==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUN-99 1QSQ . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,J.LINDSTROM,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 12 7.4 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 1 1 2 0 0 1 1 0 0 0 0 0 0 1 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 142.3 43.5 -1.8 8.9 2 2 A N > - 0 0 69 156,-0.0 4,-2.3 95,-0.0 3,-0.3 -0.910 360.0 -84.1-148.8 174.1 40.3 -0.9 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.835 122.9 53.0 -53.8 -40.2 38.2 2.3 11.2 4 4 A F H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 112.8 41.4 -66.2 -45.0 40.3 3.6 14.1 5 5 A E H > S+ 0 0 103 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.854 114.0 55.0 -69.6 -32.2 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.947 112.1 40.9 -65.6 -48.5 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.845 110.2 58.8 -68.4 -33.4 40.6 7.8 10.9 8 8 A R H X S+ 0 0 96 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.854 108.1 48.3 -65.5 -28.1 43.8 8.3 12.8 9 9 A I H < S+ 0 0 86 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.940 115.3 42.3 -75.3 -48.8 45.6 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.758 124.9 32.6 -69.9 -29.9 43.2 11.0 8.0 11 11 A E H < S- 0 0 41 -4,-2.4 19,-0.3 -5,-0.1 -1,-0.2 0.696 91.3-151.6-103.6 -24.2 42.8 13.3 11.0 12 12 A G < - 0 0 22 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.1 -0.161 23.5 -84.8 76.0-173.7 46.2 13.1 12.7 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.971 42.9 172.0-136.0 117.3 46.8 13.6 16.5 14 14 A R E -A 28 0A 135 14,-1.8 14,-2.1 -2,-0.4 4,-0.1 -0.985 19.3-164.6-129.8 125.8 47.2 17.0 18.2 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.2 12,-0.2 2,-0.4 0.474 73.9 61.3 -87.7 1.8 47.4 17.6 21.9 16 16 A K E S-C 57 0B 140 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.947 98.9 -86.4-130.4 149.5 46.8 21.3 21.7 17 17 A I E + 0 0 18 39,-1.7 2,-0.3 -2,-0.4 10,-0.2 -0.136 59.3 160.9 -49.9 144.6 43.8 23.3 20.4 18 18 A Y E -A 26 0A 28 8,-2.2 8,-3.2 6,-0.1 2,-0.4 -0.927 38.6 -99.5-157.6 173.1 44.2 23.9 16.7 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.872 29.9-139.4-106.8 139.6 42.2 24.9 13.7 20 20 A D > - 0 0 51 4,-2.4 3,-1.3 -2,-0.4 -1,-0.1 -0.073 43.6 -81.5 -80.0-171.2 40.9 22.5 11.2 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.654 133.7 50.3 -67.5 -16.4 40.9 23.1 7.5 22 22 A E T 3 S- 0 0 81 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.445 123.6-105.1 -97.1 -7.0 37.7 25.1 7.8 23 23 A G S < S+ 0 0 33 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.610 71.8 141.9 94.3 16.3 39.2 27.2 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-2.4 9,-0.0 -1,-0.3 -0.693 59.6 -97.7 -98.0 155.1 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 28 9,-0.8 8,-3.1 11,-0.4 9,-1.3 -0.421 55.7 160.3 -66.6 121.9 38.6 25.0 16.9 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-2.2 6,-0.3 2,-0.3 -0.893 18.0-174.6-138.7 166.0 39.6 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.1 -2,-0.3 -12,-0.2 -0.950 51.9 5.9-154.1 169.6 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.1 -14,-1.8 -2,-0.3 2,-1.0 -0.232 122.9 -9.7 58.1-130.4 42.9 15.3 19.6 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.621 127.6 -49.8-103.2 75.9 42.0 13.2 16.6 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-1.1 -19,-0.3 -2,-0.2 0.778 83.6 159.1 73.5 20.9 39.7 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.4 1,-0.0 -1,-0.2 -0.659 34.0-143.5 -84.8 102.3 37.4 16.3 17.7 32 32 A L E -B 26 0A 65 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.384 19.5-177.2 -62.2 129.6 35.6 19.5 16.7 33 33 A L E - 0 0 14 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.910 57.9 -25.1 -93.3 -51.4 35.2 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.3 -9,-0.8 2,-0.1 -1,-0.4 -0.986 35.0-139.4-157.7 159.3 33.3 24.7 18.4 35 35 A K S S+ 0 0 132 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.420 73.5 109.0-100.2 -2.6 32.5 26.7 15.2 36 36 A S S S- 0 0 43 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.398 75.6-127.0 -74.6 150.4 32.7 29.9 17.1 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.592 77.5 104.2 -74.6 -12.4 35.6 32.3 16.6 38 38 A S > - 0 0 48 1,-0.2 4,-1.7 2,-0.1 5,-0.2 -0.615 54.7-161.6 -85.5 122.5 36.4 32.5 20.2 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.4 1,-0.3 -1,-0.2 0.836 97.9 55.1 -62.9 -31.0 39.4 30.7 21.7 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.907 102.9 51.9 -71.3 -40.3 37.8 31.1 25.0 41 41 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.851 112.5 50.3 -62.5 -29.6 34.6 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.865 107.2 50.9 -73.4 -41.0 36.9 26.7 22.7 43 43 A K H X S+ 0 0 59 -4,-2.4 4,-2.3 1,-0.2 11,-0.2 0.940 111.0 50.7 -64.1 -41.0 38.7 26.4 25.9 44 44 A S H X S+ 0 0 73 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.921 108.8 48.6 -61.2 -47.9 35.4 26.1 27.7 45 45 A E H X S+ 0 0 70 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.903 112.3 52.9 -59.4 -40.0 34.0 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.4 0.930 107.9 47.2 -62.8 -48.9 37.3 21.5 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.3 4,-3.0 1,-0.2 5,-1.3 0.944 112.8 51.0 -59.1 -42.4 37.2 21.6 29.7 48 48 A K H <5S+ 0 0 138 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.885 110.8 48.1 -64.5 -39.4 33.6 20.5 29.6 49 49 A A H <5S+ 0 0 46 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.905 120.4 37.1 -69.0 -36.7 34.4 17.6 27.3 50 50 A I H <5S- 0 0 33 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.733 102.9-126.0 -86.5 -29.4 37.4 16.5 29.5 51 51 A G T <5S+ 0 0 67 -4,-3.0 2,-0.3 -5,-0.4 -3,-0.2 0.811 75.7 71.9 88.5 25.5 36.0 17.2 32.8 52 52 A R S - 0 0 10 -2,-1.0 3,-0.5 -11,-0.2 -1,-0.2 0.847 35.7-140.6 -94.4 -36.8 42.8 21.9 30.9 55 55 A N T 3 S- 0 0 118 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.813 70.4 -60.0 77.4 31.9 44.2 25.1 29.6 56 56 A G T 3 S+ 0 0 2 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.449 115.8 98.6 76.9 4.6 44.0 23.9 25.9 57 57 A V B < +C 16 0B 75 -3,-0.5 2,-0.3 -41,-0.2 -41,-0.2 -0.978 46.0 177.8-126.7 135.2 46.2 21.0 26.4 58 58 A I - 0 0 4 -43,-2.2 2,-0.1 -2,-0.4 -30,-0.1 -0.875 27.4-108.2-130.9 166.0 45.3 17.3 26.9 59 59 A T > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.362 33.9-107.7 -86.9 167.2 47.1 14.0 27.2 60 60 A K H > S+ 0 0 101 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.895 121.2 53.9 -60.9 -42.5 47.2 11.3 24.7 61 61 A D H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.850 107.2 51.5 -58.4 -41.3 44.9 9.2 26.7 62 62 A E H > S+ 0 0 41 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.889 109.4 50.5 -64.8 -41.1 42.4 12.0 26.8 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -34,-0.4 0.859 109.2 50.5 -62.8 -40.2 42.5 12.4 23.1 64 64 A E H X S+ 0 0 71 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.830 107.6 54.8 -72.1 -28.2 42.0 8.7 22.6 65 65 A K H X S+ 0 0 134 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.930 108.1 46.1 -70.4 -44.9 39.0 8.8 24.8 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 112.6 54.8 -60.1 -42.0 37.3 11.6 22.9 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.920 106.1 48.4 -57.7 -48.9 38.2 9.6 19.8 68 68 A N H X S+ 0 0 92 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.915 112.7 49.9 -58.8 -42.7 36.5 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.898 111.3 48.8 -63.1 -42.1 33.4 8.4 21.9 70 70 A D H X S+ 0 0 33 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.825 110.2 48.6 -71.9 -33.2 33.3 10.0 18.5 71 71 A V H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.930 112.8 50.0 -69.4 -44.1 33.6 6.8 16.5 72 72 A D H X S+ 0 0 91 -4,-2.3 4,-2.4 -5,-0.3 5,-0.3 0.956 111.5 48.6 -55.7 -48.6 30.9 5.3 18.7 73 73 A A H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.892 109.1 53.2 -60.8 -41.9 28.7 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.963 110.4 45.3 -58.3 -53.9 29.3 8.2 14.4 75 75 A V H X S+ 0 0 35 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.942 115.2 48.0 -54.8 -48.7 28.3 4.5 14.0 76 76 A R H X S+ 0 0 125 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.899 108.5 54.5 -62.1 -39.8 25.1 5.0 16.2 77 77 A G H X S+ 0 0 6 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.904 107.5 51.4 -62.1 -36.7 24.2 8.1 14.2 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 7,-0.4 0.922 110.5 47.6 -64.5 -44.1 24.4 6.0 11.0 79 79 A L H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 112.1 50.1 -71.5 -22.0 22.1 3.4 12.4 80 80 A R H 3< S+ 0 0 183 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.453 91.5 92.7 -91.0 -9.3 19.7 5.9 13.7 81 81 A N S+ 0 0 109 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.811 119.8 41.6 -85.7 -30.7 18.7 7.4 5.1 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.1 2,-0.1 3,-0.3 0.885 100.0 65.6 -85.8 -40.8 22.0 6.1 6.3 85 85 A K H X S+ 0 0 91 -4,-2.9 4,-2.5 -7,-0.4 5,-0.2 0.871 100.1 52.5 -51.9 -41.6 21.1 2.8 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.919 110.0 46.2 -65.6 -43.3 20.0 1.1 4.8 87 87 A V H X S+ 0 0 1 -4,-0.6 4,-0.8 -3,-0.3 3,-0.2 0.961 113.7 50.3 -61.1 -47.7 23.2 1.9 2.8 88 88 A Y H >< S+ 0 0 33 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.887 108.3 50.9 -55.8 -48.3 25.3 0.8 5.7 89 89 A D H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.820 108.4 55.5 -64.4 -30.3 23.5 -2.5 6.1 90 90 A S H 3< S+ 0 0 37 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.663 95.6 87.5 -71.9 -22.7 24.0 -3.1 2.4 91 91 A L S << S- 0 0 5 -3,-1.0 31,-0.0 -4,-0.8 30,-0.0 -0.493 75.1-116.8 -87.7 156.3 27.8 -2.7 2.4 92 92 A D > - 0 0 57 -2,-0.1 4,-1.5 1,-0.1 5,-0.2 -0.113 46.3 -91.1 -74.1 176.1 30.7 -5.0 3.0 93 93 A A H > S+ 0 0 82 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.853 122.4 45.4 -65.3 -34.7 33.0 -4.4 6.0 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.5 2,-0.2 3,-0.4 0.963 112.7 49.5 -71.8 -52.2 35.6 -2.1 4.4 95 95 A R H > S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.832 105.9 58.5 -56.4 -31.6 33.1 0.0 2.6 96 96 A R H X S+ 0 0 80 -4,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.926 102.2 53.9 -66.1 -39.8 31.2 0.5 5.9 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.897 104.5 54.2 -60.0 -39.2 34.4 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.885 108.5 50.2 -62.8 -36.9 34.5 4.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.912 109.3 50.0 -65.9 -44.0 30.9 5.5 5.3 100 100 A I H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.945 109.3 53.7 -63.0 -41.9 31.8 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.959 109.2 46.1 -58.5 -52.9 34.8 8.0 7.9 102 102 A M H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.902 114.9 49.7 -54.1 -42.1 32.7 10.4 5.8 103 103 A V H X S+ 0 0 8 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.903 107.0 52.3 -64.3 -43.8 30.2 10.7 8.6 104 104 A F H < S+ 0 0 32 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.846 119.0 37.0 -59.8 -37.2 32.8 11.4 11.2 105 105 A Q H < S+ 0 0 60 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.919 128.9 28.2 -81.0 -49.0 34.2 14.3 9.1 106 106 A A H X S- 0 0 39 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.169 105.5-114.7-103.3 10.2 31.1 15.8 7.6 107 107 A G H X - 0 0 36 -4,-1.3 4,-2.6 3,-0.2 5,-0.2 0.396 30.6 -87.5 63.9 151.5 28.4 15.0 10.1 108 108 A E H > S+ 0 0 58 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.827 128.3 51.3 -60.4 -39.2 25.4 12.7 9.5 109 109 A T H > S+ 0 0 108 2,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.942 109.0 54.2 -66.3 -40.7 23.2 15.4 8.0 110 110 A G H >< S+ 0 0 31 -4,-0.5 3,-1.5 1,-0.2 -2,-0.2 0.983 116.0 35.4 -53.4 -64.9 26.0 16.2 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.6 3,-3.0 1,-0.3 -2,-0.2 0.893 107.9 64.0 -58.7 -45.1 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 10 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.761 97.6 63.8 -52.7 -20.0 22.7 12.0 4.5 113 113 A G T << S+ 0 0 49 -3,-1.5 2,-1.8 -4,-1.1 -1,-0.3 0.572 74.1 88.0 -82.2 -9.5 22.5 14.8 1.9 114 114 A F <> + 0 0 45 -3,-3.0 4,-2.7 1,-0.2 3,-0.4 -0.357 56.6 160.6 -83.5 54.9 24.6 12.9 -0.8 115 115 A T H > + 0 0 94 -2,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.901 64.6 44.7 -46.0 -58.8 21.4 11.4 -2.0 116 116 A N H > S+ 0 0 95 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.821 115.0 48.6 -60.7 -34.5 22.4 10.3 -5.4 117 117 A S H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.891 108.8 52.7 -74.5 -39.8 25.7 8.8 -4.2 118 118 A L H X S+ 0 0 13 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.889 109.4 50.5 -60.7 -40.1 24.1 6.9 -1.4 119 119 A R H X S+ 0 0 124 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.935 110.7 49.3 -64.7 -40.4 21.7 5.4 -3.9 120 120 A M H <>S+ 0 0 19 -4,-1.6 5,-2.1 2,-0.2 4,-0.3 0.847 110.7 50.1 -67.8 -34.9 24.6 4.4 -6.1 121 121 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.937 109.0 51.0 -69.2 -43.2 26.4 2.9 -3.2 122 122 A Q H 3<5S+ 0 0 92 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.885 109.6 50.4 -61.3 -34.7 23.4 0.9 -2.3 123 123 A Q T 3<5S- 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.494 112.0-123.3 -80.3 -4.0 23.0 -0.3 -5.8 124 124 A K T < 5 + 0 0 94 -3,-1.6 2,-1.6 -4,-0.3 -3,-0.2 0.735 60.8 147.4 66.9 29.0 26.7 -1.3 -5.8 125 125 A R >< + 0 0 110 -5,-2.1 4,-1.9 1,-0.2 5,-0.2 -0.664 21.7 176.2 -93.8 80.0 27.6 0.8 -8.8 126 126 A W H > + 0 0 48 -2,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.866 69.0 46.4 -52.8 -53.2 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 114.1 48.8 -63.8 -40.9 32.6 3.5 -10.4 128 128 A E H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 109.0 51.6 -69.4 -33.3 29.6 5.7 -10.7 129 129 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.904 107.7 54.5 -67.7 -37.1 29.3 6.5 -7.1 130 130 A A H X S+ 0 0 10 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.949 109.6 45.6 -60.9 -48.8 33.0 7.5 -7.1 131 131 A V H >X S+ 0 0 96 -4,-2.0 3,-0.8 1,-0.2 4,-0.7 0.974 115.8 47.4 -59.8 -51.0 32.5 9.9 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.887 107.7 54.8 -60.4 -37.2 29.4 11.3 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.0 6,-0.3 1,-0.2 -1,-0.3 0.830 101.5 61.5 -67.5 -24.1 31.1 11.6 -4.9 134 134 A A H << S+ 0 0 28 -4,-1.4 2,-1.8 -3,-0.8 -1,-0.2 0.703 84.6 77.9 -74.3 -18.2 33.8 13.7 -6.5 135 135 A K S << S+ 0 0 159 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 -0.522 80.7 98.4 -89.5 68.5 31.4 16.4 -7.6 136 136 A S S > S- 0 0 19 -2,-1.8 4,-2.1 1,-0.1 3,-0.4 -0.999 82.6-119.6-151.8 156.3 31.2 17.9 -4.2 137 137 A R H > S+ 0 0 152 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.909 112.9 64.1 -59.2 -41.2 32.6 20.7 -2.1 138 138 A W H > S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 8,-0.2 0.863 106.4 41.8 -48.1 -44.7 33.8 18.0 0.3 139 139 A Y H 4 S+ 0 0 54 -3,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 0.877 113.9 52.3 -71.2 -44.0 36.2 16.6 -2.4 140 140 A N H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.3 43.4 -62.5 -36.1 37.2 20.1 -3.6 141 141 A Q H < S+ 0 0 101 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.865 131.9 19.0 -79.5 -40.6 38.2 21.3 -0.1 142 142 A T S X S+ 0 0 22 -4,-1.5 4,-2.8 -5,-0.3 3,-0.3 -0.461 74.9 162.3-129.9 67.2 40.0 18.1 1.1 143 143 A P H > + 0 0 51 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.805 68.7 51.0 -57.6 -41.8 40.9 16.3 -2.1 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.909 116.4 42.2 -69.4 -36.3 43.6 13.9 -0.9 145 145 A R H >> S+ 0 0 21 -3,-0.3 4,-2.1 2,-0.2 3,-0.7 0.970 114.4 49.4 -69.0 -52.2 41.5 12.7 1.9 146 146 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.3 5,-0.2 0.908 108.4 57.4 -49.4 -44.9 38.3 12.5 -0.2 147 147 A K H 3X S+ 0 0 84 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.3 0.863 105.5 48.8 -56.4 -40.2 40.4 10.6 -2.7 148 148 A R H > S+ 0 0 56 -2,-0.2 3,-1.6 1,-0.2 4,-0.5 0.122 72.3 124.3 -97.1 18.9 42.4 -0.7 2.1 159 159 A D G >4 + 0 0 119 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.820 65.1 56.8 -49.9 -38.9 44.8 0.0 -0.7 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.722 109.5 46.9 -70.2 -17.4 44.7 3.8 -0.4 161 161 A Y G <4 0 0 20 -3,-1.6 -1,-0.3 -13,-0.1 -2,-0.2 0.504 360.0 360.0-103.7 -0.2 45.7 3.6 3.1 162 162 A K << 0 0 206 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.838 360.0 360.0-101.2 360.0 48.6 1.2 2.5