==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-MAR-04 1SQZ . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII RUSSELLII; . AUTHOR N.SINGH,R.PREM KUMAR,R.K.SOMVANSHI,S.BILGRAMI,A.S.ETHAYATHUL . 125 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 57.6 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 . 5 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 35.2 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 9 0, 0.0 4,-2.4 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 158.1 12.6 15.5 -4.8 2 2 A L H > + 0 0 34 58,-2.6 4,-2.4 1,-0.2 5,-0.1 0.870 360.0 52.7 -52.6 -42.5 9.3 17.2 -5.4 3 3 A L H > S+ 0 0 135 57,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.894 110.4 47.8 -63.8 -38.8 7.3 14.1 -4.4 4 4 A E H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.886 110.2 51.4 -68.4 -39.6 9.2 13.9 -1.1 5 5 A F H X S+ 0 0 24 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.934 109.6 52.1 -61.6 -42.4 8.7 17.6 -0.4 6 6 A G H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 11,-0.4 0.877 109.0 48.2 -61.2 -41.6 5.0 17.0 -1.1 7 7 A K H X S+ 0 0 113 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.922 111.5 51.0 -67.1 -40.3 4.9 14.1 1.4 8 8 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 109.4 50.4 -61.4 -44.1 6.7 16.2 3.9 9 9 A I H X S+ 0 0 3 -4,-2.6 4,-3.0 2,-0.2 6,-0.5 0.925 111.6 47.8 -59.3 -47.5 4.1 19.0 3.4 10 10 A L H X S+ 0 0 73 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.936 111.2 50.9 -62.0 -45.5 1.2 16.6 3.9 11 11 A E H < S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.910 117.2 40.0 -58.2 -41.1 2.8 15.1 7.0 12 12 A E H < S+ 0 0 36 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.938 131.9 19.0 -76.0 -46.1 3.3 18.6 8.5 13 13 A T H < S- 0 0 19 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.650 86.1-126.0-104.8 -20.2 0.1 20.3 7.5 14 14 A G S < S+ 0 0 62 -4,-2.6 2,-0.4 -5,-0.4 -4,-0.2 0.443 76.3 115.5 82.8 -3.6 -2.5 17.8 6.6 15 16 A K S S- 0 0 65 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.3 -0.840 73.1-115.3 -98.4 143.4 -2.9 19.6 3.2 16 17 A L > - 0 0 101 -2,-0.4 4,-1.9 1,-0.1 5,-0.4 -0.591 18.6-133.8 -73.2 131.3 -2.0 18.0 -0.1 17 18 A A H >>S+ 0 0 21 -11,-0.4 4,-2.7 -2,-0.3 5,-0.7 0.893 90.3 75.0 -53.3 -43.7 0.9 19.8 -1.7 18 19 A I H 45S+ 0 0 120 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 -0.981 113.4 3.7-108.1 121.6 -1.2 19.7 -4.9 19 20 A P H 45S+ 0 0 66 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 -0.974 129.4 56.1 -99.9 5.4 -3.4 21.7 -4.9 20 21 A S H <5S+ 0 0 16 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.798 126.9 12.6 -66.9 -32.2 -2.9 23.5 -1.5 21 22 A Y T <5S+ 0 0 10 -4,-2.7 -1,-0.2 -5,-0.4 -3,-0.2 0.238 105.5 85.0-128.7 9.6 0.7 24.7 -2.1 22 23 A S S -A 108 0A 0 4,-0.3 4,-1.9 84,-0.2 3,-0.4 -0.644 64.9 -42.8 -91.2 129.3 -0.3 29.5 -4.0 25 26 A G T 4 S- 0 0 9 82,-2.4 85,-0.1 -2,-0.4 90,-0.1 -0.124 100.1 -43.9 58.3-148.2 0.5 33.2 -4.1 26 27 A a T 4 S+ 0 0 5 9,-0.1 7,-0.5 1,-0.1 -1,-0.2 0.703 134.3 28.7 -91.2 -22.9 3.4 34.5 -6.1 27 28 A Y T 4 S+ 0 0 6 -3,-0.4 2,-0.8 5,-0.1 3,-0.2 0.590 84.5 102.9-118.7 -14.0 6.1 31.9 -5.1 28 29 A b S < S- 0 0 2 -4,-1.9 -4,-0.3 1,-0.2 98,-0.1 -0.663 100.8 -15.1 -81.5 112.3 4.5 28.6 -4.2 29 30 A G S S+ 0 0 14 -2,-0.8 97,-0.2 96,-0.2 -1,-0.2 0.913 139.6 10.9 59.8 101.3 5.1 26.2 -7.2 30 31 A W S S+ 0 0 192 95,-0.3 2,-0.2 -3,-0.2 -2,-0.1 0.943 91.5 117.6 67.9 95.4 6.1 28.2 -10.2 31 32 A G + 0 0 29 -4,-0.2 -1,-0.2 13,-0.1 -2,-0.1 -0.701 22.9 162.5 173.3 134.5 6.9 31.8 -9.3 32 33 A G + 0 0 64 -2,-0.2 2,-0.3 83,-0.1 87,-0.2 0.264 63.9 53.2-144.4 9.6 9.8 34.3 -9.4 33 34 A K S S+ 0 0 103 -7,-0.5 85,-0.2 85,-0.1 83,-0.1 -0.951 70.2 49.1-143.9 163.9 8.4 37.8 -9.0 34 35 A G S S- 0 0 1 83,-4.2 85,-0.2 -2,-0.3 83,-0.2 -0.096 83.7 -62.8 99.5 168.4 6.2 39.9 -6.9 35 36 A T - 0 0 103 81,-0.3 -9,-0.1 1,-0.1 81,-0.1 -0.799 63.8-106.1 -88.1 122.6 5.7 40.7 -3.2 36 37 A P - 0 0 13 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.190 25.4-133.9 -50.0 139.8 4.8 37.5 -1.4 37 38 A K S S- 0 0 69 70,-0.1 2,-0.3 1,-0.1 -12,-0.1 0.767 70.1 -25.4 -71.0 -30.3 1.1 37.6 -0.5 38 39 A D S > S- 0 0 20 1,-0.0 4,-2.1 66,-0.0 5,-0.2 -0.901 84.6 -66.1-165.1-173.1 1.4 36.4 3.1 39 40 A A H > S+ 0 0 14 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.877 128.2 53.4 -61.6 -39.4 3.5 34.3 5.5 40 41 A T H > S+ 0 0 0 59,-0.2 4,-1.4 1,-0.2 3,-0.3 0.931 109.4 48.5 -61.7 -46.4 2.8 31.1 3.6 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 106.7 57.0 -62.7 -33.9 3.9 32.6 0.3 42 43 A R H X S+ 0 0 136 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.866 99.7 59.4 -65.4 -31.6 7.1 33.9 2.1 43 44 A c H X S+ 0 0 4 -4,-1.7 4,-2.3 -3,-0.3 -1,-0.2 0.934 109.1 44.2 -58.8 -44.4 7.8 30.3 3.0 44 45 A b H X S+ 0 0 6 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.848 109.5 55.3 -68.3 -36.6 7.9 29.6 -0.7 45 46 A F H X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.952 112.6 42.6 -58.2 -51.2 9.9 32.7 -1.5 46 47 A V H X S+ 0 0 92 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.904 113.3 52.8 -63.3 -39.5 12.6 31.6 1.0 47 48 A H H X S+ 0 0 7 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.914 108.5 50.0 -63.4 -40.9 12.3 28.0 -0.3 48 49 A D H X S+ 0 0 28 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.916 112.2 47.7 -63.3 -41.4 12.8 29.2 -3.9 49 50 A d H X S+ 0 0 16 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.888 108.8 55.3 -62.9 -40.5 15.9 31.2 -2.7 50 51 A e H >< S+ 0 0 30 -4,-2.6 3,-0.8 1,-0.2 4,-0.2 0.936 110.1 44.1 -61.5 -45.2 17.1 28.1 -0.8 51 52 A Y H >< S+ 0 0 14 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.877 108.1 60.6 -65.4 -35.3 17.0 26.1 -4.0 52 53 A G H 3< S+ 0 0 54 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.736 93.1 64.7 -63.3 -23.2 18.6 29.0 -5.8 53 54 A N T << S+ 0 0 105 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.599 99.6 57.6 -72.3 -13.3 21.6 28.6 -3.4 54 55 A L X + 0 0 8 -3,-2.0 3,-2.1 -4,-0.2 -1,-0.2 -0.501 57.1 157.2-120.2 64.7 22.1 25.2 -5.1 55 56 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.702 78.9 49.3 -62.8 -24.8 22.6 25.9 -8.9 56 59 A D T 3 S+ 0 0 147 -3,-0.1 2,-0.2 2,-0.0 25,-0.1 0.242 100.6 80.9-103.1 16.7 24.5 22.6 -9.3 57 61 A f S < S- 0 0 9 -3,-2.1 -3,-0.1 -6,-0.2 25,-0.0 -0.679 72.1-139.0-111.6 168.1 21.9 20.5 -7.5 58 67 A N >> + 0 0 106 -2,-0.2 4,-2.7 1,-0.1 3,-1.2 -0.665 24.5 174.5-129.6 73.1 18.6 19.2 -8.9 59 68 A P T 34 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.728 73.0 59.8 -56.1 -28.8 16.1 19.7 -6.1 60 69 A K T 34 S+ 0 0 43 -59,-0.2 -58,-2.6 1,-0.1 -57,-0.4 0.846 122.9 16.6 -72.9 -28.8 13.0 18.6 -8.1 61 70 A S T <4 S+ 0 0 86 -3,-1.2 2,-0.2 -60,-0.2 -1,-0.1 0.703 95.5 98.9-116.2 -26.6 14.3 15.1 -8.9 62 71 A D < - 0 0 38 -4,-2.7 2,-0.3 1,-0.1 -5,-0.0 -0.484 65.2-139.4 -71.9 130.4 17.2 14.2 -6.5 63 72 A R - 0 0 173 -2,-0.2 2,-0.3 -62,-0.1 19,-0.1 -0.717 20.1-175.4 -96.1 140.9 15.9 12.1 -3.6 64 73 A Y - 0 0 8 -2,-0.3 2,-0.4 -63,-0.1 13,-0.1 -0.825 19.4-126.0-124.9 166.9 17.0 12.4 -0.0 65 74 A K + 0 0 154 11,-0.4 11,-2.4 -2,-0.3 2,-0.3 -0.902 29.0 169.2-115.6 143.5 16.2 10.4 3.1 66 75 A Y E -B 75 0B 32 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.976 12.3-161.3-148.2 158.4 14.8 11.8 6.4 67 76 A K E -B 74 0B 103 7,-2.2 7,-2.9 -2,-0.3 2,-0.5 -0.792 21.7-114.3-132.2 174.8 13.4 10.4 9.6 68 77 A R E -B 73 0B 82 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.966 14.7-166.9-115.7 126.1 11.3 11.6 12.4 69 78 A V E > S-B 72 0B 80 3,-2.6 3,-1.2 -2,-0.5 4,-0.0 -0.840 83.1 -40.9-112.9 86.5 12.7 11.9 16.0 70 79 A N T 3 S- 0 0 175 -2,-0.7 2,-0.5 1,-0.3 -1,-0.1 0.970 125.3 -35.6 55.1 63.5 9.5 12.4 17.9 71 80 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 -0.171 115.2 113.1 88.9 -41.4 7.8 14.8 15.5 72 81 A A E < -B 69 0B 55 -3,-1.2 -3,-2.6 -2,-0.5 2,-0.4 -0.441 67.4-125.5 -72.9 134.3 11.1 16.5 14.4 73 82 A I E -B 68 0B 6 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.635 25.0-169.8 -78.6 130.8 12.4 16.1 10.9 74 83 A V E -B 67 0B 50 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.4 -0.962 15.9-141.1-124.8 109.5 16.0 14.8 10.7 75 84 A g E -B 66 0B 23 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.2 -0.570 20.6-140.1 -70.3 123.9 17.6 14.9 7.3 76 85 A E - 0 0 80 -11,-2.4 -11,-0.4 -2,-0.4 2,-0.3 -0.504 30.3 -86.9 -85.5 155.8 19.8 11.7 7.0 77 86 A K + 0 0 196 -2,-0.2 2,-0.2 -13,-0.1 -1,-0.1 -0.469 64.7 136.6 -71.9 121.1 23.2 11.9 5.3 78 88 A G - 0 0 34 1,-0.5 -14,-0.1 -2,-0.3 -1,-0.0 -0.363 64.6 -31.8-126.6-141.0 23.3 11.5 1.5 79 89 A T > - 0 0 68 -2,-0.2 4,-2.5 1,-0.1 -1,-0.5 -0.301 68.0-103.2 -73.6 167.1 25.2 13.4 -1.1 80 90 A S H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.907 124.5 50.2 -60.1 -41.5 26.0 17.1 -0.3 81 91 A f H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.925 110.0 50.3 -61.5 -45.4 23.3 18.2 -2.7 82 92 A E H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.912 110.0 50.1 -60.8 -42.5 20.8 15.8 -1.1 83 93 A N H X S+ 0 0 47 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.924 113.9 44.6 -61.8 -44.0 21.6 17.1 2.4 84 94 A R H X S+ 0 0 127 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.876 112.9 50.2 -71.0 -38.0 21.2 20.7 1.3 85 95 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.931 110.0 51.9 -63.2 -46.8 18.0 20.1 -0.6 86 96 A g H X S+ 0 0 1 -4,-2.6 4,-3.1 -5,-0.3 5,-0.2 0.930 107.5 51.8 -57.7 -43.5 16.5 18.2 2.4 87 97 A E H X S+ 0 0 99 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.887 109.7 50.0 -61.9 -37.6 17.3 21.2 4.7 88 98 A e H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.912 114.0 44.6 -62.6 -47.3 15.5 23.5 2.3 89 99 A D H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.916 111.2 52.9 -65.8 -44.7 12.5 21.3 2.2 90 100 A K H X S+ 0 0 52 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.913 109.7 49.5 -56.3 -46.7 12.4 20.7 5.9 91 101 A A H X S+ 0 0 56 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.921 111.9 47.8 -61.7 -43.7 12.5 24.5 6.6 92 102 A A H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.902 110.9 50.4 -65.1 -42.5 9.7 25.1 4.1 93 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.916 113.1 46.1 -62.0 -43.1 7.5 22.3 5.6 94 104 A I H X S+ 0 0 71 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.900 111.7 52.9 -64.0 -41.8 8.0 23.7 9.1 95 105 A c H X S+ 0 0 31 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.910 107.4 50.8 -62.2 -42.8 7.3 27.2 7.8 96 106 A F H < S+ 0 0 2 -4,-2.6 3,-0.5 1,-0.2 4,-0.3 0.920 111.6 48.4 -61.1 -42.4 4.0 26.0 6.3 97 107 A R H >< S+ 0 0 131 -4,-2.1 3,-1.1 1,-0.2 4,-0.3 0.908 109.1 52.7 -61.9 -43.0 3.1 24.5 9.6 98 108 A Q H 3< S+ 0 0 148 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.712 117.2 39.0 -65.7 -22.4 4.0 27.7 11.5 99 109 A N T >X S+ 0 0 31 -4,-1.2 3,-2.0 -3,-0.5 4,-0.7 0.211 76.1 109.0-116.8 14.3 1.8 29.7 9.2 100 110 A L G X4 S+ 0 0 43 -3,-1.1 3,-0.7 -4,-0.3 -1,-0.1 0.806 72.6 69.4 -57.5 -28.9 -1.2 27.4 8.7 101 111 A N G 34 S+ 0 0 131 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.632 107.5 34.1 -65.1 -19.9 -3.1 29.9 10.9 102 112 A T G <4 S+ 0 0 59 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.354 83.6 131.7-115.3 -0.2 -3.0 32.5 8.2 103 113 A Y << - 0 0 29 -4,-0.7 2,-0.4 -3,-0.7 -3,-0.0 -0.323 40.0-162.7 -53.8 132.9 -3.2 30.2 5.1 104 114 A S > - 0 0 42 1,-0.1 3,-2.2 0, 0.0 4,-0.2 -0.977 22.7-150.0-128.3 120.8 -5.9 31.6 2.8 105 115 A K G > S+ 0 0 169 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.714 92.0 77.6 -60.1 -17.1 -7.6 29.6 0.0 106 116 A K G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -82,-0.0 -3,-0.0 0.676 88.3 58.7 -67.5 -15.6 -8.0 32.9 -1.9 107 117 A Y G X S+ 0 0 36 -3,-2.2 -82,-2.4 3,-0.1 3,-1.1 0.444 78.8 109.3 -93.1 -0.8 -4.3 32.7 -2.9 108 118 A M B < S+A 24 0A 55 -3,-1.7 -84,-0.2 1,-0.3 -88,-0.1 -0.555 90.2 10.6 -73.0 140.5 -4.7 29.3 -4.6 109 119 A L T 3 S- 0 0 140 -86,-0.7 -1,-0.3 -2,-0.2 -85,-0.2 0.846 91.3-170.6 59.5 36.9 -4.4 29.6 -8.4 110 120 A Y < - 0 0 43 -87,-1.6 -1,-0.2 -3,-1.1 2,-0.1 -0.371 25.9-109.5 -64.0 127.9 -3.2 33.2 -7.8 111 121 A P > - 0 0 61 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.387 16.6-133.5 -63.4 133.7 -2.9 35.0 -11.2 112 122 A D G > S+ 0 0 99 1,-0.3 3,-2.4 2,-0.2 -2,-0.1 0.824 99.7 65.3 -53.9 -37.3 0.6 35.8 -12.5 113 124 A F G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.710 92.8 62.7 -70.6 -12.9 -0.1 39.4 -13.4 114 125 A L G < S+ 0 0 76 -3,-1.7 2,-0.6 1,-0.1 -1,-0.3 0.332 91.2 77.8 -86.6 7.5 -0.7 40.2 -9.7 115 126 A a < + 0 0 8 -3,-2.4 2,-0.3 -81,-0.1 -81,-0.2 -0.877 62.3 151.8-120.8 97.4 2.9 39.3 -9.1 116 127 A K + 0 0 164 -2,-0.6 -81,-0.3 -83,-0.1 -90,-0.0 -0.950 30.9 44.0-130.1 147.2 5.3 42.0 -10.2 117 128 A G S S- 0 0 49 -2,-0.3 -83,-4.2 -83,-0.2 2,-0.5 0.260 73.5 -99.8 97.4 138.5 8.7 43.2 -9.1 118 129 A E - 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