==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-NOV-04 1XXS . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 HOMOLOG 2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTHROPS MOOJENI; . AUTHOR L.WATANABE,A.M.SOARES,R.J.WARD,M.R.FONTES,R.K.ARNI . 244 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 2 0 0 0 0 0 0 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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,-2.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 174.2 17.6 38.4 30.9 2 2 A L H > + 0 0 100 58,-2.1 4,-2.4 1,-0.2 5,-0.2 0.759 360.0 60.0 -46.2 -37.6 19.7 35.4 29.9 3 3 A F H > S+ 0 0 115 57,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.945 107.0 43.4 -64.5 -46.7 16.6 33.5 29.4 4 4 A E H > S+ 0 0 5 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.909 114.3 51.1 -62.2 -44.9 15.2 35.8 26.6 5 5 A L H X S+ 0 0 24 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.940 110.8 47.6 -55.4 -46.9 18.6 36.1 25.0 6 6 A G H X S+ 0 0 19 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 112.0 50.8 -68.9 -38.6 18.9 32.3 24.8 7 7 A K H X S+ 0 0 95 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.935 108.4 51.1 -60.7 -45.2 15.5 32.0 23.5 8 8 A M H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.909 110.6 49.3 -60.3 -42.7 16.1 34.6 20.7 9 9 A I H X>S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 5,-0.6 0.933 110.5 49.7 -65.8 -45.2 19.2 32.8 19.6 10 10 A L H X5S+ 0 0 85 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.939 113.4 48.4 -58.0 -46.6 17.4 29.5 19.5 11 11 A Q H <5S+ 0 0 33 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.937 116.7 38.4 -60.5 -46.4 14.7 31.1 17.5 12 12 A E H <5S+ 0 0 2 -4,-3.1 182,-0.4 1,-0.2 -2,-0.2 0.898 130.4 26.6 -75.0 -40.6 16.8 32.8 14.9 13 13 A T H <5S- 0 0 2 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.737 88.2-133.5 -96.6 -25.3 19.5 30.1 14.4 14 15 A G << + 0 0 31 -4,-2.1 2,-0.3 -5,-0.6 -4,-0.2 0.503 66.8 123.8 81.9 2.5 17.7 26.8 15.3 15 16 A K S S- 0 0 93 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 -0.762 78.3-102.3-103.3 146.5 20.8 25.9 17.4 16 17 A N > - 0 0 91 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 -0.476 39.4-151.5 -59.3 112.4 21.0 25.0 21.1 17 18 A P H >>S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 5,-0.5 0.866 88.8 47.2 -69.0 -36.0 22.2 28.4 22.3 18 19 A A H >5S+ 0 0 69 3,-0.2 4,-2.2 2,-0.2 5,-0.3 0.967 119.2 41.1 -65.6 -49.8 24.2 27.3 25.3 19 20 A K H 45S+ 0 0 103 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.928 125.0 36.0 -62.3 -50.1 25.9 24.4 23.3 20 21 A S H <5S+ 0 0 3 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.794 139.5 9.7 -78.2 -30.1 26.5 26.5 20.2 21 22 A Y H ><5S+ 0 0 8 -4,-2.5 3,-1.1 -5,-0.3 -3,-0.2 0.484 94.2 97.2-125.7 -7.0 27.2 29.9 21.8 22 23 A G T 3< - 0 0 0 -3,-1.1 4,-2.0 85,-0.2 3,-0.5 -0.549 61.7 -39.3 -84.9 131.2 31.9 30.3 21.5 25 26 A G T 34 S- 0 0 0 82,-1.9 85,-0.1 -2,-0.3 91,-0.1 -0.103 97.4 -52.8 61.6-151.7 34.8 32.4 20.3 26 27 A a T 34 S+ 0 0 7 9,-0.1 -1,-0.2 8,-0.1 90,-0.1 0.482 134.0 30.5-103.7 -6.4 36.1 35.2 22.3 27 28 A N T <4 S+ 0 0 0 -3,-0.5 2,-0.4 6,-0.2 -2,-0.2 0.591 88.8 98.1-125.5 -21.5 32.9 37.0 22.8 28 29 A b S < S- 0 0 0 -4,-2.0 2,-0.3 19,-0.0 -4,-0.1 -0.677 88.7 -27.0 -83.9 128.6 30.0 34.7 22.9 29 30 A G S S+ 0 0 40 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.2 -0.565 111.0 35.5 84.6-132.9 28.6 33.5 26.2 30 31 A V S S+ 0 0 91 -8,-2.4 2,-0.1 -2,-0.3 83,-0.0 -0.191 105.0 18.6 -66.0 147.1 30.6 33.3 29.5 31 32 A G S S- 0 0 61 83,-0.0 -2,-0.1 -8,-0.0 -4,-0.0 -0.456 91.3 -61.7 96.6-166.0 33.2 35.9 30.1 32 33 A G - 0 0 50 1,-0.2 2,-0.3 -2,-0.1 16,-0.1 0.116 62.2 -68.0-104.5-150.2 33.9 39.3 28.6 33 34 A R + 0 0 48 86,-0.1 86,-0.4 15,-0.1 2,-0.3 -0.683 47.5 165.3-102.6 165.5 34.7 40.6 25.1 34 35 A G - 0 0 1 -2,-0.3 84,-0.2 84,-0.2 -8,-0.1 -0.923 54.7 -52.6-163.6 176.9 37.8 39.9 23.1 35 36 A K S S- 0 0 120 82,-3.0 82,-0.2 -2,-0.3 -9,-0.1 -0.433 71.3-106.7 -64.6 129.8 38.9 40.3 19.6 36 37 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.372 19.6-153.1 -61.4 136.8 36.3 38.5 17.5 37 38 A K S S- 0 0 116 1,-0.1 2,-0.3 -2,-0.1 -12,-0.1 0.743 72.6 -24.8 -78.6 -30.8 37.2 35.1 15.9 38 39 A D S > S- 0 0 21 1,-0.1 4,-2.2 66,-0.0 5,-0.2 -0.879 86.5 -66.1-167.0-172.1 34.8 35.4 13.0 39 40 A A H > S+ 0 0 21 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.915 129.5 52.9 -63.0 -41.9 31.6 37.0 12.0 40 41 A T H > S+ 0 0 0 59,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.948 110.8 47.5 -54.5 -49.1 29.6 34.9 14.6 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.871 106.7 57.1 -63.7 -34.5 32.0 36.1 17.3 42 43 A R H X S+ 0 0 132 -4,-2.2 4,-2.6 1,-0.3 5,-0.3 0.878 100.0 58.4 -66.8 -38.3 31.7 39.7 16.1 43 44 A c H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.947 108.2 47.0 -50.3 -46.9 27.9 39.5 16.6 44 45 A b H X S+ 0 0 10 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.838 109.9 52.7 -71.2 -34.5 28.6 38.7 20.3 45 46 A Y H X S+ 0 0 35 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.932 109.3 48.2 -57.1 -49.4 31.2 41.5 20.6 46 47 A V H X S+ 0 0 89 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.909 111.2 53.7 -67.6 -35.2 28.7 44.0 19.3 47 48 A H H X S+ 0 0 16 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.902 105.5 49.7 -62.0 -48.3 26.2 42.6 21.8 48 49 A K H X S+ 0 0 33 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.849 112.5 49.9 -61.7 -34.4 28.3 42.9 24.9 49 50 A d H X S+ 0 0 20 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.851 105.1 56.7 -67.3 -39.3 29.0 46.6 23.8 50 51 A e H >< S+ 0 0 24 -4,-2.1 3,-0.8 -5,-0.2 4,-0.3 0.938 106.6 49.5 -57.1 -45.4 25.4 47.0 23.4 51 52 A Y H >< S+ 0 0 38 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.833 102.9 63.6 -57.6 -36.4 25.0 45.9 27.1 52 53 A K H 3< S+ 0 0 136 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.770 97.8 53.3 -65.7 -27.2 27.6 48.4 28.2 53 57 A K T << S+ 0 0 122 -4,-1.0 -1,-0.3 -3,-0.8 2,-0.2 0.622 87.6 105.0 -90.3 -1.2 25.7 51.4 27.2 54 58 A L < - 0 0 18 -3,-1.3 2,-0.4 -4,-0.3 27,-0.1 -0.519 45.0-179.1 -76.4 140.0 22.6 50.4 29.1 55 59 A T + 0 0 116 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 -0.992 58.1 31.9-131.8 144.1 21.7 52.1 32.4 56 60 A G S S+ 0 0 80 -2,-0.4 2,-0.3 1,-0.1 26,-0.1 0.302 106.4 56.6 107.3 -7.7 18.8 51.5 34.7 57 61 A f S S- 0 0 23 24,-0.1 -1,-0.1 5,-0.0 -3,-0.0 -0.975 79.4-112.9-151.1 161.1 18.3 47.8 34.3 58 67 A D > - 0 0 59 -2,-0.3 4,-2.9 1,-0.1 3,-0.4 -0.842 20.0-157.2-103.5 111.7 20.3 44.6 34.7 59 68 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.837 89.5 43.5 -56.2 -39.0 20.8 42.9 31.3 60 69 A K T 4 S+ 0 0 112 -59,-0.2 -58,-2.1 1,-0.1 -57,-0.3 0.807 126.5 26.5 -79.7 -29.5 21.5 39.4 32.7 61 70 A K T 4 S+ 0 0 146 -3,-0.4 2,-0.4 -60,-0.2 -1,-0.1 0.758 95.3 91.7-107.8 -31.8 18.7 39.3 35.3 62 71 A D < - 0 0 61 -4,-2.9 2,-0.1 1,-0.1 -5,-0.0 -0.545 65.3-141.0 -83.9 125.9 16.0 41.6 34.2 63 72 A R - 0 0 145 -2,-0.4 2,-0.3 -60,-0.0 -2,-0.1 -0.377 21.7-179.3 -76.9 152.1 13.3 40.0 32.1 64 73 A Y - 0 0 20 -63,-0.1 2,-0.4 -2,-0.1 19,-0.0 -0.948 23.9-113.1-141.5 170.2 11.8 41.9 29.3 65 74 A S + 0 0 51 -2,-0.3 11,-2.9 12,-0.1 12,-0.5 -0.802 35.8 158.1-111.2 144.0 9.1 41.0 26.8 66 75 A Y E -B 75 0B 40 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.966 24.1-137.3-149.7 168.2 9.3 40.4 23.2 67 76 A S E -B 74 0B 35 7,-2.1 7,-2.9 -2,-0.3 2,-0.7 -0.868 13.8-129.7-130.0 159.7 7.2 38.6 20.6 68 77 A W E +B 73 0B 33 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.954 36.6 176.2-108.6 104.2 7.9 36.3 17.6 69 78 A K E > -B 72 0B 121 3,-3.3 3,-0.8 -2,-0.7 67,-0.1 -0.967 68.1 -20.2-121.8 113.7 5.9 37.9 14.8 70 79 A D T 3 S- 0 0 116 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.917 127.2 -54.4 49.8 46.4 6.2 36.4 11.3 71 80 A K T 3 S+ 0 0 24 64,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.774 118.0 119.8 57.2 34.8 9.4 34.7 12.4 72 81 A T E < -B 69 0B 61 -3,-0.8 -3,-3.3 2,-0.0 2,-0.5 -0.979 66.3-126.2-126.4 137.8 10.7 38.2 13.4 73 82 A I E -B 68 0B 0 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.704 28.1-171.4 -81.8 128.3 11.8 39.2 16.9 74 83 A V E -B 67 0B 53 -7,-2.9 -7,-2.1 -2,-0.5 2,-0.2 -0.947 17.9-133.4-123.4 117.0 9.9 42.3 18.0 75 84 A g E -B 66 0B 10 -2,-0.5 -9,-0.2 -9,-0.2 8,-0.1 -0.619 20.5-156.1 -76.5 139.3 10.9 44.0 21.3 76 85 A G + 0 0 30 -11,-2.9 2,-0.6 -2,-0.2 -10,-0.1 0.878 42.3 53.7 -79.1 -58.7 8.1 45.0 23.5 77 86 A E - 0 0 131 -12,-0.5 2,-0.3 2,-0.1 6,-0.2 -0.731 54.2-131.1-139.2 100.4 8.1 47.6 26.1 78 87 A N + 0 0 159 -2,-0.6 5,-0.3 4,-0.1 -1,-0.1 0.076 65.7 114.9 35.2 -80.5 8.8 51.3 26.8 79 88 A N > - 0 0 90 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 0.082 70.0-137.5 -25.0 106.1 11.0 51.2 29.9 80 89 A S H > S+ 0 0 78 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.808 95.4 47.6 -57.9 -39.9 13.9 52.7 28.0 81 90 A f H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.930 113.5 46.8 -65.5 -46.5 16.6 50.4 29.4 82 92 A L H > S+ 0 0 35 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.855 111.8 51.1 -67.4 -36.4 14.6 47.2 28.9 83 93 A K H X S+ 0 0 75 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.955 112.9 45.4 -61.7 -47.6 13.7 48.2 25.3 84 94 A E H X S+ 0 0 86 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.896 112.3 53.1 -65.0 -35.6 17.3 48.9 24.5 85 95 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.936 109.1 48.3 -62.3 -49.9 18.3 45.6 26.2 86 96 A g H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.922 110.1 51.7 -56.8 -43.1 15.8 43.8 24.0 87 97 A E H X S+ 0 0 69 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.887 107.4 54.1 -66.2 -35.0 17.2 45.5 20.9 88 98 A e H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.936 112.1 42.9 -55.0 -52.5 20.6 44.5 21.9 89 99 A D H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 112.6 52.4 -67.2 -42.6 19.6 40.8 22.2 90 100 A K H X S+ 0 0 42 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.915 107.3 52.0 -56.0 -47.1 17.5 40.9 19.0 91 101 A A H X S+ 0 0 55 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.878 110.7 49.6 -63.3 -39.8 20.4 42.3 17.0 92 102 A V H X S+ 0 0 5 -4,-1.7 4,-2.8 -5,-0.2 5,-0.2 0.913 109.2 50.2 -63.1 -41.8 22.7 39.5 18.3 93 103 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.932 114.8 43.1 -65.5 -42.8 20.3 36.7 17.5 94 104 A I H X S+ 0 0 38 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.924 113.0 53.4 -63.7 -44.5 19.8 38.0 13.9 95 105 A c H X S+ 0 0 31 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.916 108.2 49.6 -59.8 -42.4 23.5 38.6 13.6 96 106 A L H < S+ 0 0 1 -4,-2.8 4,-0.3 1,-0.2 3,-0.3 0.895 111.9 48.3 -66.4 -39.2 24.2 35.0 14.7 97 107 A R H >< S+ 0 0 41 -4,-2.1 3,-1.7 -5,-0.2 4,-0.3 0.953 108.1 54.6 -64.2 -38.9 21.7 33.6 12.2 98 108 A E H 3< S+ 0 0 106 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.765 114.3 43.4 -67.4 -19.6 23.2 35.8 9.3 99 109 A N T >< S+ 0 0 38 -4,-1.1 3,-1.6 -3,-0.3 -59,-0.3 0.269 76.0 103.7-117.0 11.4 26.5 34.3 10.1 100 110 A L G X S+ 0 0 48 -3,-1.7 3,-1.3 -4,-0.3 -1,-0.2 0.788 71.3 74.5 -58.7 -25.6 25.7 30.6 10.6 101 111 A D G 3 S+ 0 0 132 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.775 107.6 30.8 -65.4 -22.3 27.1 30.1 7.1 102 112 A T G < S+ 0 0 72 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.237 85.7 139.7-116.6 11.1 30.6 30.6 8.7 103 113 A Y < - 0 0 41 -3,-1.3 2,-0.6 -4,-0.2 3,-0.1 -0.353 40.7-150.2 -55.9 133.0 29.9 29.1 12.1 104 114 A N > - 0 0 51 1,-0.1 3,-2.3 -2,-0.1 4,-0.3 -0.904 18.1-161.3-119.0 109.9 32.8 27.1 13.2 105 115 A K G > S+ 0 0 142 -2,-0.6 3,-1.6 1,-0.3 4,-0.4 0.779 92.0 73.9 -53.0 -27.1 32.3 24.1 15.5 106 116 A K G 3 S+ 0 0 145 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.891 98.0 43.4 -55.6 -41.8 36.0 24.5 16.1 107 117 A Y G < S+ 0 0 60 -3,-2.3 -82,-1.9 1,-0.2 3,-0.6 0.447 86.8 101.4 -86.0 2.0 35.3 27.7 18.2 108 118 A R S < S+ 0 0 31 -3,-1.6 2,-0.8 -4,-0.3 -85,-0.6 0.882 85.4 33.6 -60.6 -49.7 32.3 26.2 20.1 109 119 A Y B S+a 23 0A 119 -4,-0.4 2,-1.9 -3,-0.4 -1,-0.3 -0.610 71.5 173.3-107.6 75.2 33.9 25.3 23.4 110 120 A N > + 0 0 28 -87,-3.1 3,-1.2 -2,-0.8 -3,-0.1 -0.579 7.8 165.9 -84.6 81.1 36.5 28.0 23.8 111 121 A Y T 3 S+ 0 0 178 -2,-1.9 -1,-0.2 1,-0.3 4,-0.1 0.701 70.9 70.9 -69.5 -14.9 37.6 27.2 27.3 112 122 A L T > + 0 0 124 1,-0.2 3,-1.6 -3,-0.2 -1,-0.3 0.104 57.9 122.6 -86.4 23.7 40.5 29.5 26.5 113 123 A K G X + 0 0 23 -3,-1.2 3,-2.3 1,-0.3 -1,-0.2 0.864 66.9 62.4 -54.5 -39.1 38.4 32.7 26.6 114 125 A P G 3 S+ 0 0 126 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.818 102.1 55.8 -54.8 -27.6 40.6 34.3 29.3 115 126 A A G < S+ 0 0 84 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.301 80.6 120.5 -88.2 7.2 43.3 34.1 26.6 116 127 A a S < S- 0 0 24 -3,-2.3 2,-0.1 -4,-0.1 3,-0.1 -0.425 76.7 -95.4 -68.6 151.5 41.4 36.0 24.0 117 128 A K - 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0 0 122 3,-2.5 -179,-0.1 -2,-0.6 -178,-0.1 -0.974 68.6 -12.3-128.0 120.1 17.5 27.6 7.4 193 79 B D S S- 0 0 109 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.924 127.8 -58.5 54.8 43.9 17.1 31.3 7.4 194 80 B K S S+ 0 0 24 -182,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.908 116.7 120.6 52.1 44.5 14.1 30.8 9.5 195 81 B T - 0 0 58 -3,-0.1 -3,-2.5 2,-0.0 2,-0.4 -1.000 67.2-123.3-133.3 136.1 12.7 28.7 6.7 196 82 B I E -E 191 0E 0 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.641 30.3-168.9 -74.9 131.9 11.6 25.0 7.0 197 83 B V E -E 190 0E 52 -7,-3.3 -7,-2.4 -2,-0.4 2,-0.2 -0.964 16.1-135.0-126.5 126.4 13.6 23.0 4.4 198 84 B n E -E 189 0E 17 -2,-0.5 -9,-0.2 -9,-0.2 8,-0.1 -0.558 20.6-157.9 -83.4 138.2 12.6 19.4 3.7 199 85 B G + 0 0 27 -11,-2.2 2,-0.6 -2,-0.2 -10,-0.1 0.947 41.7 54.5 -80.6 -58.7 15.5 17.0 3.5 200 86 B E - 0 0 125 -12,-0.5 2,-0.3 2,-0.1 6,-0.2 -0.731 54.5-131.1-139.2 100.4 15.6 13.8 1.8 201 87 B N + 0 0 129 -2,-0.6 5,-0.2 4,-0.1 -1,-0.1 0.075 65.0 115.9 35.1 -80.5 15.0 11.9 -1.5 202 88 B N S > S- 0 0 95 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 0.081 70.4-136.8 -25.0 105.5 12.7 8.9 -0.4 203 89 B S H > S+ 0 0 92 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.783 95.4 46.2 -57.3 -34.7 9.9 10.2 -2.5 204 90 B m H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.908 112.7 47.2 -72.2 -45.8 7.2 9.6 0.2 205 92 B L H > S+ 0 0 39 -3,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.872 112.5 52.6 -63.3 -34.3 9.1 11.1 3.1 206 93 B K H X S+ 0 0 77 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.901 111.7 44.0 -64.5 -44.4 9.9 14.1 1.0 207 94 B E H X S+ 0 0 79 -4,-1.6 4,-2.0 -5,-0.3 -2,-0.2 0.881 113.2 53.5 -72.7 -35.8 6.3 14.7 0.0 208 95 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.951 108.8 47.5 -63.3 -52.4 5.4 14.1 3.7 209 96 B n H X S+ 0 0 1 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.915 111.3 51.9 -55.7 -40.1 7.8 16.7 4.9 210 97 B E H X S+ 0 0 89 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.854 107.6 52.7 -68.7 -33.6 6.5 19.1 2.3 211 98 B l H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.958 112.4 45.1 -58.3 -52.0 3.0 18.5 3.4 212 99 B D H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.890 112.7 50.1 -63.2 -39.1 4.0 19.3 7.0 213 100 B K H X S+ 0 0 40 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 0.909 107.3 54.3 -67.6 -39.2 5.9 22.4 6.0 214 101 B A H X S+ 0 0 54 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.882 110.3 47.3 -63.7 -41.7 3.1 23.7 4.0 215 102 B V H X S+ 0 0 5 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.893 108.5 51.7 -70.5 -38.0 0.8 23.4 7.0 216 103 B A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.937 114.3 45.4 -64.2 -38.8 3.1 25.0 9.5 217 104 B I H X S+ 0 0 37 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.911 111.7 53.3 -66.3 -41.2 3.5 28.1 7.1 218 105 B j H X S+ 0 0 30 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.945 107.7 48.4 -59.9 -50.0 -0.1 28.1 6.5 219 106 B L H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.3 48.6 -58.3 -42.0 -0.9 28.3 10.3 220 107 B R H >< S+ 0 0 42 -4,-1.9 3,-1.6 1,-0.2 4,-0.3 0.920 108.9 53.2 -58.7 -44.7 1.7 31.1 10.7 221 108 B E H 3< S+ 0 0 110 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.796 114.2 43.7 -67.6 -28.0 0.2 33.0 7.8 222 109 B N T >< S+ 0 0 37 -4,-1.7 3,-2.0 -5,-0.2 -1,-0.3 0.277 75.7 106.9-104.0 14.6 -3.1 32.7 9.4 223 110 B L G X + 0 0 53 -3,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.792 68.9 73.6 -60.6 -26.0 -2.4 33.5 13.1 224 111 B D G 3 S+ 0 0 131 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.724 107.4 31.7 -63.3 -19.5 -4.0 36.8 12.6 225 112 B T G < S+ 0 0 70 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.170 84.4 136.6-119.9 8.1 -7.4 35.1 12.5 226 113 B Y < - 0 0 39 -3,-1.3 2,-0.5 -4,-0.3 3,-0.1 -0.413 42.2-152.4 -54.1 131.3 -6.6 32.3 15.0 227 114 B N > - 0 0 57 1,-0.1 3,-2.5 -2,-0.1 4,-0.3 -0.942 17.5-156.6-119.9 117.4 -9.5 31.9 17.3 228 115 B K G > S+ 0 0 143 -2,-0.5 3,-1.0 1,-0.3 4,-0.4 0.686 93.5 72.3 -58.0 -22.3 -9.1 30.5 20.9 229 116 B K G 3 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.828 98.9 45.2 -65.6 -28.2 -12.7 29.6 20.7 230 117 B Y G < S+ 0 0 48 -3,-2.5 -82,-2.4 1,-0.2 3,-0.6 0.467 88.4 96.1 -89.9 -2.2 -11.8 26.8 18.3 231 118 B R S < S+ 0 0 19 -3,-1.0 2,-0.6 -4,-0.3 -85,-0.6 0.867 88.0 33.2 -62.4 -46.1 -8.9 25.5 20.2 232 119 B Y B S+c 146 0C 117 -4,-0.4 2,-1.6 -3,-0.3 -1,-0.3 -0.669 71.8 169.5-112.5 74.5 -10.4 22.7 22.2 233 120 B N > + 0 0 24 -87,-2.8 3,-1.3 -2,-0.6 -3,-0.1 -0.602 8.2 164.8 -87.7 77.8 -13.0 21.4 19.8 234 121 B Y T 3 S+ 0 0 185 -2,-1.6 -1,-0.2 1,-0.3 -87,-0.0 0.768 70.5 75.2 -59.4 -22.6 -14.0 18.2 21.6 235 122 B L T > + 0 0 126 1,-0.2 3,-2.0 -3,-0.2 -1,-0.3 0.162 57.4 120.3 -78.0 19.7 -16.9 18.4 19.2 236 123 B K G X + 0 0 25 -3,-1.3 3,-2.5 1,-0.3 -1,-0.2 0.851 65.2 62.5 -52.4 -44.6 -14.9 17.3 16.1 237 125 B P G 3 S+ 0 0 128 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.725 101.0 58.7 -56.3 -15.9 -17.0 14.2 15.4 238 126 B A G < S+ 0 0 83 -3,-2.0 2,-0.3 2,-0.1 -2,-0.2 0.235 79.7 117.8 -94.8 11.2 -19.8 16.8 14.9 239 127 B h S < S- 0 0 26 -3,-2.5 3,-0.1 1,-0.1 -3,-0.0 -0.606 78.8-100.4 -73.3 142.6 -17.8 18.6 12.1 240 128 B K - 0 0 147 -2,-0.3 -82,-2.3 -82,-0.2 -1,-0.1 -0.323 52.2 -91.1 -60.8 141.6 -19.5 18.6 8.7 241 129 B K B -D 157 0D 171 -84,-0.2 -84,-0.2 1,-0.1 2,-0.1 -0.188 44.5-112.0 -56.8 140.7 -18.0 15.9 6.5 242 130 B A - 0 0 12 -86,-0.5 -1,-0.1 -85,-0.1 -84,-0.1 -0.454 23.5-120.4 -72.0 146.1 -15.0 17.0 4.3 243 131 B D - 0 0 116 1,-0.1 -1,-0.1 -2,-0.1 -87,-0.0 -0.450 49.0 -79.3 -71.9 161.7 -15.2 17.2 0.5 244 132 B P 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -72,-0.1 -0.295 360.0 360.0 -62.1 151.3 -12.8 15.0 -1.4 245 133 B k 0 0 109 -3,-0.1 -73,-0.1 -73,-0.1 -2,-0.1 0.830 360.0 360.0 -66.5 360.0 -9.3 16.4 -1.6