==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 30-JUN-09 3I3I . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 HOMOLOG BOTHROPSTOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTHROPS JARARACUSSU; . AUTHOR G.H.M.SALVADOR,D.P.MARCHI-SALVADOR,A.M.SOARES,M.R.M.FONTES . 121 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 61.2 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 . 7 5.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 5 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S > 0 0 1 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-178.3 13.9 4.6 23.8 2 2 A L H > + 0 0 99 58,-2.2 4,-2.7 1,-0.3 5,-0.2 0.776 360.0 62.1 -62.9 -25.6 17.2 3.8 25.4 3 3 A F H > S+ 0 0 146 57,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.947 108.3 38.6 -66.6 -51.0 18.6 3.3 21.9 4 4 A E H > S+ 0 0 13 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.915 118.5 50.4 -62.0 -45.9 17.9 6.9 20.8 5 5 A L H X S+ 0 0 21 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.947 112.2 46.8 -59.6 -41.6 19.0 8.3 24.2 6 6 A G H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.911 112.1 50.1 -68.4 -42.4 22.2 6.3 24.1 7 7 A K H X S+ 0 0 123 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.916 109.9 50.9 -63.0 -44.8 23.0 7.3 20.6 8 8 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.909 109.7 50.0 -60.2 -41.9 22.4 11.1 21.5 9 9 A I H X>S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 5,-0.5 0.916 112.3 47.7 -64.6 -40.3 24.7 10.9 24.5 10 10 A L H X5S+ 0 0 88 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.939 112.2 49.8 -66.2 -41.0 27.4 9.3 22.4 11 11 A Q H <5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.904 120.5 35.2 -64.7 -41.6 26.9 12.0 19.6 12 12 A E H <5S+ 0 0 27 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 131.2 26.5 -76.9 -49.8 27.2 14.9 22.0 13 13 A T H <5S- 0 0 17 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.673 86.0-135.4 -91.7 -21.5 29.7 13.6 24.5 14 15 A G << + 0 0 60 -4,-2.1 2,-0.3 -5,-0.5 -4,-0.2 0.489 66.3 122.9 75.3 0.8 31.8 11.2 22.5 15 16 A K S S- 0 0 43 -6,-0.5 -1,-0.3 1,-0.0 -2,-0.2 -0.692 76.8-104.2 -97.5 152.5 31.6 8.8 25.5 16 17 A N > - 0 0 96 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 -0.579 38.0-147.5 -68.7 116.5 30.2 5.1 25.7 17 18 A P H >>S+ 0 0 28 0, 0.0 4,-2.6 0, 0.0 5,-0.7 0.893 88.8 47.5 -62.0 -41.5 26.9 5.9 27.4 18 19 A A H >5S+ 0 0 74 3,-0.2 4,-1.4 2,-0.2 5,-0.3 0.937 115.1 45.3 -69.0 -39.7 26.4 2.8 29.3 19 20 A K H 45S+ 0 0 105 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.946 124.1 33.1 -70.4 -42.6 29.9 2.8 30.7 20 21 A S H <5S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.853 137.7 13.7 -77.2 -36.4 29.9 6.5 31.6 21 22 A Y H ><5S+ 0 0 10 -4,-2.6 3,-0.6 -5,-0.3 -3,-0.2 0.380 93.9 96.2-126.2 -2.8 26.4 7.2 32.6 22 23 A G T 3< - 0 0 0 -3,-0.6 4,-2.0 4,-0.3 3,-0.6 -0.637 61.7 -42.3 -93.4 130.4 26.6 7.4 37.7 25 26 A G T 34 S- 0 0 2 82,-2.4 90,-0.1 -2,-0.3 87,-0.1 -0.082 100.7 -43.6 56.6-148.8 25.8 9.2 41.0 26 27 A a T 34 S+ 0 0 1 9,-0.2 -1,-0.2 8,-0.1 9,-0.1 0.539 134.7 29.2 -95.8 -6.8 22.3 9.1 42.4 27 28 A N T <4 S+ 0 0 2 -3,-0.6 2,-0.8 6,-0.1 -2,-0.2 0.532 89.2 90.7-131.5 -16.6 20.3 9.8 39.2 28 29 A b S < S+ 0 0 8 -4,-2.0 2,-0.3 3,-0.0 -4,-0.3 -0.765 92.4 1.8 -88.9 121.8 22.0 8.6 36.1 29 30 A G S S+ 0 0 31 -2,-0.8 -6,-0.2 -6,-0.2 3,-0.1 -0.885 104.9 41.3 115.4-148.1 20.9 5.0 35.3 30 31 A V S S- 0 0 115 -8,-0.7 0, 0.0 -2,-0.3 0, 0.0 -0.065 100.0 -59.0 -66.8 146.2 18.5 2.7 37.1 31 32 A L S S+ 0 0 138 17,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.636 90.1 37.8 -62.5 171.8 15.3 4.1 38.2 32 33 A G - 0 0 38 -3,-0.1 2,-0.2 -5,-0.1 16,-0.1 0.051 64.4-104.7 76.7 155.2 14.8 6.9 40.6 33 34 A R + 0 0 51 15,-0.1 85,-0.6 85,-0.1 2,-0.3 -0.587 29.3 174.7-103.5 166.4 16.1 10.1 41.6 34 35 A G B -A 117 0A 1 -2,-0.2 83,-0.2 83,-0.2 -8,-0.1 -0.945 53.2 -61.2-159.2 171.5 18.2 11.1 44.7 35 36 A K S S- 0 0 120 81,-2.4 81,-0.3 -2,-0.3 -9,-0.2 -0.414 71.0-107.7 -61.1 134.2 19.9 14.3 45.8 36 37 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.287 18.1-152.0 -71.2 148.1 22.5 14.9 43.0 37 38 A K S S- 0 0 90 1,-0.2 2,-0.2 -3,-0.1 -12,-0.1 0.750 73.0 -27.0 -86.2 -25.8 26.2 14.4 43.7 38 39 A D S > S- 0 0 23 1,-0.0 4,-2.5 66,-0.0 5,-0.2 -0.906 83.9 -65.1-171.0-173.5 27.4 16.9 41.1 39 40 A A H > S+ 0 0 24 -2,-0.2 4,-1.7 2,-0.2 5,-0.1 0.872 127.4 51.6 -63.1 -43.5 26.4 18.7 37.8 40 41 A T H > S+ 0 0 0 59,-0.3 4,-1.4 2,-0.2 3,-0.3 0.942 112.3 46.9 -56.1 -46.8 26.5 15.6 35.7 41 42 A D H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.897 107.7 56.1 -64.0 -36.7 24.2 13.8 38.1 42 43 A R H X S+ 0 0 128 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.867 99.3 60.3 -68.6 -26.8 21.9 16.8 38.2 43 44 A c H X S+ 0 0 3 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.938 109.4 44.4 -58.3 -44.1 21.5 16.6 34.4 44 45 A b H X S+ 0 0 9 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.831 109.9 54.3 -69.2 -34.3 20.1 13.1 35.0 45 46 A Y H X S+ 0 0 35 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.952 111.3 45.8 -62.3 -49.5 17.9 14.4 37.9 46 47 A V H X S+ 0 0 88 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.903 110.7 54.0 -60.0 -41.4 16.4 17.0 35.6 47 48 A H H X S+ 0 0 21 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.943 108.3 48.4 -60.6 -42.6 16.0 14.3 32.8 48 49 A K H X S+ 0 0 32 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.878 112.1 49.1 -70.8 -34.4 14.0 12.0 35.2 49 50 A d H >< S+ 0 0 25 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.897 107.9 55.4 -65.7 -41.4 11.8 15.0 36.3 50 51 A e H >< S+ 0 0 28 -4,-2.7 3,-1.6 1,-0.2 4,-0.2 0.906 99.7 61.0 -56.1 -39.6 11.3 15.8 32.6 51 52 A Y H >< S+ 0 0 31 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.727 86.5 77.0 -62.6 -21.4 10.0 12.2 32.0 52 53 A K T << S+ 0 0 141 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.761 85.6 60.3 -62.0 -20.5 7.2 12.9 34.4 53 57 A K T < S+ 0 0 112 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.615 80.1 110.0 -80.4 -11.0 5.2 14.9 31.9 54 58 A L < + 0 0 23 -3,-1.5 2,-0.4 -4,-0.2 27,-0.1 -0.484 41.4 177.3 -74.7 132.4 4.9 12.0 29.4 55 59 A T + 0 0 125 -2,-0.3 26,-0.1 1,-0.1 3,-0.1 -0.989 66.2 13.4-130.3 125.3 1.5 10.5 29.0 56 60 A G S S+ 0 0 83 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.479 109.7 75.7 96.2 -7.8 0.9 7.6 26.5 57 61 A f - 0 0 20 24,-0.1 -1,-0.2 5,-0.0 -3,-0.0 -0.973 69.4-130.4-137.4 157.0 4.5 6.7 25.7 58 67 A D > - 0 0 60 -2,-0.3 4,-2.2 1,-0.1 3,-0.1 -0.950 8.0-152.1-113.2 117.4 7.2 4.8 27.5 59 68 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.638 91.9 46.7 -64.3 -21.5 10.6 6.3 27.7 60 69 A K T 4 S+ 0 0 79 -59,-0.2 -58,-2.2 -58,-0.1 -57,-0.3 0.902 124.5 22.8 -88.6 -40.6 12.5 3.1 27.9 61 70 A K T 4 S+ 0 0 157 -60,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.720 93.0 96.3 -96.8 -31.3 11.0 1.1 25.0 62 71 A D < - 0 0 57 -4,-2.2 2,-0.1 1,-0.1 -5,-0.0 -0.571 60.3-144.7 -77.6 125.8 9.4 3.4 22.6 63 72 A R + 0 0 143 -2,-0.4 2,-0.3 -60,-0.1 -5,-0.1 -0.340 20.7 178.8 -78.3 158.5 11.4 4.4 19.5 64 73 A Y - 0 0 13 -63,-0.1 2,-0.5 -2,-0.1 13,-0.1 -0.975 27.0-101.9-152.3 166.7 11.2 7.8 18.0 65 74 A S + 0 0 79 -2,-0.3 11,-2.9 11,-0.1 2,-0.3 -0.811 43.9 144.7 -99.7 136.3 12.7 9.7 15.1 66 75 A Y E -B 75 0B 39 -2,-0.5 2,-0.3 9,-0.3 9,-0.2 -0.950 24.7-152.3-153.8 164.6 15.4 12.3 15.3 67 76 A S E -B 74 0B 40 7,-2.2 7,-2.8 -2,-0.3 2,-0.6 -0.920 20.0-120.4-137.4 165.3 18.4 13.3 13.1 68 77 A W E +B 73 0B 99 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.949 38.8 169.8-108.7 116.4 21.8 14.8 13.4 69 78 A K E > -B 72 0B 116 3,-2.3 3,-0.7 -2,-0.6 -2,-0.0 -1.000 69.4 -9.0-132.5 128.4 22.0 18.0 11.3 70 79 A D T 3 S- 0 0 155 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.906 128.7 -59.8 47.4 48.6 24.8 20.6 11.5 71 80 A K T 3 S+ 0 0 167 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.856 115.6 115.2 44.9 44.8 26.1 18.5 14.6 72 81 A T E < S-B 69 0B 57 -3,-0.7 -3,-2.3 2,-0.0 2,-0.5 -0.996 71.6-117.3-137.6 141.9 22.9 19.2 16.4 73 82 A I E -B 68 0B 0 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.698 30.9-168.7 -80.5 128.0 20.2 16.7 17.5 74 83 A V E -B 67 0B 52 -7,-2.8 -7,-2.2 -2,-0.5 2,-0.2 -0.953 13.4-142.7-123.1 110.1 16.9 17.6 15.7 75 84 A g E -B 66 0B 12 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.1 -0.495 18.8-136.5 -71.3 143.9 13.8 15.8 17.1 76 85 A G - 0 0 25 -11,-2.9 3,-0.1 -2,-0.2 10,-0.1 -0.416 32.0 -90.8 -90.9 178.7 11.4 14.8 14.2 77 86 A E + 0 0 154 1,-0.1 6,-0.2 -2,-0.1 -1,-0.1 0.828 64.8 151.5 -56.7 -46.8 7.7 15.3 14.5 78 87 A N - 0 0 52 4,-0.1 -1,-0.1 5,-0.1 -14,-0.0 -0.222 62.2 -59.1 53.1-130.2 6.8 12.0 16.0 79 88 A N > - 0 0 77 -3,-0.1 4,-2.6 0, 0.0 5,-0.3 -0.817 60.7 -85.7-134.6 167.6 3.6 12.5 18.1 80 90 A P H > S+ 0 0 111 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.884 126.2 39.7 -49.4 -47.7 3.1 14.8 21.1 81 91 A f H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 118.1 48.0 -66.3 -44.8 4.5 12.3 23.8 82 92 A L H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.852 110.2 52.3 -67.6 -32.5 7.3 11.1 21.6 83 93 A K H X S+ 0 0 61 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.940 111.8 45.6 -67.6 -45.0 8.3 14.6 20.7 84 94 A E H X S+ 0 0 74 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.917 113.8 51.1 -58.5 -43.8 8.4 15.6 24.5 85 95 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.942 110.2 48.7 -57.8 -52.2 10.4 12.3 25.1 86 96 A g H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.893 112.2 48.3 -58.0 -40.3 12.8 13.2 22.3 87 97 A E H X S+ 0 0 68 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.869 109.5 52.4 -72.5 -30.3 13.3 16.7 23.7 88 98 A e H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.941 113.7 45.0 -66.6 -42.4 13.9 15.4 27.3 89 99 A D H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.901 111.5 51.4 -67.2 -42.6 16.6 13.1 25.9 90 100 A K H X S+ 0 0 45 -4,-2.6 4,-2.2 -5,-0.2 5,-0.3 0.950 109.0 51.9 -60.6 -43.1 18.2 15.7 23.7 91 101 A A H X S+ 0 0 57 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.920 109.4 48.4 -63.8 -36.9 18.5 18.1 26.7 92 102 A V H X S+ 0 0 7 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.925 109.8 52.3 -72.6 -32.9 20.2 15.6 28.9 93 103 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.937 112.7 44.8 -63.7 -44.1 22.7 14.7 26.2 94 104 A I H X S+ 0 0 40 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.939 113.6 50.7 -61.1 -45.6 23.6 18.3 25.8 95 105 A c H X S+ 0 0 33 -4,-2.8 4,-1.5 -5,-0.3 -2,-0.2 0.924 108.5 51.6 -63.4 -39.5 23.7 18.9 29.6 96 106 A L H < S+ 0 0 2 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.930 111.2 48.2 -64.8 -42.0 26.0 15.9 30.1 97 107 A R H >< S+ 0 0 99 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.935 108.6 54.2 -62.7 -39.1 28.3 17.2 27.4 98 108 A E H 3< S+ 0 0 123 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.777 113.8 42.8 -64.2 -21.9 28.3 20.7 29.0 99 109 A N T >< S+ 0 0 43 -4,-1.5 3,-1.7 -3,-0.4 4,-0.4 0.192 74.3 108.9-110.5 13.2 29.4 19.3 32.3 100 110 A L G X + 0 0 56 -3,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.816 68.4 73.4 -58.1 -27.4 32.0 16.8 31.1 101 111 A G G 3 S+ 0 0 82 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.678 107.0 33.6 -61.3 -24.0 34.6 19.3 32.8 102 112 A T G < S+ 0 0 85 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.327 83.6 136.0-111.4 5.7 33.5 18.1 36.2 103 113 A Y < - 0 0 32 -3,-1.3 2,-0.5 -4,-0.4 3,-0.1 -0.328 38.7-159.1 -51.9 134.0 32.7 14.5 35.4 104 114 A N > - 0 0 54 1,-0.1 3,-3.0 4,-0.0 4,-0.3 -0.925 17.6-155.6-125.9 107.8 34.2 12.3 38.2 105 115 A K G > S+ 0 0 142 -2,-0.5 3,-2.0 1,-0.3 4,-0.3 0.788 91.0 74.0 -51.5 -24.4 34.9 8.5 37.6 106 116 A K G 3 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.709 94.5 52.1 -65.4 -13.4 34.6 8.0 41.3 107 117 A Y G X S+ 0 0 40 -3,-3.0 -82,-2.4 1,-0.2 3,-2.2 0.520 80.2 104.7 -96.2 -1.6 30.8 8.4 41.0 108 118 A R T < S+ 0 0 18 -3,-2.0 -85,-0.2 -4,-0.3 -1,-0.2 0.793 98.0 14.2 -50.8 -46.3 30.5 5.9 38.2 109 119 A Y T 3 S+ 0 0 154 -4,-0.3 -1,-0.3 -3,-0.2 -85,-0.2 -0.380 91.6 176.1-122.3 47.5 29.0 3.0 40.2 110 120 A H < - 0 0 43 -3,-2.2 2,-1.1 -87,-0.6 -3,-0.1 -0.154 43.7 -99.6 -51.5 150.3 28.1 5.3 43.1 111 121 A L > - 0 0 97 1,-0.2 3,-1.5 2,-0.1 4,-0.3 -0.662 35.7-168.3 -80.6 103.9 26.2 3.3 45.8 112 122 A K G > S+ 0 0 65 -2,-1.1 3,-1.7 1,-0.3 -1,-0.2 0.793 80.4 71.3 -65.8 -28.0 22.6 4.2 45.1 113 123 A P G 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.845 99.3 49.3 -57.5 -28.8 21.5 2.7 48.4 114 125 A F G < S+ 0 0 150 -3,-1.5 -2,-0.2 2,-0.0 -88,-0.1 0.501 82.6 119.1 -89.1 -2.1 23.2 5.6 50.2 115 126 A a S < S- 0 0 25 -3,-1.7 2,-0.2 -4,-0.3 3,-0.1 -0.331 70.4-111.3 -63.5 143.3 21.7 8.5 48.1 116 127 A K - 0 0 141 -81,-0.3 -81,-2.4 1,-0.1 -1,-0.1 -0.505 45.7 -92.5 -72.8 145.2 19.5 11.1 50.0 117 129 A K B -A 34 0A 183 -83,-0.2 -83,-0.2 -2,-0.2 2,-0.2 -0.245 47.8-110.5 -59.8 137.3 15.9 10.9 49.1 118 130 A A - 0 0 16 -85,-0.6 -1,-0.1 -84,-0.1 3,-0.1 -0.469 23.6-123.1 -74.5 143.2 15.0 13.3 46.2 119 131 A D - 0 0 116 -2,-0.2 -1,-0.1 1,-0.2 -86,-0.1 -0.334 47.1 -79.2 -69.6 166.0 12.8 16.3 46.7 120 132 A P 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -71,-0.0 -0.317 360.0 360.0 -66.9 150.4 9.7 16.5 44.6 121 133 A d 0 0 110 -3,-0.1 -75,-0.0 -73,-0.1 -76,-0.0 -0.412 360.0 360.0 -65.6 360.0 10.3 17.8 41.0