==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN/ANTITOXIN 09-MAY-12 4ATO . COMPND 2 MOLECULE: TOXN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR F.L.SHORT,X.Y.PEI,T.R.BLOWER,S.L.ONG,B.F.LUISI,G.P.C.SALMOND . 168 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 15.5 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 9 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 5 A D 0 0 155 0, 0.0 120,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 -25.7 -44.0 -30.0 6.7 2 6 A N - 0 0 68 37,-0.1 116,-0.1 1,-0.1 112,-0.0 -0.887 360.0-106.2-103.7 133.7 -42.7 -30.2 10.3 3 7 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 35,-0.1 -0.124 25.9-155.7 -63.0 144.0 -41.3 -27.0 11.9 4 8 A K - 0 0 110 33,-0.3 33,-2.5 89,-0.0 2,-0.2 -0.976 11.1-139.9-116.6 134.5 -37.6 -26.3 12.6 5 9 A F E -A 36 0A 5 -2,-0.4 89,-1.6 89,-0.3 2,-0.3 -0.568 23.9-177.7 -84.5 155.7 -36.5 -24.0 15.3 6 10 A H E -AB 35 93A 26 29,-2.2 29,-2.7 87,-0.2 2,-0.4 -0.991 24.4-140.1-147.8 153.6 -33.5 -21.6 14.7 7 11 A T E -AB 34 92A 27 85,-2.1 85,-2.3 -2,-0.3 2,-0.4 -0.879 24.6-142.9-104.3 151.0 -31.4 -19.0 16.4 8 12 A I E - B 0 91A 2 25,-0.5 83,-0.2 -2,-0.4 25,-0.1 -0.922 23.5-103.3-117.4 140.4 -30.4 -16.0 14.4 9 13 A S > - 0 0 38 81,-2.5 4,-2.0 -2,-0.4 3,-0.2 -0.338 21.9-134.9 -64.3 138.5 -27.0 -14.2 14.7 10 14 A T H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.765 103.7 62.8 -67.5 -24.1 -27.2 -11.0 16.7 11 15 A E H > S+ 0 0 154 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.953 107.2 41.7 -62.3 -49.7 -25.1 -9.3 14.0 12 16 A Y H > S+ 0 0 4 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.868 114.0 52.6 -68.5 -35.4 -27.8 -9.8 11.4 13 17 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.951 111.7 45.1 -63.7 -48.6 -30.6 -8.9 13.9 14 18 A D H X S+ 0 0 85 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.860 111.5 54.4 -62.1 -36.1 -28.9 -5.6 14.8 15 19 A Y H X S+ 0 0 53 -4,-2.0 4,-0.5 -5,-0.2 3,-0.4 0.899 111.2 45.1 -65.6 -40.1 -28.3 -5.0 11.1 16 20 A L H >X S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 4,-1.5 0.934 104.4 60.5 -68.6 -44.0 -32.0 -5.5 10.4 17 21 A R H 3< S+ 0 0 51 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.705 91.9 70.4 -62.9 -16.4 -33.2 -3.3 13.3 18 22 A E H 3< S+ 0 0 137 -4,-0.9 -1,-0.3 -3,-0.4 3,-0.2 0.904 107.7 35.9 -57.6 -42.2 -31.3 -0.5 11.7 19 23 A A H << S+ 0 0 17 -3,-2.0 2,-0.3 -4,-0.5 -2,-0.2 0.759 134.0 20.4 -86.3 -27.5 -34.0 -0.5 9.0 20 24 A D >< - 0 0 12 -4,-1.5 3,-1.6 137,-0.1 -1,-0.3 -0.886 59.5-155.8-149.3 115.4 -37.0 -1.4 11.2 21 25 A S T 3 S+ 0 0 100 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.530 87.4 74.7 -69.3 -5.8 -37.1 -0.9 15.0 22 26 A K T 3 + 0 0 77 130,-0.1 -1,-0.3 2,-0.1 131,-0.2 0.520 64.2 116.0 -86.7 -4.8 -39.8 -3.6 15.4 23 27 A V S < S- 0 0 3 -3,-1.6 2,-0.1 1,-0.1 60,-0.1 -0.423 78.4-102.6 -60.7 135.8 -37.3 -6.4 14.9 24 28 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.416 28.7-110.7 -70.4 137.6 -37.1 -8.4 18.2 25 29 A F - 0 0 124 1,-0.1 8,-0.1 -2,-0.1 -15,-0.0 -0.382 24.9-143.3 -55.2 137.1 -34.2 -7.9 20.6 26 30 A N - 0 0 7 -16,-0.1 7,-2.0 6,-0.1 -1,-0.1 0.744 13.0-162.6 -80.9 -22.8 -32.2 -11.2 20.5 27 31 A K > + 0 0 139 5,-0.2 3,-0.6 1,-0.2 4,-0.4 0.883 16.6 173.2 34.3 63.6 -31.3 -11.3 24.1 28 32 A D T 3 + 0 0 89 1,-0.2 4,-0.4 4,-0.1 -1,-0.2 0.322 42.0 109.0 -81.0 12.4 -28.5 -13.8 23.5 29 33 A E T 3 S- 0 0 187 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.864 105.2 -16.2 -61.7 -42.3 -27.2 -13.6 27.1 30 34 A Q S < S+ 0 0 165 -3,-0.6 2,-0.5 1,-0.1 -2,-0.1 0.606 143.1 21.3-125.5 -49.0 -28.5 -17.1 28.1 31 35 A H S S- 0 0 51 -4,-0.4 -2,-0.2 -5,-0.0 -1,-0.1 -0.837 76.2-140.2-128.6 95.3 -31.0 -18.3 25.5 32 36 A S - 0 0 23 -2,-0.5 -5,-0.2 -4,-0.4 -4,-0.1 -0.261 43.5 -88.5 -54.0 133.2 -30.9 -16.6 22.1 33 37 A R - 0 0 37 -7,-2.0 -25,-0.5 1,-0.1 -1,-0.2 -0.200 45.3-135.7 -57.0 119.8 -34.4 -16.0 20.9 34 38 A P E -A 7 0A 13 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.492 18.7-164.2 -79.8 147.5 -35.7 -19.0 19.0 35 39 A Y E -AC 6 50A 0 -29,-2.7 -29,-2.2 15,-0.2 2,-0.4 -0.935 15.2-130.1-125.3 149.6 -37.5 -18.5 15.7 36 40 A V E -AC 5 49A 0 13,-2.9 13,-3.0 -2,-0.3 2,-0.4 -0.847 26.6-119.5-101.3 136.9 -39.7 -21.0 13.8 37 41 A G E - C 0 48A 10 -33,-2.5 -33,-0.3 -2,-0.4 11,-0.2 -0.624 21.3-124.0 -78.5 125.8 -39.0 -21.5 10.1 38 42 A V - 0 0 27 9,-2.4 9,-0.2 -2,-0.4 4,-0.1 -0.511 25.4-126.8 -62.1 134.0 -41.9 -20.7 7.7 39 43 A L S S+ 0 0 72 -2,-0.2 2,-0.3 82,-0.1 -1,-0.1 0.843 86.8 34.5 -61.0 -41.1 -42.4 -23.8 5.7 40 44 A E S S- 0 0 140 1,-0.1 7,-0.3 85,-0.0 5,-0.1 -0.888 90.0-103.6-117.4 150.0 -42.2 -22.2 2.3 41 45 A K - 0 0 131 -2,-0.3 2,-0.5 5,-0.1 5,-0.2 -0.234 26.0-140.3 -61.4 152.9 -40.1 -19.3 0.9 42 46 A I B > S-E 45 0B 26 3,-2.6 3,-2.5 1,-0.1 -1,-0.1 -0.982 80.1 -23.6-119.7 117.6 -41.8 -16.0 0.4 43 47 A N T 3 S- 0 0 118 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.836 128.6 -50.4 47.7 39.7 -40.6 -14.2 -2.7 44 48 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.339 115.6 118.3 86.9 -6.0 -37.4 -16.2 -2.6 45 49 A H B < -E 42 0B 11 -3,-2.5 -3,-2.6 -5,-0.1 2,-0.7 -0.747 63.9-131.0 -99.2 139.5 -36.7 -15.4 1.1 46 50 A D - 0 0 48 -2,-0.3 40,-2.5 40,-0.3 2,-0.3 -0.791 32.0-156.6 -80.5 117.4 -36.5 -17.7 4.0 47 51 A Y E - D 0 85A 2 -2,-0.7 -9,-2.4 -7,-0.3 2,-0.4 -0.743 8.8-162.5-101.4 150.1 -38.8 -16.3 6.7 48 52 A F E -CD 37 84A 14 36,-2.4 36,-2.3 -2,-0.3 -11,-0.2 -0.996 9.1-146.7-136.9 131.2 -38.5 -16.9 10.5 49 53 A V E -C 36 0A 1 -13,-3.0 -13,-2.9 -2,-0.4 31,-0.1 -0.881 22.1-131.3-105.8 118.2 -41.1 -16.2 13.1 50 54 A P E -C 35 0A 0 0, 0.0 29,-2.6 0, 0.0 2,-0.3 -0.329 12.1-139.4 -71.4 144.3 -39.9 -15.2 16.6 51 55 A L E -F 78 0C 6 -17,-2.4 2,-0.3 27,-0.2 27,-0.2 -0.750 17.0-169.8 -93.9 148.5 -41.0 -16.8 19.8 52 56 A T E -F 77 0C 18 25,-1.6 25,-1.9 -2,-0.3 23,-0.0 -0.969 24.0-150.6-131.9 153.9 -41.7 -14.8 23.0 53 57 A S + 0 0 70 -2,-0.3 2,-2.8 23,-0.2 3,-0.2 0.342 69.1 109.5 -97.7 2.1 -42.4 -15.9 26.6 54 58 A R > + 0 0 152 1,-0.2 3,-1.4 23,-0.1 -1,-0.1 -0.385 43.1 164.8 -74.8 67.7 -44.5 -12.9 27.3 55 59 A N T 3 + 0 0 29 -2,-2.8 -1,-0.2 1,-0.3 4,-0.1 0.602 60.8 54.0 -66.1 -17.8 -47.6 -15.2 27.4 56 60 A D T 3 S+ 0 0 142 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.348 78.5 115.7-104.0 4.6 -50.0 -12.8 29.1 57 61 A K S < S- 0 0 126 -3,-1.4 2,-1.2 1,-0.1 0, 0.0 -0.212 80.9 -93.8 -66.0 164.4 -49.8 -9.8 26.8 58 62 A N - 0 0 164 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.715 54.7-180.0 -76.6 98.6 -52.8 -8.6 24.8 59 63 A F - 0 0 32 -2,-1.2 2,-0.4 -4,-0.1 5,-0.1 -0.864 26.9-133.0-102.5 138.0 -52.2 -10.3 21.5 60 64 A N > - 0 0 62 -2,-0.4 3,-1.5 1,-0.1 4,-0.1 -0.744 18.7-134.5 -82.2 136.0 -54.4 -10.0 18.4 61 65 A S G > S+ 0 0 82 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.783 98.1 69.4 -66.4 -25.3 -55.1 -13.4 17.0 62 66 A Q G 3 S+ 0 0 64 1,-0.2 -1,-0.3 68,-0.0 69,-0.2 0.755 110.8 31.0 -64.3 -24.6 -54.5 -12.3 13.4 63 67 A V G < S+ 0 0 7 -3,-1.5 18,-1.3 17,-0.1 17,-1.0 0.080 115.9 57.4-123.7 23.2 -50.7 -11.9 14.1 64 68 A S E < -G 79 0C 4 -3,-1.1 2,-0.4 15,-0.2 15,-0.2 -0.995 52.8-154.6-150.7 157.2 -50.0 -14.5 16.8 65 69 A V E -G 78 0C 8 13,-1.6 13,-3.2 -2,-0.3 2,-0.4 -0.970 19.8-148.7-131.5 116.4 -50.1 -18.1 17.6 66 70 A K E -G 77 0C 76 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.714 11.9-146.3 -84.0 130.7 -50.3 -19.1 21.3 67 71 A L E - 0 0 0 9,-2.8 8,-2.2 -2,-0.4 2,-0.3 -0.796 15.5-172.0 -96.8 141.3 -48.6 -22.3 22.2 68 72 A F E -G 74 0C 70 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.977 14.4-136.4-131.5 146.2 -50.0 -24.6 24.9 69 73 A D > - 0 0 14 4,-2.0 3,-2.0 -2,-0.3 6,-0.0 -0.332 42.5 -87.5 -90.2 179.4 -48.6 -27.7 26.6 70 74 A N T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.711 129.3 49.1 -63.0 -22.3 -50.6 -30.9 27.4 71 75 A D T 3 S- 0 0 124 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.331 121.8-107.2 -98.1 6.2 -51.7 -29.5 30.8 72 76 A E < + 0 0 150 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.635 67.6 147.8 82.3 14.9 -52.7 -26.3 29.2 73 77 A K - 0 0 137 1,-0.1 -4,-2.0 2,-0.0 2,-0.4 -0.544 56.0-105.1 -78.0 149.4 -50.0 -24.1 30.4 74 78 A R E + G 0 68C 119 -6,-0.2 -6,-0.2 -2,-0.2 -19,-0.1 -0.609 39.7 175.9 -75.8 127.3 -48.9 -21.2 28.2 75 79 A I E - 0 0 17 -8,-2.2 -7,-0.1 1,-0.4 -1,-0.1 -0.290 54.9 -45.7-129.8 49.9 -45.6 -22.1 26.6 76 80 A G E - 0 0 3 -9,-0.2 -9,-2.8 -23,-0.2 -1,-0.4 -0.247 47.0-118.6 113.5 159.9 -44.8 -19.2 24.2 77 81 A V E -FG 52 66C 2 -25,-1.9 -25,-1.6 -11,-0.2 2,-0.6 -0.994 19.4-135.2-137.1 129.4 -46.4 -17.0 21.6 78 82 A L E -FG 51 65C 0 -13,-3.2 -13,-1.6 -2,-0.4 2,-1.1 -0.786 15.9-146.5 -85.1 126.5 -45.3 -16.9 17.9 79 83 A L E > + G 0 64C 16 -29,-2.6 3,-1.5 -2,-0.6 -15,-0.2 -0.708 22.7 174.1 -92.6 87.1 -45.2 -13.2 16.8 80 84 A V G > S+ 0 0 0 -2,-1.1 3,-1.6 -17,-1.0 -1,-0.2 0.856 78.4 65.6 -65.7 -25.4 -46.1 -13.4 13.1 81 85 A N G 3 S+ 0 0 19 -18,-1.3 72,-2.5 1,-0.3 -1,-0.3 0.747 104.6 45.4 -62.0 -25.4 -46.1 -9.5 13.2 82 86 A N G < S+ 0 0 22 -3,-1.5 -1,-0.3 -19,-0.2 -2,-0.2 0.128 80.6 138.9-105.6 20.3 -42.3 -9.7 13.8 83 87 A M < - 0 0 0 -3,-1.6 -34,-0.2 -34,-0.1 70,-0.1 -0.335 33.3-164.2 -64.7 147.9 -41.4 -12.3 11.3 84 88 A I E -D 48 0A 0 -36,-2.3 -36,-2.4 74,-0.0 2,-0.4 -0.961 22.5-118.4-137.3 149.7 -38.1 -11.6 9.4 85 89 A P E -D 47 0A 0 0, 0.0 -38,-0.2 0, 0.0 -40,-0.0 -0.753 37.8-177.2 -85.5 136.0 -36.3 -12.7 6.2 86 90 A V - 0 0 2 -40,-2.5 -40,-0.3 -2,-0.4 2,-0.1 -1.000 25.4-123.8-139.9 135.0 -32.9 -14.3 7.1 87 91 A P > - 0 0 3 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.483 32.5-114.0 -75.0 151.9 -30.0 -15.6 4.9 88 92 A E T 3 S+ 0 0 132 1,-0.3 3,-0.5 2,-0.2 -2,-0.0 0.616 113.0 58.4 -68.9 -12.9 -29.0 -19.2 5.6 89 93 A K T 3 S+ 0 0 95 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.681 101.4 56.0 -86.1 -18.2 -25.5 -18.2 6.9 90 94 A E S < S+ 0 0 35 -3,-1.7 -81,-2.5 -82,-0.0 2,-0.4 0.266 102.2 66.1 -98.9 14.3 -27.0 -16.0 9.6 91 95 A C E -B 8 0A 26 -3,-0.5 2,-0.4 -83,-0.2 -83,-0.2 -0.995 61.4-156.4-137.0 144.0 -29.1 -18.8 11.2 92 96 A K E -B 7 0A 135 -85,-2.3 -85,-2.1 -2,-0.4 2,-0.2 -0.938 22.6-121.1-117.8 138.2 -28.4 -22.0 13.1 93 97 A E E -B 6 0A 80 -2,-0.4 2,-0.6 -87,-0.2 -87,-0.2 -0.511 28.2-125.9 -72.7 140.1 -30.7 -25.0 13.4 94 98 A I - 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0 0 46 -3,-0.8 2,-0.3 -4,-0.1 -3,-0.0 -0.351 58.2-108.0 -74.8 166.5 -50.5 -4.3 -0.4 138 142 A Q - 0 0 182 2,-0.1 2,-0.2 -2,-0.0 -2,-0.0 -0.963 53.1 -14.1-150.1 160.6 -50.7 -0.9 -2.0 139 143 A G S S+ 0 0 61 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.696 106.1 25.4-108.0 -48.7 -51.7 1.6 -2.1 140 144 A K S S- 0 0 191 -2,-0.2 2,-0.2 1,-0.1 -2,-0.1 -0.595 74.8-138.4 -78.6 115.4 -54.6 2.9 0.0 141 145 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.472 7.2-131.1 -76.4 136.7 -54.8 0.7 3.1 142 146 A S > - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.111 41.2 -90.2 -64.4 175.2 -58.1 -0.5 4.6 143 147 A H H > S+ 0 0 187 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.938 131.0 45.5 -51.6 -47.9 -58.8 -0.1 8.3 144 148 A K H > S+ 0 0 98 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.933 108.5 53.5 -66.4 -48.7 -57.2 -3.5 8.9 145 149 A Q H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.829 107.1 54.0 -56.6 -34.6 -54.1 -3.0 6.7 146 150 A K H X S+ 0 0 121 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.930 110.5 45.8 -64.3 -46.4 -53.4 0.2 8.6 147 151 A F H X S+ 0 0 83 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.946 114.9 47.8 -59.5 -47.6 -53.5 -1.7 11.9 148 152 A L H X S+ 0 0 4 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.918 110.0 51.6 -63.2 -44.9 -51.4 -4.5 10.4 149 153 A K H < S+ 0 0 49 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.869 111.2 49.4 -58.9 -38.1 -48.8 -2.1 9.0 150 154 A G H < S+ 0 0 49 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.885 117.6 37.5 -68.6 -39.8 -48.5 -0.4 12.4 151 155 A V H < S+ 0 0 51 -4,-2.0 2,-0.3 -5,-0.1 -2,-0.2 0.612 108.9 72.9 -92.3 -12.3 -48.0 -3.5 14.4 152 156 A C S < S- 0 0 1 -4,-1.8 -70,-0.2 -5,-0.2 -71,-0.1 -0.742 85.8-101.1-106.0 150.4 -45.8 -5.5 11.9 153 157 A C - 0 0 0 -72,-2.5 2,-1.7 -2,-0.3 -1,-0.1 -0.217 45.8-100.3 -51.4 152.9 -42.3 -5.1 10.7 154 158 A D > - 0 0 72 1,-0.2 4,-2.1 2,-0.1 3,-0.3 -0.661 44.6-172.1 -78.5 86.2 -41.8 -3.4 7.3 155 159 A F H > S+ 0 0 0 -2,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.890 77.4 51.2 -54.2 -47.3 -41.4 -6.7 5.5 156 160 A P H > S+ 0 0 53 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.897 109.5 50.7 -60.5 -39.6 -40.4 -5.2 2.1 157 161 A K H > S+ 0 0 98 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.930 110.8 48.9 -62.0 -44.3 -37.7 -3.0 3.7 158 162 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.827 107.2 56.1 -64.6 -32.2 -36.2 -6.1 5.5 159 163 A E H X S+ 0 0 25 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 106.2 50.5 -67.0 -39.3 -36.2 -8.1 2.2 160 164 A E H X S+ 0 0 121 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.917 109.4 51.1 -59.7 -45.6 -34.1 -5.3 0.6 161 165 A K H X S+ 0 0 29 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.886 108.6 51.6 -60.7 -39.1 -31.7 -5.6 3.6 162 166 A C H X S+ 0 0 2 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.927 110.5 48.9 -61.3 -44.9 -31.6 -9.3 3.1 163 167 A Q H >< S+ 0 0 110 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.930 108.2 53.4 -59.3 -47.5 -30.7 -8.7 -0.6 164 168 A E H 3< S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 102.0 59.7 -58.5 -33.4 -28.1 -6.2 0.3 165 169 A Y H >< S+ 0 0 36 -4,-1.7 2,-3.3 1,-0.2 3,-1.1 0.858 84.8 82.4 -62.3 -35.0 -26.5 -8.9 2.6 166 170 A K T << + 0 0 100 -4,-1.1 -1,-0.2 -3,-0.9 -3,-0.1 -0.256 55.9 101.7 -71.6 55.6 -26.1 -11.0 -0.5 167 171 A E T 3 0 0 172 -2,-3.3 -1,-0.3 -3,-0.1 -2,-0.1 0.334 360.0 360.0-106.5 -7.4 -22.9 -9.2 -1.4 168 172 A R < 0 0 226 -3,-1.1 -3,-0.0 0, 0.0 0, 0.0 -0.206 360.0 360.0 -72.1 360.0 -21.1 -12.3 0.1