -51.7 -45.6 26.8 -37.6 -1.3 190 190 A K H 3> S+ 0 0 115 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.856 115.3 43.6 -58.7 -33.3 26.4 -38.3 2.4 191 191 A V H <> S+ 0 0 0 -3,-0.8 4,-3.1 2,-0.2 -1,-0.2 0.938 111.5 50.9 -80.1 -42.9 24.4 -35.1 2.9 192 192 A K H X S+ 0 0 111 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.894 109.6 53.1 -62.3 -38.7 22.2 -35.5 -0.2 193 193 A A H X S+ 0 0 56 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.946 109.7 47.2 -61.5 -47.9 21.4 -39.1 1.0 194 194 A Y H X S+ 0 0 32 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.954 112.8 50.3 -59.6 -46.7 20.4 -37.8 4.4 195 195 A V H >< S+ 0 0 50 -4,-3.1 3,-0.6 2,-0.3 -1,-0.2 0.901 111.1 46.1 -58.6 -43.7 18.2 -35.1 2.8 196 196 A D H 3< S+ 0 0 111 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.862 117.3 48.9 -64.5 -32.6 16.5 -37.5 0.5 197 197 A A H 3< S+ 0 0 83 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.3 0.648 101.5 81.7 -78.2 -19.8 16.1 -39.6 3.6 198 198 A A S << S- 0 0 16 -4,-1.3 -3,-0.0 -3,-0.6 -4,-0.0 -0.467 85.0 -96.8 -95.1 159.8 14.8 -36.8 5.8 199 199 A P - 0 0 81 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.324 38.5-129.0 -63.8 156.8 11.3 -35.2 6.4 200 200 A R + 0 0 237 -189,-0.0 2,-0.3 2,-0.0 -5,-0.0 -0.879 27.8 173.5-106.5 143.8 10.5 -32.0 4.5 201 201 A T - 0 0 43 -2,-0.4 -191,-0.1 1,-0.0 -41,-0.1 -0.971 40.4-120.6-144.8 158.3 9.1 -28.8 6.0 202 202 A E 0 0 163 -2,-0.3 -38,-0.2 1,-0.2 -192,-0.1 0.576 360.0 360.0 -81.5 -8.0 8.5 -25.4 4.5 203 203 A L 0 0 31 -40,-0.1 -191,-3.3 -39,-0.1 -42,-0.4 0.374 360.0 360.0-149.3 360.0 10.9 -23.8 7.1