==== 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 28-MAY-04 1TG4 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII RUSSELLII; . AUTHOR N.SINGH,R.K.SOMVANSHI,S.SHARMA,S.DEY,M.PERBANDT,C.BETZEL, . 126 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 62.7 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 . 9 7.1 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 0.8 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 . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 36.5 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 . 2 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 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 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,-2.5 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 156.1 41.2 38.5 4.8 2 2 A L H > + 0 0 23 58,-2.6 4,-2.3 2,-0.2 59,-0.1 0.875 360.0 46.6 -48.8 -46.7 42.8 35.1 5.5 3 3 A L H > S+ 0 0 80 57,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.898 113.2 49.6 -66.8 -42.0 39.8 33.0 4.6 4 4 A E H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 110.7 49.6 -60.2 -46.1 39.3 35.1 1.4 5 5 A F H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.908 108.1 55.9 -61.8 -41.0 43.0 34.6 0.5 6 6 A G H X S+ 0 0 13 -4,-2.3 4,-2.2 -5,-0.2 11,-0.4 0.895 107.6 46.4 -60.1 -41.7 42.6 31.0 1.1 7 7 A K H X S+ 0 0 116 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.881 110.0 53.9 -68.6 -36.5 39.7 30.6 -1.3 8 8 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.926 109.2 49.7 -61.2 -43.2 41.7 32.7 -3.9 9 9 A I H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 6,-0.5 0.926 112.4 46.4 -59.9 -48.1 44.6 30.2 -3.5 10 10 A L H X S+ 0 0 69 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.937 112.8 48.8 -62.2 -47.6 42.3 27.2 -3.9 11 11 A E H < S+ 0 0 107 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.864 118.2 42.6 -59.1 -36.4 40.6 28.7 -7.0 12 12 A E H < S+ 0 0 39 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 130.8 17.7 -76.7 -46.0 44.0 29.5 -8.5 13 13 A T H < S- 0 0 19 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.2 0.648 87.9-123.9-107.5 -21.4 46.0 26.3 -7.7 14 14 A G S < S+ 0 0 63 -4,-2.5 2,-0.4 -5,-0.4 -4,-0.2 0.425 78.1 113.8 80.7 3.4 43.5 23.6 -6.9 15 16 A K S S- 0 0 57 -6,-0.5 2,-0.4 -5,-0.1 -1,-0.3 -0.841 73.8-116.4-101.4 141.8 45.4 23.1 -3.5 16 17 A L > - 0 0 104 -2,-0.4 4,-1.8 1,-0.1 5,-0.4 -0.627 19.6-134.9 -72.6 135.6 43.8 23.9 -0.2 17 18 A A H >>S+ 0 0 11 -11,-0.4 4,-3.0 -2,-0.4 5,-1.3 0.896 88.3 74.0 -59.7 -44.0 45.7 26.7 1.5 18 19 A I H 45S+ 0 0 50 1,-0.2 -1,-0.2 2,-0.2 109,-0.0 -0.971 113.5 6.6-102.5 119.6 45.6 24.8 4.7 19 20 A P H >5S+ 0 0 68 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 -0.963 128.5 56.7-103.8 9.1 47.6 22.5 4.6 20 21 A S H <5S+ 0 0 14 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.814 127.5 10.1 -69.9 -34.1 49.4 23.1 1.4 21 22 A Y T <5S+ 0 0 0 -4,-3.0 3,-0.5 -5,-0.4 106,-0.2 0.416 107.4 85.2-122.1 -2.7 50.6 26.7 2.0 22 23 A S T 4 -AB 28 108A 0 4,-0.5 4,-2.1 -3,-0.5 3,-0.4 -0.736 64.5 -40.5-101.3 133.5 55.4 25.5 3.9 25 26 A G T 4 S- 0 0 9 82,-2.6 85,-0.1 -2,-0.4 90,-0.1 -0.154 100.6 -43.7 57.1-147.1 59.1 26.3 4.0 26 27 A a T 4 S+ 0 0 9 9,-0.1 7,-0.6 1,-0.1 -1,-0.2 0.679 135.5 27.4 -92.2 -17.2 60.4 29.2 6.0 27 28 A Y T > S+ 0 0 7 -3,-0.4 4,-1.1 4,-0.3 2,-0.7 0.565 86.4 102.0-124.5 -13.6 57.9 31.8 5.0 28 29 A b B < S-A 24 0A 3 -4,-2.1 -4,-0.5 2,-0.2 2,-0.4 -0.704 100.9 -10.3 -86.6 117.3 54.5 30.2 4.2 29 30 A G T 4 S+ 0 0 12 -2,-0.7 97,-0.3 -6,-0.2 98,-0.2 -0.397 151.0 18.9 101.8 -53.9 52.0 30.5 6.9 30 31 A W T 4 S+ 0 0 201 -2,-0.4 -2,-0.2 -6,-0.2 -1,-0.1 -0.323 86.3 172.2-145.8 48.4 54.2 31.8 9.8 31 32 A G < + 0 0 21 -4,-1.1 -4,-0.3 1,-0.1 3,-0.1 0.221 15.7 136.0 -47.2-177.2 57.2 33.0 7.8 32 33 A G + 0 0 45 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.108 56.1 4.0 162.6 -53.3 59.9 34.9 9.6 33 34 A K S S+ 0 0 96 -7,-0.6 85,-0.2 85,-0.1 -1,-0.1 -0.964 76.7 52.4-156.4 169.7 63.5 34.1 8.9 34 35 A G S S- 0 0 1 83,-3.7 83,-0.1 -2,-0.3 85,-0.1 -0.183 84.8 -49.8 92.5 174.7 66.0 32.2 6.8 35 36 A T - 0 0 104 81,-0.3 -9,-0.1 83,-0.1 81,-0.1 -0.781 65.9-106.3 -86.5 128.4 66.6 31.7 3.1 36 37 A P - 0 0 12 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.297 25.0-137.1 -53.9 140.5 63.4 30.7 1.2 37 38 A K S S- 0 0 73 70,-0.1 2,-0.3 1,-0.0 -12,-0.1 0.716 70.2 -20.0 -76.0 -27.3 63.6 27.0 0.4 38 39 A D S > S- 0 0 19 1,-0.0 4,-2.1 69,-0.0 5,-0.1 -0.904 84.2 -70.5-166.2 179.9 62.2 27.3 -3.2 39 40 A A H > S+ 0 0 14 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.885 128.3 51.9 -56.5 -44.0 60.2 29.5 -5.6 40 41 A T H > S+ 0 0 0 59,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.939 109.9 49.4 -59.1 -46.6 56.9 28.8 -3.7 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 107.7 55.1 -61.1 -36.1 58.6 29.8 -0.4 42 43 A R H X S+ 0 0 136 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.860 101.2 58.2 -64.1 -35.3 59.8 32.9 -2.2 43 44 A c H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.922 109.2 45.0 -59.7 -43.8 56.2 33.7 -3.1 44 45 A b H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.885 109.7 54.7 -68.7 -37.3 55.5 33.7 0.6 45 46 A F H X S+ 0 0 23 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.960 111.6 44.4 -55.1 -51.6 58.5 35.8 1.5 46 47 A V H X S+ 0 0 92 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.900 112.7 52.1 -62.6 -40.1 57.4 38.4 -1.0 47 48 A H H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.903 107.9 51.3 -62.8 -41.1 53.9 38.2 0.3 48 49 A D H X S+ 0 0 51 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.925 112.1 46.7 -61.5 -42.7 55.1 38.7 3.8 49 50 A d H X S+ 0 0 15 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.901 108.8 56.8 -66.2 -37.1 57.0 41.8 2.7 50 51 A e H >< S+ 0 0 30 -4,-2.8 3,-0.6 1,-0.2 -2,-0.2 0.928 109.9 42.8 -60.4 -44.9 53.9 43.0 0.8 51 52 A Y H >< S+ 0 0 48 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.862 108.5 60.9 -67.6 -38.8 51.9 42.9 4.0 52 53 A G H 3< S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.735 93.2 63.5 -59.6 -25.4 54.9 44.5 5.8 53 54 A N T << S+ 0 0 109 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.497 101.2 57.5 -70.5 -12.7 54.6 47.5 3.5 54 55 A L X + 0 0 8 -3,-2.1 3,-2.1 -5,-0.1 -1,-0.2 -0.548 58.1 156.9-120.6 58.9 51.0 48.0 5.1 55 56 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.754 77.2 50.5 -64.6 -14.8 51.7 48.4 8.9 56 59 A D T 3 S+ 0 0 148 -3,-0.1 2,-0.3 2,-0.0 25,-0.1 0.156 99.8 80.5-111.0 19.8 48.4 50.3 9.4 57 61 A f S < S- 0 0 12 -3,-2.1 -3,-0.1 -6,-0.2 25,-0.0 -0.784 71.1-138.9-112.2 169.0 46.3 47.7 7.5 58 67 A N >> + 0 0 105 -2,-0.3 4,-2.7 1,-0.1 3,-0.9 -0.711 21.1 176.0-132.7 77.2 44.9 44.4 8.9 59 68 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.743 74.8 60.5 -57.7 -29.0 45.3 41.7 6.2 60 69 A K T 34 S+ 0 0 144 -59,-0.2 -58,-2.6 1,-0.1 -57,-0.4 0.874 122.5 17.1 -68.1 -37.4 44.0 38.8 8.3 61 70 A S T <4 S+ 0 0 84 -3,-0.9 2,-0.5 -60,-0.2 -1,-0.1 0.649 96.7 98.7-110.8 -25.0 40.6 40.3 9.0 62 71 A D < - 0 0 36 -4,-2.7 2,-0.4 1,-0.1 -5,-0.0 -0.594 62.2-145.5 -78.3 121.9 39.9 43.0 6.4 63 72 A R - 0 0 171 -2,-0.5 2,-0.3 -62,-0.0 19,-0.1 -0.719 15.1-170.2 -88.7 128.2 37.8 41.8 3.5 64 73 A Y - 0 0 2 -2,-0.4 2,-0.4 18,-0.1 13,-0.1 -0.730 18.9-124.1-107.6 163.4 38.4 43.1 0.0 65 74 A K + 0 0 125 11,-0.4 11,-2.7 -2,-0.3 2,-0.3 -0.895 35.1 160.6-109.0 139.7 36.3 42.6 -3.0 66 75 A Y E -C 75 0B 36 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.976 19.4-150.8-148.7 164.4 37.6 41.2 -6.3 67 76 A K E -C 74 0B 102 7,-2.4 7,-2.8 -2,-0.3 2,-0.5 -0.866 18.2-123.0-132.9 165.2 36.2 39.5 -9.4 68 77 A R E -C 73 0B 74 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.952 16.1-163.5-112.2 125.3 37.4 37.0 -12.0 69 78 A V E > S-C 72 0B 69 3,-2.3 3,-1.7 -2,-0.5 2,-0.4 -0.916 77.6 -51.3-110.9 89.5 37.3 38.4 -15.5 70 79 A N T 3 S- 0 0 161 -2,-0.7 0, 0.0 1,-0.3 0, 0.0 -0.637 124.5 -26.1 64.6-121.6 37.5 35.1 -17.3 71 80 A G T 3 S+ 0 0 53 -2,-0.4 -1,-0.3 -3,-0.2 0, 0.0 0.716 115.6 108.8 -87.2 -19.2 40.6 33.8 -15.3 72 81 A A E < -C 69 0B 53 -3,-1.7 -3,-2.3 -4,-0.1 2,-0.6 -0.248 66.0-133.3 -64.3 137.7 42.0 37.2 -14.5 73 82 A I E -C 68 0B 9 -5,-0.2 2,-0.5 17,-0.1 -5,-0.2 -0.842 24.6-173.2 -88.8 123.5 41.9 38.4 -10.9 74 83 A V E -C 67 0B 51 -7,-2.8 -7,-2.4 -2,-0.6 2,-0.3 -0.958 17.0-142.0-123.8 111.2 40.7 42.0 -10.7 75 84 A g E -C 66 0B 22 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.2 -0.583 20.8-141.1 -69.3 129.9 40.8 43.8 -7.4 76 85 A E - 0 0 78 -11,-2.7 -11,-0.4 -2,-0.3 2,-0.2 -0.599 29.6 -87.0 -93.9 156.9 37.7 46.0 -7.0 77 86 A K + 0 0 190 -2,-0.2 2,-0.2 -13,-0.1 -1,-0.1 -0.467 66.7 133.0 -73.3 123.4 37.8 49.5 -5.4 78 88 A G - 0 0 34 1,-0.4 2,-0.1 -2,-0.2 -14,-0.1 -0.399 65.0 -29.1-130.0-139.6 37.4 49.5 -1.6 79 89 A T > - 0 0 71 -2,-0.2 4,-2.7 1,-0.1 -1,-0.4 -0.383 67.2-105.1 -72.8 164.0 39.3 51.2 1.0 80 90 A S H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 123.3 50.3 -56.2 -47.2 43.0 51.9 0.4 81 91 A f H > S+ 0 0 25 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.918 110.2 49.6 -55.9 -48.9 44.0 49.1 2.8 82 92 A E H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.930 110.8 49.6 -57.8 -44.0 41.6 46.7 1.0 83 93 A N H X S+ 0 0 41 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.921 114.9 43.6 -58.9 -45.9 43.0 47.6 -2.4 84 94 A R H X S+ 0 0 133 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.885 113.6 50.0 -70.7 -41.7 46.6 47.1 -1.3 85 95 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.943 110.0 52.4 -61.5 -43.8 45.9 43.9 0.6 86 96 A g H X S+ 0 0 1 -4,-2.9 4,-3.2 -5,-0.3 5,-0.2 0.936 107.5 51.0 -59.9 -43.1 44.1 42.5 -2.5 87 97 A E H X S+ 0 0 98 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.883 109.3 51.8 -63.9 -37.7 47.0 43.3 -4.7 88 98 A e H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.913 114.0 42.6 -59.8 -48.8 49.3 41.5 -2.3 89 99 A D H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.907 111.3 54.2 -67.5 -42.9 47.1 38.4 -2.2 90 100 A K H X S+ 0 0 54 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.925 109.5 49.4 -55.1 -49.0 46.5 38.4 -6.0 91 101 A A H X S+ 0 0 55 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.920 111.0 49.2 -58.3 -45.7 50.3 38.5 -6.5 92 102 A A H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.927 110.8 49.5 -62.0 -43.8 50.8 35.5 -4.1 93 103 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.911 114.0 45.5 -63.4 -43.6 48.1 33.4 -5.8 94 104 A I H X S+ 0 0 68 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.911 112.4 51.9 -62.9 -43.8 49.6 34.1 -9.2 95 105 A c H X S+ 0 0 35 -4,-3.0 4,-1.1 -5,-0.2 -2,-0.2 0.912 109.1 49.8 -60.6 -43.7 53.1 33.4 -7.8 96 106 A F H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 4,-0.3 0.932 111.9 48.7 -60.5 -44.7 51.8 30.0 -6.4 97 107 A R H >< S+ 0 0 128 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.906 109.1 52.3 -60.8 -42.4 50.3 29.1 -9.7 98 108 A Q H 3< S+ 0 0 146 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.695 115.9 41.2 -68.7 -19.9 53.5 30.0 -11.6 99 109 A N T XX S+ 0 0 31 -4,-1.1 3,-1.8 -3,-0.7 4,-0.7 0.223 74.7 107.2-115.4 15.6 55.5 27.8 -9.3 100 110 A L G X4 S+ 0 0 47 -3,-1.1 3,-0.7 -4,-0.3 -1,-0.1 0.829 72.7 71.5 -61.5 -27.3 53.3 24.7 -8.9 101 111 A N G 34 S+ 0 0 132 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.692 109.2 29.4 -60.5 -24.3 55.8 23.0 -11.2 102 112 A T G <4 S+ 0 0 66 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.335 84.8 132.0-118.8 3.6 58.4 23.0 -8.4 103 113 A Y << - 0 0 28 -4,-0.7 2,-0.4 -3,-0.7 3,-0.0 -0.355 40.7-161.1 -53.5 133.8 56.1 22.8 -5.4 104 114 A S > - 0 0 36 1,-0.1 3,-2.5 0, 0.0 4,-0.2 -0.966 24.4-150.8-131.5 124.8 57.4 20.1 -3.1 105 115 A K G > S+ 0 0 162 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.738 92.2 77.0 -58.8 -24.5 55.6 18.2 -0.3 106 116 A K G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -82,-0.0 -3,-0.0 0.655 89.8 57.1 -60.6 -16.2 58.8 17.8 1.5 107 117 A Y G X S+ 0 0 38 -3,-2.5 -82,-2.6 3,-0.1 3,-1.1 0.426 78.1 109.8 -97.4 0.4 58.6 21.4 2.6 108 118 A M B < S+B 24 0A 49 -3,-1.9 -84,-0.2 1,-0.3 -88,-0.1 -0.573 90.3 11.6 -72.5 141.1 55.2 21.1 4.3 109 119 A L T 3 S- 0 0 141 -86,-1.6 -1,-0.3 -2,-0.2 -85,-0.2 0.843 89.3-175.3 57.9 36.2 55.6 21.4 8.1 110 120 A Y < - 0 0 48 -87,-1.3 -1,-0.2 -3,-1.1 2,-0.2 -0.416 27.2-112.1 -65.4 131.6 59.2 22.6 7.6 111 121 A P > - 0 0 55 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.474 13.5-128.7 -76.5 141.2 60.9 23.0 11.0 112 122 A D G > S+ 0 0 120 1,-0.3 3,-2.4 -2,-0.2 -2,-0.1 0.801 100.4 66.5 -51.9 -43.5 61.8 26.4 12.3 113 124 A F G 3 S+ 0 0 135 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.693 92.6 62.6 -63.1 -16.7 65.5 25.6 13.2 114 125 A L G < S+ 0 0 64 -3,-1.6 2,-0.6 1,-0.1 -1,-0.3 0.362 91.5 75.7 -87.1 8.3 66.3 25.1 9.5 115 126 A a < + 0 0 9 -3,-2.4 2,-0.4 -81,-0.1 -81,-0.2 -0.908 64.1 159.4-121.7 99.9 65.4 28.7 8.8 116 127 A K + 0 0 138 -2,-0.6 -81,-0.3 -83,-0.1 -3,-0.0 -0.942 30.5 33.3-127.6 144.4 68.2 31.1 10.0 117 128 A G S S- 0 0 48 -2,-0.4 -83,-3.7 -83,-0.1 2,-0.5 0.074 76.2 -86.6 100.1 151.0 69.2 34.6 9.2 118 129 A E - 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