==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-04 1TK4 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 VRV-PL-VIIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII PULCHELLA; . AUTHOR N.SINGH,S.BILGRAMI,R.K.SOMVANSHI,S.SHARMA,S.DEY,M.PERBANDT, . 125 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 59.2 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 5.6 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 . 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 . 4 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 36.0 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+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 1 0 0 0 0 0 0 0 1 0 1 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 10 0, 0.0 4,-2.7 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 161.2 12.6 15.4 -4.7 2 2 A L H > + 0 0 21 58,-2.6 4,-2.3 1,-0.2 5,-0.1 0.888 360.0 51.0 -58.6 -41.2 9.3 17.2 -5.3 3 3 A L H > S+ 0 0 104 57,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.907 110.7 48.7 -65.1 -40.7 7.2 14.1 -4.5 4 4 A E H > S+ 0 0 37 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.903 110.2 51.5 -63.7 -43.0 9.2 13.7 -1.2 5 5 A F H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.922 108.3 52.7 -59.0 -43.1 8.6 17.4 -0.4 6 6 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 11,-0.4 0.885 109.3 47.8 -62.0 -38.7 4.9 16.9 -1.0 7 7 A K H X S+ 0 0 115 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.916 111.1 51.4 -68.3 -41.1 4.7 14.0 1.4 8 8 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.908 109.8 50.2 -59.3 -43.1 6.6 16.0 4.0 9 9 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 6,-0.5 0.922 111.4 47.6 -60.4 -47.0 4.1 18.9 3.5 10 10 A L H X S+ 0 0 71 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.931 112.4 49.8 -62.9 -44.7 1.2 16.5 4.0 11 11 A E H < S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.893 117.3 41.0 -56.8 -43.6 2.7 15.0 7.1 12 12 A E H < S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.922 131.5 18.1 -73.9 -44.2 3.4 18.3 8.6 13 13 A T H < S- 0 0 20 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.627 86.2-124.3-108.9 -21.1 0.2 20.2 7.7 14 14 A G S < S+ 0 0 63 -4,-2.4 2,-0.4 -5,-0.4 -4,-0.2 0.425 77.3 115.5 80.9 -4.6 -2.5 17.7 6.8 15 16 A K S S- 0 0 60 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.3 -0.836 72.7-116.9 -96.2 141.4 -2.9 19.6 3.4 16 17 A L > - 0 0 92 -2,-0.4 4,-2.0 1,-0.1 5,-0.4 -0.586 18.5-134.1 -69.2 131.7 -2.1 18.0 0.1 17 18 A A H >>S+ 0 0 0 -11,-0.4 4,-2.7 -2,-0.3 5,-0.6 0.900 90.4 73.8 -58.0 -44.6 0.8 19.8 -1.6 18 19 A I H 45S+ 0 0 56 1,-0.2 -1,-0.2 3,-0.2 107,-0.1 -0.976 113.7 6.2-100.1 117.1 -1.3 19.7 -4.8 19 20 A P H 45S+ 0 0 65 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 -0.949 129.2 54.9-104.3 5.4 -3.6 21.7 -4.7 20 21 A S H <5S+ 0 0 17 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.791 127.0 12.3 -72.2 -29.9 -2.9 23.6 -1.4 21 22 A Y T <5S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.4 -3,-0.2 0.237 105.8 84.1-130.3 8.8 0.7 24.7 -2.0 22 23 A S S -A 108 0A 0 4,-0.5 4,-1.8 84,-0.2 3,-0.4 -0.665 65.2 -42.7 -94.4 128.0 -0.4 29.6 -3.9 25 26 A G T 4 S- 0 0 9 82,-2.5 85,-0.1 -2,-0.4 90,-0.1 -0.154 99.6 -44.8 59.8-148.8 0.4 33.2 -4.1 26 27 A a T 4 S+ 0 0 11 9,-0.1 6,-0.7 1,-0.1 7,-0.4 0.665 134.3 29.9 -92.7 -19.5 3.4 34.5 -6.0 27 28 A Y T > S+ 0 0 6 -3,-0.4 4,-0.9 4,-0.2 2,-0.8 0.562 86.7 100.1-123.5 -13.5 6.0 32.0 -4.9 28 29 A b T < S- 0 0 4 -4,-1.8 -4,-0.5 1,-0.2 98,-0.1 -0.712 103.6 -13.8 -87.5 110.4 4.5 28.6 -4.1 29 30 A G T 4 S+ 0 0 31 -2,-0.8 -1,-0.2 -6,-0.2 -7,-0.1 0.057 146.7 30.4 97.3 -24.1 4.8 26.2 -7.0 30 31 A W T 4 S+ 0 0 237 -6,-0.2 -2,-0.2 -4,-0.0 -8,-0.0 -0.083 84.2 173.7-155.6 44.2 5.9 28.6 -9.7 31 32 A G < + 0 0 33 -4,-0.9 -4,-0.2 1,-0.2 3,-0.1 -0.110 24.4 114.2 -67.6 150.8 7.8 31.3 -8.0 32 33 A G + 0 0 56 -6,-0.7 87,-0.3 1,-0.4 2,-0.3 0.188 67.2 19.2-172.2 -48.5 9.7 34.2 -9.6 33 34 A K S S+ 0 0 102 -7,-0.4 -1,-0.4 85,-0.1 85,-0.2 -0.894 75.1 55.5-141.3 164.6 8.3 37.8 -9.0 34 35 A G S S- 0 0 2 83,-3.2 83,-0.1 -2,-0.3 81,-0.1 -0.157 81.3 -64.8 104.4 165.2 6.1 39.9 -6.8 35 36 A T - 0 0 103 81,-0.2 -9,-0.1 -2,-0.1 81,-0.1 -0.822 64.3-105.9 -84.0 123.5 5.7 40.8 -3.1 36 37 A P - 0 0 15 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.219 25.4-135.2 -52.0 141.2 4.8 37.5 -1.3 37 38 A K - 0 0 70 1,-0.1 2,-0.3 70,-0.1 -12,-0.1 0.765 69.6 -23.4 -75.8 -27.3 1.1 37.7 -0.4 38 39 A D S > S- 0 0 20 1,-0.0 4,-2.1 66,-0.0 5,-0.1 -0.902 84.0 -67.7-167.4-173.6 1.3 36.4 3.2 39 40 A A H > S+ 0 0 13 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.881 127.6 53.0 -65.9 -38.7 3.5 34.4 5.6 40 41 A T H > S+ 0 0 0 59,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.929 109.6 49.0 -59.7 -45.8 2.8 31.1 3.7 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.882 106.7 56.6 -62.9 -35.4 3.9 32.7 0.5 42 43 A R H X S+ 0 0 135 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.870 100.2 58.6 -64.8 -33.2 7.0 34.0 2.2 43 44 A c H X S+ 0 0 4 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.929 109.3 45.0 -55.9 -44.5 7.8 30.3 3.2 44 45 A b H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.878 109.5 54.4 -67.6 -39.0 7.8 29.6 -0.6 45 46 A F H X S+ 0 0 23 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.943 112.6 43.4 -57.0 -51.6 9.9 32.7 -1.3 46 47 A V H X S+ 0 0 93 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.895 112.3 53.2 -63.3 -39.7 12.5 31.6 1.1 47 48 A H H X S+ 0 0 15 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.906 108.3 50.5 -62.4 -41.3 12.3 28.0 -0.1 48 49 A D H X S+ 0 0 55 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.932 111.8 47.6 -61.5 -44.7 12.9 29.2 -3.7 49 50 A d H X S+ 0 0 16 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.881 108.9 55.2 -59.4 -40.9 15.9 31.2 -2.5 50 51 A e H >< S+ 0 0 29 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.938 110.7 43.4 -62.9 -45.9 17.1 28.1 -0.6 51 52 A Y H >< S+ 0 0 44 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.873 108.5 60.2 -63.9 -35.9 17.0 26.0 -3.8 52 53 A G H 3< S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.737 93.2 65.1 -63.1 -25.3 18.6 29.0 -5.6 53 54 A N T << S+ 0 0 109 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.566 100.2 56.9 -64.9 -13.7 21.6 28.6 -3.2 54 55 A L X + 0 0 8 -3,-2.0 3,-2.1 -4,-0.2 -1,-0.2 -0.506 57.9 157.9-125.3 60.7 22.2 25.2 -4.9 55 56 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.702 78.3 49.9 -63.3 -22.8 22.6 25.9 -8.7 56 59 A D T 3 S+ 0 0 148 2,-0.0 2,-0.2 25,-0.0 25,-0.1 0.246 99.8 82.3-104.8 19.2 24.5 22.5 -9.2 57 61 A f S < S- 0 0 10 -3,-2.1 -3,-0.1 -6,-0.2 25,-0.0 -0.682 70.1-140.7-113.5 168.3 21.8 20.5 -7.4 58 67 A N >> + 0 0 105 -2,-0.2 4,-2.7 1,-0.1 3,-0.9 -0.693 22.8 173.4-131.6 74.7 18.5 19.1 -8.8 59 68 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.685 72.0 63.3 -65.6 -20.2 15.9 19.4 -6.1 60 69 A K T 34 S+ 0 0 160 -59,-0.2 -58,-2.6 1,-0.1 -57,-0.4 0.879 122.9 14.1 -67.8 -37.5 12.9 18.4 -8.2 61 70 A S T <4 S+ 0 0 85 -3,-0.9 2,-0.3 -60,-0.2 -1,-0.1 0.714 96.6 100.3-112.3 -28.6 14.3 14.9 -8.8 62 71 A D < - 0 0 39 -4,-2.7 2,-0.4 1,-0.1 -5,-0.0 -0.485 63.2-142.1 -73.0 128.4 17.1 14.1 -6.4 63 72 A R - 0 0 177 -2,-0.3 2,-0.3 -62,-0.1 19,-0.1 -0.721 18.0-173.7 -94.7 139.0 15.9 12.0 -3.5 64 73 A Y - 0 0 8 -2,-0.4 2,-0.4 -63,-0.1 13,-0.1 -0.808 19.1-125.8-120.1 164.7 17.0 12.4 0.1 65 74 A K + 0 0 157 11,-0.5 11,-2.6 -2,-0.3 2,-0.3 -0.897 30.7 166.5-110.6 142.8 16.3 10.3 3.3 66 75 A Y E -B 75 0B 39 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.971 14.0-159.7-146.4 162.1 14.9 11.7 6.5 67 76 A K E -B 74 0B 101 7,-2.2 7,-2.8 -2,-0.3 2,-0.4 -0.828 20.9-114.5-132.9 173.3 13.4 10.3 9.7 68 77 A R E -B 73 0B 85 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.942 15.7-169.0-111.8 130.8 11.2 11.6 12.5 69 78 A V E > S-B 72 0B 77 3,-2.5 3,-1.9 -2,-0.4 -2,-0.0 -0.922 82.4 -39.6-118.6 99.6 12.5 11.8 16.1 70 79 A N T 3 S- 0 0 172 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.923 126.1 -36.5 40.1 67.4 9.3 12.5 18.1 71 80 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 -0.087 115.2 117.3 84.1 -35.1 7.8 14.8 15.5 72 81 A A E < -B 69 0B 53 -3,-1.9 -3,-2.5 1,-0.1 2,-0.4 -0.445 64.3-129.2 -75.1 137.5 11.1 16.4 14.6 73 82 A I E -B 68 0B 5 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.714 24.0-171.5 -81.5 127.2 12.4 16.0 11.0 74 83 A V E -B 67 0B 52 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.3 -0.961 16.1-142.1-123.4 109.8 16.0 14.8 10.9 75 84 A g E -B 66 0B 23 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.3 -0.541 19.8-141.3 -67.8 129.8 17.7 14.8 7.5 76 85 A E - 0 0 77 -11,-2.6 -11,-0.5 -2,-0.3 2,-0.1 -0.682 30.3 -85.5 -97.2 153.5 19.9 11.7 7.1 77 86 A K + 0 0 189 -2,-0.3 2,-0.2 -13,-0.1 -1,-0.1 -0.316 64.6 135.7 -72.1 123.8 23.3 11.8 5.4 78 88 A G - 0 0 34 1,-0.4 -14,-0.1 -2,-0.1 2,-0.1 -0.394 64.9 -31.4-127.2-142.5 23.3 11.4 1.6 79 89 A T > - 0 0 69 -2,-0.2 4,-2.5 1,-0.1 -1,-0.4 -0.351 68.2-102.2 -72.0 166.4 25.3 13.4 -1.0 80 90 A S H > S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 124.7 49.6 -56.5 -46.4 26.0 17.0 -0.3 81 91 A f H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 109.8 50.8 -59.5 -45.9 23.2 18.1 -2.6 82 92 A E H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.913 109.9 49.8 -60.7 -41.9 20.7 15.7 -1.0 83 93 A N H X S+ 0 0 41 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.924 114.0 44.7 -61.5 -45.5 21.6 17.0 2.5 84 94 A R H X S+ 0 0 129 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.894 112.8 50.3 -70.9 -39.1 21.2 20.7 1.5 85 95 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.934 109.5 52.5 -61.1 -46.7 17.9 20.0 -0.4 86 96 A g H X S+ 0 0 1 -4,-2.5 4,-3.1 -5,-0.2 5,-0.2 0.924 107.5 51.4 -57.2 -43.8 16.5 18.2 2.6 87 97 A E H X S+ 0 0 97 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.889 109.8 50.0 -64.3 -36.8 17.3 21.1 4.9 88 98 A e H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.918 114.0 44.5 -62.2 -45.4 15.5 23.5 2.5 89 99 A D H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.915 111.1 53.3 -68.2 -45.3 12.5 21.3 2.4 90 100 A K H X S+ 0 0 53 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.918 109.5 49.3 -52.1 -49.4 12.4 20.7 6.1 91 101 A A H X S+ 0 0 56 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.921 111.6 48.4 -60.7 -44.4 12.5 24.4 6.7 92 102 A A H X S+ 0 0 4 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.902 110.5 50.5 -64.2 -41.9 9.6 25.1 4.3 93 103 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.922 113.0 46.1 -62.7 -43.9 7.5 22.3 5.8 94 104 A I H X S+ 0 0 72 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.920 112.0 52.3 -60.5 -44.6 8.0 23.7 9.3 95 105 A c H X S+ 0 0 31 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.915 107.9 50.5 -60.3 -43.5 7.3 27.2 8.0 96 106 A F H >< S+ 0 0 1 -4,-2.8 3,-0.6 1,-0.2 4,-0.4 0.930 111.5 48.9 -60.6 -43.9 4.0 26.0 6.4 97 107 A R H >< S+ 0 0 132 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.902 109.4 52.2 -59.7 -42.3 3.1 24.5 9.8 98 108 A Q H 3< S+ 0 0 145 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.704 115.6 41.7 -67.8 -20.0 3.9 27.7 11.6 99 109 A N T XX S+ 0 0 32 -4,-1.2 3,-1.8 -3,-0.6 4,-0.6 0.240 75.5 106.1-118.7 15.0 1.7 29.7 9.3 100 110 A L G X4 S+ 0 0 44 -3,-0.9 3,-0.8 -4,-0.4 -1,-0.1 0.815 71.7 71.7 -59.1 -31.1 -1.3 27.5 8.9 101 111 A N G 34 S+ 0 0 132 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.669 109.0 31.0 -61.5 -18.0 -3.1 30.0 11.2 102 112 A T G <4 S+ 0 0 66 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.329 83.0 132.8-122.0 6.6 -3.1 32.6 8.3 103 113 A Y << - 0 0 27 -3,-0.8 2,-0.4 -4,-0.6 3,-0.0 -0.354 39.6-162.0 -53.9 133.5 -3.3 30.3 5.2 104 114 A S > - 0 0 40 1,-0.1 3,-2.1 -2,-0.0 4,-0.2 -0.978 22.4-149.6-130.0 121.7 -6.0 31.7 2.9 105 115 A K G > S+ 0 0 156 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.730 92.1 77.2 -61.4 -21.2 -7.7 29.8 0.1 106 116 A K G 3 S+ 0 0 151 1,-0.3 -1,-0.3 -82,-0.0 -3,-0.0 0.704 88.8 58.7 -61.0 -20.8 -8.1 33.0 -1.8 107 117 A Y G X S+ 0 0 38 -3,-2.1 -82,-2.5 3,-0.1 3,-1.0 0.468 79.1 109.1 -90.1 -2.3 -4.4 32.7 -2.8 108 118 A M B < S+A 24 0A 54 -3,-1.9 -84,-0.2 1,-0.3 -88,-0.1 -0.546 90.8 10.2 -67.8 141.1 -4.9 29.3 -4.5 109 119 A L T 3 S- 0 0 139 -86,-0.6 -1,-0.3 -90,-0.2 -85,-0.2 0.857 91.4-171.4 55.8 40.3 -4.5 29.6 -8.3 110 120 A Y < - 0 0 45 -87,-1.6 -1,-0.2 -3,-1.0 2,-0.1 -0.397 25.3-111.3 -68.0 128.8 -3.3 33.2 -7.7 111 121 A P > - 0 0 62 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.398 14.2-131.4 -69.7 139.7 -3.0 35.0 -11.1 112 122 A D G > S+ 0 0 116 1,-0.3 3,-2.4 2,-0.2 -2,-0.1 0.821 99.5 67.2 -55.6 -37.5 0.5 35.8 -12.4 113 124 A F G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.739 93.6 60.5 -68.7 -16.3 -0.3 39.5 -13.3 114 125 A L G < S+ 0 0 63 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.369 92.7 75.7 -85.0 6.3 -0.8 40.3 -9.6 115 126 A a < + 0 0 9 -3,-2.4 2,-0.4 -81,-0.1 -81,-0.2 -0.896 64.8 153.5-120.4 96.9 2.9 39.3 -9.0 116 127 A K + 0 0 139 -2,-0.6 -81,-0.2 -83,-0.1 -3,-0.0 -0.967 29.5 35.7-130.4 144.9 5.2 42.0 -10.2 117 128 A G S S- 0 0 39 -2,-0.4 -83,-3.2 -83,-0.1 2,-0.2 0.266 75.7 -86.8 97.9 142.9 8.8 43.2 -9.3 118 129 A E - 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