==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-APR-08 3CXI . COMPND 2 MOLECULE: MYOTOXIC PHOSPHOLIPASE A2-LIKE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTHROPS JARARACUSSU; . AUTHOR J.I.DOS SANTOS,M.R.M.FONTES . 242 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 62.0 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 . 16 6.6 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 . 2 0.8 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 36.8 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 1 1 0 0 0 2 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 . 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 0, 0.0 4,-2.5 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 177.2 26.9 29.0 28.7 2 2 A L H 3> + 0 0 85 58,-2.2 4,-3.0 1,-0.3 5,-0.2 0.763 360.0 62.0 -52.7 -29.0 23.8 30.5 27.0 3 3 A F H 3> S+ 0 0 60 57,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.908 108.4 39.1 -66.0 -42.8 22.8 27.0 26.2 4 4 A E H <> S+ 0 0 23 -3,-1.1 4,-3.1 2,-0.2 5,-0.2 0.931 117.3 51.0 -71.0 -44.8 22.5 25.9 29.8 5 5 A L H X S+ 0 0 20 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.952 112.2 46.5 -54.0 -51.9 21.0 29.2 30.7 6 6 A G H X S+ 0 0 17 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.932 112.8 49.9 -58.1 -45.8 18.4 29.0 28.0 7 7 A K H X S+ 0 0 119 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.905 110.5 49.7 -61.6 -41.5 17.6 25.4 28.9 8 8 A M H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.3 0.934 111.5 48.3 -63.3 -44.6 17.1 26.3 32.5 9 9 A I H X>S+ 0 0 11 -4,-2.7 4,-3.2 -5,-0.2 5,-0.6 0.937 112.6 49.3 -61.5 -42.8 14.9 29.1 31.7 10 10 A L H X5S+ 0 0 71 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.945 114.1 46.4 -59.5 -47.1 13.0 26.8 29.4 11 11 A Q H <5S+ 0 0 48 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.885 119.4 37.7 -62.8 -43.1 12.7 24.2 32.1 12 12 A E H <5S+ 0 0 21 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.900 130.8 27.1 -77.7 -42.5 11.7 26.6 34.9 13 13 A T H <5S- 0 0 14 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.696 88.5-136.2 -95.4 -24.9 9.4 28.8 32.9 14 15 A G << + 0 0 57 -4,-2.5 2,-0.3 -5,-0.6 -4,-0.2 0.463 66.8 122.8 80.2 2.3 8.3 26.6 30.2 15 16 A K S S- 0 0 85 -6,-0.6 -1,-0.3 1,-0.1 -2,-0.2 -0.728 79.7 -98.3-104.0 147.0 8.8 29.5 27.9 16 17 A N > - 0 0 59 -2,-0.3 4,-2.9 1,-0.2 5,-0.4 -0.460 38.6-145.7 -59.4 113.3 11.0 29.7 24.8 17 18 A P H >>S+ 0 0 26 0, 0.0 4,-2.5 0, 0.0 5,-0.6 0.852 92.7 45.3 -49.7 -48.7 14.1 31.4 26.5 18 19 A A H >5S+ 0 0 36 3,-0.2 4,-1.6 2,-0.2 5,-0.4 0.946 115.1 46.3 -68.4 -46.9 15.0 33.5 23.5 19 20 A K H 45S+ 0 0 92 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.960 126.1 27.8 -62.3 -52.8 11.6 34.6 22.7 20 21 A S H <5S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.1 -1,-0.2 0.840 140.3 14.9 -79.6 -33.3 10.6 35.6 26.2 21 22 A Y H <5S+ 0 0 11 -4,-2.5 3,-0.5 -5,-0.4 -3,-0.2 0.466 95.8 90.6-125.5 -0.3 13.9 36.4 27.8 22 23 A G S <> -A 28 0A 0 4,-2.3 4,-2.2 -3,-0.5 3,-0.6 -0.989 61.4 -34.5-141.9 134.9 13.2 41.7 27.8 25 26 A G T 34 S- 0 0 7 82,-2.3 -1,-0.1 -2,-0.3 10,-0.1 -0.058 101.2 -47.7 55.7-150.1 13.3 44.8 29.7 26 27 A a T 34 S+ 0 0 12 9,-0.2 -1,-0.2 8,-0.1 92,-0.1 0.508 135.6 32.9 -97.3 -4.7 16.6 46.5 30.6 27 28 A N T <4 S+ 0 0 1 -3,-0.6 2,-0.7 6,-0.2 -2,-0.2 0.587 89.2 87.5-128.8 -18.9 18.4 43.4 31.8 28 29 A b B < S+A 24 0A 8 -4,-2.2 -4,-2.3 3,-0.0 2,-0.3 -0.821 92.0 11.2 -89.9 116.3 17.3 40.3 30.1 29 30 A G S S- 0 0 31 -2,-0.7 -6,-0.2 -6,-0.2 3,-0.1 -0.897 108.4 -21.3 124.1-156.2 19.4 39.8 27.0 30 31 A V S S+ 0 0 97 -8,-0.5 152,-0.0 -2,-0.3 0, 0.0 -0.076 99.2 63.1 -78.2-172.3 22.6 41.5 25.7 31 32 A L S S- 0 0 45 151,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.851 93.8-100.1 64.4 47.5 23.8 44.9 26.8 32 33 A G - 0 0 41 -3,-0.1 2,-0.2 -5,-0.0 16,-0.1 0.075 65.4 -38.4 45.7-153.7 24.5 44.7 30.5 33 34 A R + 0 0 43 85,-0.1 85,-0.5 15,-0.1 2,-0.3 -0.506 47.7 176.5-105.3 170.7 22.0 46.0 33.0 34 35 A G - 0 0 1 83,-0.2 83,-0.2 -2,-0.2 -8,-0.1 -0.946 55.5 -57.9-159.9 166.7 19.6 48.9 33.3 35 36 A K S S- 0 0 30 81,-2.5 81,-0.3 -2,-0.3 -9,-0.2 -0.339 72.3-109.4 -51.8 124.7 17.0 50.0 35.9 36 37 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.363 20.5-153.3 -63.4 138.2 14.7 47.0 35.9 37 38 A K S S- 0 0 77 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.816 71.2 -26.0 -78.3 -32.7 11.3 47.5 34.3 38 39 A D S > S- 0 0 21 1,-0.1 4,-2.7 69,-0.0 5,-0.2 -0.899 82.3 -66.8-162.5-170.7 9.7 44.8 36.5 39 40 A A H > S+ 0 0 19 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.943 128.1 50.5 -60.5 -50.0 10.2 41.6 38.5 40 41 A T H > S+ 0 0 0 59,-0.3 4,-1.4 1,-0.2 3,-0.4 0.958 113.1 46.4 -49.8 -52.5 11.1 39.6 35.5 41 42 A D H > S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.864 107.8 57.3 -59.2 -39.8 13.6 42.2 34.4 42 43 A R H X S+ 0 0 120 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.875 98.8 60.2 -61.5 -37.3 15.0 42.3 37.9 43 44 A c H X S+ 0 0 3 -4,-2.3 4,-2.6 -3,-0.4 -1,-0.2 0.946 108.8 43.7 -53.2 -46.1 15.7 38.6 37.7 44 45 A b H X S+ 0 0 8 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.832 110.6 55.3 -69.2 -31.7 17.9 39.3 34.8 45 46 A Y H X S+ 0 0 33 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.969 111.0 43.1 -62.9 -53.7 19.4 42.3 36.6 46 47 A V H X S+ 0 0 86 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.892 112.9 56.7 -56.3 -40.8 20.3 40.1 39.6 47 48 A H H X S+ 0 0 15 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.921 105.9 47.1 -60.3 -47.5 21.5 37.5 37.0 48 49 A K H X S+ 0 0 31 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.916 112.6 49.8 -63.3 -38.5 23.9 39.9 35.4 49 50 A d H X S+ 0 0 10 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.873 107.5 55.5 -64.1 -36.3 25.2 41.0 38.8 50 51 A e H >X S+ 0 0 27 -4,-2.5 3,-0.9 1,-0.2 4,-0.6 0.937 105.8 51.1 -60.7 -45.4 25.6 37.3 39.6 51 52 A Y H >< S+ 0 0 43 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.850 99.7 65.4 -58.7 -36.1 27.8 36.9 36.5 52 53 A K H 3< S+ 0 0 138 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.840 96.2 56.6 -56.7 -34.4 29.9 39.9 37.6 53 57 A K H << S+ 0 0 130 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.706 86.3 104.8 -70.5 -21.8 31.1 37.9 40.6 54 58 A L << + 0 0 20 -3,-1.3 2,-0.3 -4,-0.6 27,-0.1 -0.205 44.9 178.4 -63.4 151.9 32.4 35.1 38.4 55 59 A T + 0 0 120 3,-0.0 26,-0.1 0, 0.0 3,-0.1 -0.910 62.6 28.0-154.9 125.6 36.1 34.6 37.8 56 60 A G S S+ 0 0 71 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.354 106.6 70.9 105.1 -5.9 37.7 31.9 35.8 57 61 A f S S- 0 0 19 24,-0.1 -1,-0.2 5,-0.0 3,-0.1 -0.997 73.7-122.0-149.1 155.0 34.9 31.2 33.4 58 67 A D > - 0 0 81 -2,-0.3 4,-2.3 1,-0.2 -7,-0.0 -0.792 17.5-160.3 -93.2 101.7 32.9 32.6 30.5 59 68 A P T 4 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -8,-0.0 0.757 91.5 42.4 -52.5 -24.7 29.2 32.8 31.5 60 69 A K T 4 S+ 0 0 24 -59,-0.2 -58,-2.2 -58,-0.1 -57,-0.3 0.920 127.0 22.7 -89.8 -45.1 28.3 33.0 27.8 61 70 A K T 4 S+ 0 0 57 -60,-0.2 2,-0.5 -59,-0.1 -58,-0.1 0.806 94.8 94.2 -95.1 -33.5 30.5 30.3 26.2 62 71 A D < - 0 0 56 -4,-2.3 2,-0.1 1,-0.0 -5,-0.0 -0.503 62.2-153.6 -67.6 113.8 31.5 27.9 28.9 63 72 A R + 0 0 155 -2,-0.5 2,-0.3 -60,-0.1 -5,-0.1 -0.434 18.1 179.5 -79.3 158.9 29.1 25.0 28.9 64 73 A Y - 0 0 18 -2,-0.1 2,-0.4 -63,-0.1 19,-0.0 -0.939 24.9-101.6-152.0 174.4 28.7 23.2 32.2 65 74 A S + 0 0 66 -2,-0.3 11,-2.7 11,-0.1 2,-0.3 -0.826 39.2 152.7-110.8 144.1 26.7 20.4 33.6 66 75 A Y E -B 75 0B 24 -2,-0.4 2,-0.3 9,-0.3 9,-0.3 -0.955 27.0-135.6-154.9 164.4 23.7 20.3 35.6 67 76 A S E -B 74 0B 66 7,-2.7 7,-3.3 -2,-0.3 2,-0.8 -0.873 13.5-129.4-127.2 160.7 20.9 17.9 36.0 68 77 A W E +B 73 0B 108 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.953 41.0 169.4-108.0 106.1 17.2 18.1 36.3 69 78 A K E > -B 72 0B 45 3,-2.7 3,-0.7 -2,-0.8 -2,-0.1 -0.989 68.8 -11.5-126.7 123.1 16.4 16.1 39.4 70 79 A D T 3 S- 0 0 156 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.915 128.7 -60.8 54.8 39.9 13.0 16.1 41.0 71 80 A K T 3 S+ 0 0 160 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.845 114.9 116.7 54.9 40.6 12.3 18.9 38.6 72 81 A T E < S-B 69 0B 53 -3,-0.7 -3,-2.7 2,-0.0 2,-0.4 -0.993 72.4-115.1-137.1 140.3 14.9 21.1 40.1 73 82 A I E -B 68 0B 0 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.621 33.6-170.6 -74.6 124.0 18.1 22.4 38.4 74 83 A V E -B 67 0B 66 -7,-3.3 -7,-2.7 -2,-0.4 2,-0.1 -0.928 16.7-136.8-124.0 108.4 20.9 20.8 40.2 75 84 A g E -B 66 0B 14 -2,-0.6 -9,-0.3 -9,-0.3 2,-0.1 -0.373 18.0-127.1 -62.9 134.6 24.3 22.2 39.3 76 85 A G - 0 0 19 -11,-2.7 3,-0.2 6,-0.1 10,-0.1 -0.419 27.7-105.9 -77.8 159.0 27.0 19.7 38.7 77 86 A E + 0 0 142 1,-0.2 6,-0.3 -2,-0.1 2,-0.1 0.913 65.0 149.7 -50.4 -47.6 30.3 20.1 40.7 78 87 A N - 0 0 58 4,-0.1 -1,-0.2 5,-0.1 3,-0.0 -0.312 68.5 -55.4 48.2-112.8 32.0 21.3 37.5 79 88 A N > - 0 0 79 -3,-0.2 4,-3.0 -2,-0.1 5,-0.3 -0.882 63.0 -86.6-145.5 166.8 34.5 23.7 39.0 80 90 A P H > S+ 0 0 99 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.910 126.5 42.9 -48.7 -49.9 33.9 26.7 41.3 81 91 A f H > S+ 0 0 7 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.966 117.1 46.4 -62.3 -50.8 33.3 29.3 38.7 82 92 A L H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.839 114.0 48.7 -59.1 -37.5 31.1 26.9 36.6 83 93 A K H X S+ 0 0 78 -4,-3.0 4,-2.8 -6,-0.3 -1,-0.2 0.929 114.2 45.7 -69.8 -42.9 29.2 25.9 39.6 84 94 A E H X S+ 0 0 92 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.930 114.4 49.1 -62.0 -42.5 28.7 29.5 40.6 85 95 A L H X S+ 0 0 0 -4,-3.6 4,-2.7 2,-0.2 5,-0.2 0.937 110.6 49.8 -58.6 -51.1 27.8 30.3 37.0 86 96 A g H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.918 109.9 51.3 -55.6 -45.7 25.4 27.4 37.0 87 97 A E H X S+ 0 0 76 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.906 108.2 52.6 -61.0 -39.0 23.9 28.7 40.2 88 98 A e H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.951 113.4 43.5 -59.0 -50.0 23.5 32.2 38.7 89 99 A D H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.885 113.1 50.8 -61.3 -44.9 21.7 30.7 35.7 90 100 A K H X S+ 0 0 36 -4,-3.2 4,-2.6 -5,-0.2 5,-0.2 0.923 109.8 52.0 -60.9 -40.9 19.6 28.4 37.9 91 101 A A H X S+ 0 0 51 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.916 110.1 47.1 -64.0 -41.1 18.6 31.4 40.1 92 102 A V H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.905 111.1 50.9 -71.2 -35.5 17.5 33.5 37.1 93 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.934 113.6 45.6 -64.7 -43.5 15.5 30.7 35.7 94 104 A I H X S+ 0 0 41 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.947 114.2 49.3 -61.1 -46.1 13.8 30.1 39.0 95 105 A c H X S+ 0 0 29 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.916 109.8 49.8 -60.5 -46.2 13.3 33.9 39.4 96 106 A L H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.913 112.0 49.5 -60.0 -43.1 11.8 34.2 35.9 97 107 A R H >< S+ 0 0 97 -4,-2.4 3,-1.9 1,-0.2 4,-0.3 0.958 108.9 51.3 -60.8 -49.0 9.5 31.4 36.7 98 108 A E H 3< S+ 0 0 124 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.800 116.9 41.7 -58.4 -27.8 8.4 32.9 40.0 99 109 A N T >< S+ 0 0 45 -4,-1.7 3,-1.6 -5,-0.2 -59,-0.3 0.228 77.1 109.1-107.3 16.3 7.7 36.1 38.2 100 110 A L G X + 0 0 53 -3,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.832 69.0 71.3 -58.7 -31.1 6.0 34.7 35.1 101 111 A G G 3 S+ 0 0 81 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.758 105.0 35.6 -58.4 -28.2 2.8 36.1 36.5 102 112 A T G < S+ 0 0 85 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.155 82.2 139.5-110.7 13.8 3.8 39.7 35.8 103 113 A Y < - 0 0 38 -3,-1.8 2,-0.5 -4,-0.2 3,-0.1 -0.436 38.6-158.1 -57.5 134.4 5.7 39.0 32.6 104 114 A N > - 0 0 58 1,-0.1 3,-2.6 -2,-0.1 4,-0.4 -0.943 17.1-157.3-124.5 108.8 4.8 41.8 30.3 105 115 A K G > S+ 0 0 145 -2,-0.5 3,-1.4 1,-0.3 4,-0.4 0.723 90.4 73.7 -53.2 -23.1 5.2 41.2 26.5 106 116 A K G 3 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.785 96.0 50.5 -64.8 -23.1 5.4 44.9 26.1 107 117 A Y G X S+ 0 0 43 -3,-2.6 -82,-2.3 1,-0.1 3,-1.9 0.532 83.7 104.0 -88.9 -4.5 8.9 44.8 27.6 108 118 A R T < S+ 0 0 19 -3,-1.4 2,-0.5 -4,-0.4 -2,-0.1 0.914 93.3 17.3 -45.3 -76.6 9.9 42.0 25.2 109 119 A Y T 3 S+ 0 0 43 -4,-0.4 -1,-0.3 -85,-0.1 32,-0.2 -0.106 88.2 173.3 -95.5 46.3 12.1 43.8 22.7 110 120 A H < - 0 0 41 -3,-1.9 2,-0.6 -2,-0.5 30,-0.1 -0.168 40.0-110.1 -49.4 134.8 12.6 46.8 24.9 111 121 A L > - 0 0 61 1,-0.2 3,-1.6 3,-0.1 -1,-0.1 -0.613 19.1-140.2 -75.8 117.4 15.1 49.2 23.4 112 122 A K G > S+ 0 0 34 -2,-0.6 3,-0.6 1,-0.3 -1,-0.2 0.777 98.9 61.7 -43.6 -36.3 18.2 49.0 25.6 113 123 A P G 3 S+ 0 0 105 0, 0.0 2,-1.3 0, 0.0 -1,-0.3 0.858 90.9 64.5 -61.6 -39.7 18.6 52.9 25.2 114 125 A F G < S+ 0 0 147 -3,-1.6 2,-0.4 2,-0.0 -2,-0.1 -0.139 86.5 106.0 -79.6 41.8 15.3 53.6 26.9 115 126 A a S < S- 0 0 27 -2,-1.3 2,-0.1 -3,-0.6 3,-0.1 -0.990 71.9-127.0-126.1 130.4 16.9 52.1 30.0 116 127 A K - 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0 0 55 1,-0.1 -2,-0.0 -13,-0.1 -13,-0.0 -0.983 39.5-177.3-136.2 147.5 37.8 54.9 14.4 200 87 B N + 0 0 151 -2,-0.4 -1,-0.1 5,-0.0 5,-0.1 0.682 60.7 102.2-109.1 -33.6 41.4 54.8 13.5 201 88 B N S > S- 0 0 75 1,-0.1 4,-2.8 4,-0.1 5,-0.3 -0.316 77.7-132.0 -49.3 125.4 42.3 52.0 15.8 202 90 B P H > S+ 0 0 90 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 100.5 43.1 -55.2 -42.2 42.5 49.0 13.4 203 91 B m H > S+ 0 0 9 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.941 117.4 45.3 -71.5 -44.3 40.5 46.6 15.5 204 92 B L H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.851 115.6 48.9 -65.3 -34.5 37.8 49.1 16.5 205 93 B K H X S+ 0 0 75 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.949 114.9 43.2 -68.3 -50.3 37.7 50.3 12.9 206 94 B E H X S+ 0 0 93 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.911 114.3 52.3 -60.3 -42.2 37.4 46.7 11.7 207 95 B L H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.938 110.6 46.9 -58.1 -51.3 34.9 46.0 14.4 208 96 B n H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.907 112.3 50.7 -57.8 -42.2 32.8 49.0 13.4 209 97 B E H X S+ 0 0 63 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.850 106.6 53.8 -68.8 -32.9 33.0 47.9 9.8 210 98 B l H X S+ 0 0 2 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.939 113.7 43.9 -62.2 -46.7 31.9 44.4 10.7 211 99 B D H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.913 112.3 50.1 -64.2 -46.4 28.9 45.9 12.4 212 100 B K H X S+ 0 0 43 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.941 111.2 51.6 -57.3 -44.9 28.2 48.3 9.7 213 101 B A H X S+ 0 0 48 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.896 111.4 44.7 -62.0 -43.4 28.4 45.5 7.1 214 102 B V H X S+ 0 0 5 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.927 112.5 52.0 -70.4 -37.6 26.0 43.2 8.9 215 103 B A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.957 114.9 42.6 -62.0 -43.9 23.6 46.1 9.5 216 104 B I H X S+ 0 0 35 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.921 114.7 50.8 -65.2 -43.7 23.7 46.9 5.8 217 105 B j H X S+ 0 0 28 -4,-2.9 4,-1.1 -5,-0.3 -1,-0.2 0.916 107.8 51.6 -63.4 -40.7 23.5 43.4 4.9 218 106 B L H >< S+ 0 0 1 -4,-3.3 3,-0.6 1,-0.2 -1,-0.2 0.939 113.1 46.4 -63.2 -40.6 20.5 42.7 7.1 219 107 B R H >< S+ 0 0 100 -4,-2.2 3,-1.7 -5,-0.3 4,-0.3 0.938 109.2 53.7 -66.6 -43.5 18.8 45.7 5.5 220 108 B E H 3< S+ 0 0 116 -4,-3.3 -1,-0.2 1,-0.3 3,-0.2 0.671 113.5 45.2 -64.4 -17.1 19.8 44.6 2.0 221 109 B N T X< S+ 0 0 39 -4,-1.1 3,-1.9 -3,-0.6 4,-0.3 0.246 73.7 105.2-111.2 12.2 18.2 41.2 2.7 222 110 B L G X S+ 0 0 47 -3,-1.7 3,-1.1 1,-0.3 -1,-0.1 0.784 71.4 73.8 -59.9 -24.8 15.0 42.3 4.3 223 111 B G G 3 S+ 0 0 77 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.725 108.3 28.1 -62.3 -23.5 13.5 41.3 1.0 224 112 B T G < S+ 0 0 85 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.192 87.5 135.8-121.1 15.0 13.9 37.6 1.8 225 113 B Y < - 0 0 36 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.1 -0.421 38.6-161.7 -60.7 136.9 13.7 38.0 5.6 226 114 B N > - 0 0 62 1,-0.1 3,-2.6 -2,-0.1 4,-0.2 -0.958 19.6-150.8-132.7 115.0 11.4 35.2 6.8 227 115 B K G > S+ 0 0 144 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.693 91.8 74.9 -55.9 -19.8 9.8 35.4 10.2 228 116 B K G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -82,-0.0 -3,-0.0 0.671 90.0 58.9 -69.4 -13.7 9.8 31.6 10.4 229 117 B Y G X S+ 0 0 43 -3,-2.6 -82,-2.5 3,-0.1 3,-1.9 0.538 78.1 109.5 -90.8 -5.2 13.5 31.8 11.1 230 118 B R B < S+D 146 0C 53 -3,-1.7 -84,-0.3 1,-0.3 3,-0.1 -0.549 96.5 4.6 -67.5 129.1 12.9 33.9 14.1 231 119 B Y T 3 S- 0 0 35 -86,-3.6 -1,-0.3 -2,-0.3 -85,-0.2 0.801 91.8-174.5 64.8 27.3 13.7 31.6 17.0 232 120 B H < - 0 0 30 -3,-1.9 2,-0.4 -87,-0.3 -1,-0.2 -0.311 32.0-108.2 -53.4 133.2 14.9 29.0 14.6 233 121 B L > - 0 0 89 1,-0.2 3,-2.3 -3,-0.1 4,-0.4 -0.554 17.9-137.9 -75.0 123.9 15.7 25.9 16.7 234 122 B K G > S+ 0 0 86 -2,-0.4 3,-2.2 1,-0.3 -1,-0.2 0.805 98.4 69.2 -48.0 -38.9 19.4 25.3 16.8 235 123 B P G 3 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -2,-0.0 0.806 95.4 57.1 -55.8 -24.1 19.0 21.6 16.3 236 125 B F G < S+ 0 0 127 -3,-2.3 2,-0.3 2,-0.1 -2,-0.2 0.620 86.2 103.4 -80.0 -13.3 17.9 22.3 12.8 237 126 B h < - 0 0 24 -3,-2.2 2,-0.2 -4,-0.4 3,-0.1 -0.531 64.4-143.2 -74.0 131.0 21.1 24.2 12.0 238 127 B K - 0 0 119 -81,-0.3 -81,-3.6 -2,-0.3 -2,-0.1 -0.613 42.0 -76.6 -91.2 153.0 23.8 22.4 10.0 239 129 B K - 0 0 198 -2,-0.2 -83,-0.2 -83,-0.2 -1,-0.1 -0.215 53.4-120.4 -49.9 127.0 27.4 22.9 10.8 240 130 B A - 0 0 11 -85,-0.4 -83,-0.1 -83,-0.1 -1,-0.1 -0.379 27.4-104.9 -70.7 150.2 28.6 26.2 9.6 241 131 B D - 0 0 131 1,-0.1 2,-0.1 -85,-0.1 -1,-0.1 -0.380 50.8 -90.9 -66.1 156.3 31.4 26.3 7.1 242 132 B P 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -71,-0.0 -0.469 360.0 360.0 -70.6 141.1 34.7 27.4 8.7 243 133 B k 0 0 102 -2,-0.1 -2,-0.1 -3,-0.1 -72,-0.1 0.910 360.0 360.0 -54.9 360.0 35.1 31.1 8.6